186
          1016 111283D                        186         
                                                                        
 32 33        1                 1 V2000
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M  END
> <NSC>
186 

> <STRCTYPE>
K   

$$$$
377
          1016 111283D                        377         
                                                                        
 49 52        0                 1 V2000
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M  END
> <NSC>
377 

> <STRCTYPE>
K   

$$$$
740
          1016 111283D                        740         
                                                                        
 55 57        1                 1 V2000
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M  END
> <NSC>
740 

> <STRCTYPE>
K   

$$$$
749
          1016 111283D                        749         
                                                                        
 15 16        0                 1 V2000
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> <NSC>
749 

> <STRCTYPE>
K   

$$$$
750
          1016 111283D                        750         
                                                                        
 28 27        0                 1 V2000
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M  END
> <NSC>
750 

> <STRCTYPE>
K   

$$$$
755
          1016 111283D                        755         
                                                                        
 14 15        0                 1 V2000
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M  END
> <NSC>
755 

> <STRCTYPE>
K   

$$$$
757
          1016 111283D                        757         
                                                                        
 54 56        1                 1 V2000
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M  END
> <NSC>
757 

> <STRCTYPE>
K   

$$$$
1011
          1016 111283D                        1011        
                                                                        
 46 49        1                 1 V2000
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M  END
> <NSC>
1011

> <STRCTYPE>
K   

$$$$
1026
          1016 111283D                        1026        
                                                                        
 20 20        0                 1 V2000
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M  END
> <NSC>
1026

> <STRCTYPE>
K   

$$$$
1027
          1016 111283D                        1027        
                                                                        
 16 15        0                 1 V2000
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   -0.2733    1.1664    1.9758 O   0  0  0  0  0  0  0  0  0
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   -2.8101    2.8654    2.9976 Br  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
1027

> <STRCTYPE>
K   

$$$$
1620
          1016 111283D                        1620        
                                                                        
 25 27        0                 1 V2000
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M  END
> <NSC>
1620

> <STRCTYPE>
K   

$$$$
1771
          1016 111283D                        1771        
                                                                        
 24 23        0                 1 V2000
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M  END
> <NSC>
1771

> <STRCTYPE>
K   

$$$$
1906
          1016 111283D                        1906        
                                                                        
 20 20        0                 1 V2000
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M  END
> <NSC>
1906

> <STRCTYPE>
K   

$$$$
2186
          1016 111283D                        2186        
                                                                        
 62 65        0                 1 V2000
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M  END
> <NSC>
2186

> <STRCTYPE>
K   

$$$$
2979
          1016 111283D                        2979        
                                                                        
 56 58        1                 1 V2000
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M  END
> <NSC>
2979

> <STRCTYPE>
K   

$$$$
3852
          1016 111283D                        3852        
                                                                        
 19 20        0                 1 V2000
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M  END
> <NSC>
3852

> <STRCTYPE>
K   

$$$$
3905
          1016 111283D                        3905        
                                                                        
 29 31        0                 1 V2000
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M  END
> <NSC>
3905

> <STRCTYPE>
K   

$$$$
3970
          1016 111283D                        3970        
                                                                        
 12 12        0                 1 V2000
   -0.0684    1.3285    0.0114 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
3970

> <STRCTYPE>
K   

$$$$
4114
          1016 111283D                        4114        
                                                                        
 18 18        0                 1 V2000
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M  END
> <NSC>
4114

> <STRCTYPE>
K   

$$$$
4170
          1016 111283D                        4170        
                                                                        
 21 22        0                 1 V2000
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M  END
> <NSC>
4170

> <STRCTYPE>
K   

$$$$
4280
          1016 111283D                        4280        
                                                                        
 28 30        0                 1 V2000
    0.0084    1.3399   -0.0031 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
4280

> <STRCTYPE>
K   

$$$$
4320
          1016 111283D                        4320        
                                                                        
104110        1                 1 V2000
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M  END
> <NSC>
4320

> <STRCTYPE>
K   

$$$$
4644
          1016 111283D                        4644        
                                                                        
 82 86        1                 1 V2000
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M  END
> <NSC>
4644

> <STRCTYPE>
K   

$$$$
4728
          1016 111283D                        4728        
                                                                        
  9  9        0                 1 V2000
   -0.0965    1.3884    0.0104 N   0  0  0  0  0  0  0  0  0
    1.8297   -0.2821   -0.0166 S   0  0  0  0  0  0  0  0  0
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    0.1607    0.0664    0.0009 C   0  0  0  0  0  0  0  0  0
    2.1519    1.3924   -0.0108 C   0  0  0  0  0  0  0  0  0
    3.3971    1.9238   -0.0196 N   0  0  0  0  0  0  0  0  0
   -0.5873   -0.6698    0.0040 H   0  0  0  0  0  0  0  0  0
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    4.1746    1.3453   -0.0300 H   0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  3  5  2  0  0  0  0
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M  END
> <NSC>
4728

> <STRCTYPE>
K   

$$$$
4810
          1016 111283D                        4810        
                                                                        
 33 35        0                 2 V2000
    2.8174    5.2211    0.6069 H   0  0  0  0  0  0  0  0  0
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M  CHG  4  20   1  22  -1  23   1  25  -1
M  END
> <NSC>
4810

> <STRCTYPE>
K   

$$$$
4857
          1016 111283D                        4857        
                                                                        
 19 18        0                 1 V2000
   -0.0167    1.4416   -0.0107 N   0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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M  END
> <NSC>
4857

> <STRCTYPE>
K   

$$$$
4960
          1016 111283D                        4960        
                                                                        
 17 17        0                 1 V2000
    2.3878    1.3643    0.2119 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
4960

> <STRCTYPE>
K   

$$$$
5200
          1016 111283D                        5200        
                                                                        
 27 28        0                 1 V2000
    0.2184    0.7550   -1.8686 N   0  0  0  0  0  0  0  0  0
   -0.5090    2.7355   -2.7381 N   0  0  0  0  0  0  0  0  0
    2.3367    0.5448   -1.2589 O   0  0  0  0  0  0  0  0  0
   -1.2563    3.2320   -3.1046 H   0  0  0  0  0  0  0  0  0
    2.9842    3.2491   -2.0560 N   0  0  0  0  0  0  0  0  0
    3.8623    2.6998   -1.6763 N   0  0  0  0  0  0  0  0  0
    1.4748    1.2526   -1.7242 C   0  0  0  0  0  0  0  0  0
    1.7562    2.6681   -2.1461 C   0  0  0  0  0  0  0  0  0
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    6.6526    5.0722   -1.8609 C   0  0  0  0  0  0  0  0  0
    5.1022    3.2489   -1.5732 C   0  0  0  0  0  0  0  0  0
    7.6679    4.2968   -1.3163 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
5200

> <STRCTYPE>
K   

$$$$
5354
          1016 111283D                        5354        
                                                                        
 16 16        0                 1 V2000
   -0.0471    1.3911    0.0129 C   0  0  0  0  0  0  0  0  0
    1.1550    2.0908    0.0040 C   0  0  0  0  0  0  0  0  0
   -0.0281   -0.0056    0.0037 C   0  0  0  0  0  0  0  0  0
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    2.3885    0.0322   -0.0208 C   0  0  0  0  0  0  0  0  0
   -1.2013    2.1185    0.0307 N   0  0  0  0  0  0  0  0  0
   -1.1622   -0.7641    0.0099 N   0  0  0  0  0  0  0  0  0
    1.1467    3.1407    0.0100 H   0  0  0  0  0  0  0  0  0
    1.2126   -1.7219   -0.0190 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
5354

> <STRCTYPE>
K   

$$$$
5890
          1016 111283D                        5890        
                                                                        
 41 43        1                 1 V2000
    2.3279   -5.0567    3.5926 O   0  0  0  0  0  0  0  0  0
   -0.8348   -2.5225    2.0150 O   0  0  0  0  0  0  0  0  0
    3.3122   -1.5703    0.6026 O   0  0  0  0  0  0  0  0  0
    0.1918   -2.9879    1.5816 C   0  0  0  0  0  0  0  0  0
    1.0536   -2.1910    0.6423 C   0  0  1  0  0  0  0  0  0
    0.6567   -4.3663    1.9590 C   0  0  1  0  0  0  0  0  0
    2.4844   -2.3013    1.0901 C   0  0  0  0  0  0  0  0  0
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    1.0936   -5.4562    3.9930 C   0  0  0  0  0  0  0  0  0
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    1.3710   -5.0247    0.0195 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
5890

> <STRCTYPE>
K   

$$$$
7210
          1016 111283D                        7210        
                                                                        
 26 28        0                 1 V2000
    0.1481    4.1755    0.3390 O   0  0  0  0  0  0  0  0  0
    4.6823    1.5554   -0.4060 O   0  0  0  0  0  0  0  0  0
   -0.0185    1.3239    0.2096 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
7210

> <STRCTYPE>
K   

$$$$
7364
          1016 111283D                        7364        
                                                                        
 27 28        0                 1 V2000
    1.6817    1.4574   -1.1379 C   0  0  0  0  0  0  0  0  0
    1.7080    0.0685   -1.1384 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
7364

> <STRCTYPE>
K   

$$$$
7521
          1016 111283D                        7521        
                                                                        
 80 85        1                 1 V2000
    0.3838    0.6730    1.7503 O   0  0  0  0  0  0  0  0  0
   -0.5176   -0.9575    0.4713 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
7521

> <STRCTYPE>
K   

$$$$
7522
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M  END
> <NSC>
7522

> <STRCTYPE>
K   

$$$$
7525
          1016 111283D                        7525        
                                                                        
101107        1                 1 V2000
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M  END
> <NSC>
7525

> <STRCTYPE>
K   

$$$$
7530
          1016 111283D                        7530        
                                                                        
125132        1                 1 V2000
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M  END
> <NSC>
7530

> <STRCTYPE>
K   

$$$$
7833
          1016 111283D                        7833        
                                                                        
 28 30        0                 1 V2000
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M  END
> <NSC>
7833

> <STRCTYPE>
K   

$$$$
9706
          1016 111283D                        9706        
                                                                        
 27 30        0                 1 V2000
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M  END
> <NSC>
9706

> <STRCTYPE>
K   

$$$$
9856
          1016 111283D                        9856        
                                                                        
 54 53        0                 1 V2000
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M  END
> <NSC>
9856

> <STRCTYPE>
K   

$$$$
10010
          1016 111283D                        10010       
                                                                        
 77 80        0                 1 V2000
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M  END
> <NSC>
10010   

> <STRCTYPE>
K   

$$$$
10447
          1016 111283D                        10447       
                                                                        
 27 29        0                 1 V2000
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M  END
> <NSC>
10447   

> <STRCTYPE>
K   

$$$$
11779
          1016 111283D                        11779       
                                                                        
 28 28        1                 1 V2000
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    1.9542    1.8905    2.0619 H   0  0  0  0  0  0  0  0  0
    3.7266   -0.5180    1.4378 H   0  0  0  0  0  0  0  0  0
    2.0068   -0.4642    1.7956 H   0  0  0  0  0  0  0  0  0
    2.5732   -1.2642    0.3371 H   0  0  0  0  0  0  0  0  0
    4.6648    1.0259   -0.5004 H   0  0  0  0  0  0  0  0  0
    3.5492    0.2849   -1.6381 H   0  0  0  0  0  0  0  0  0
    3.5430    2.0263   -1.4047 H   0  0  0  0  0  0  0  0  0
    1.3817    1.8248   -2.1303 H   0  0  0  0  0  0  0  0  0
    2.4594    5.2677    0.4076 H   0  0  0  0  0  0  0  0  0
   -1.1944    4.3546   -2.6107 H   0  0  0  0  0  0  0  0  0
    0.5032    4.1734   -3.0279 H   0  0  0  0  0  0  0  0  0
   -0.6402    2.8853   -3.4004 H   0  0  0  0  0  0  0  0  0
   -0.6550    2.9513    0.7405 H   0  0  0  0  0  0  0  0  0
   -0.7730    4.5302   -0.0135 H   0  0  0  0  0  0  0  0  0
   -1.9660    3.2890   -0.3743 H   0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  1 13  1  1  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
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  3 14  1  1  0  0  0
  4 10  1  0  0  0  0
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  6 11  1  0  0  0  0
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  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END
> <NSC>
11779   

> <STRCTYPE>
K   

$$$$
11897
          1016 111283D                        11897       
                                                                        
 22 23        0                 1 V2000
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0  0  0  0
   -0.0036    5.1239    1.0300 O   0  0  0  0  0  0  0  0  0
   -0.0144    1.2117    0.0087 C   0  0  0  0  0  0  0  0  0
    1.2430    1.9686    0.0008 C   0  0  0  0  0  0  0  0  0
   -1.3037    1.9407    0.0187 C   0  0  0  0  0  0  0  0  0
   -2.4994    1.2859   -0.2409 C   0  0  0  0  0  0  0  0  0
   -3.6905    1.9965   -0.2241 C   0  0  0  0  0  0  0  0  0
    1.2480    3.2930    0.2664 C   0  0  0  0  0  0  0  0  0
   -1.3080    3.3200    0.2964 C   0  0  0  0  0  0  0  0  0
   -3.6950    3.3507    0.0492 C   0  0  0  0  0  0  0  0  0
   -0.0208    4.0007    0.5689 C   0  0  0  0  0  0  0  0  0
   -2.5086    4.0188    0.3103 C   0  0  0  0  0  0  0  0  0
    2.5387    1.2627   -0.3057 C   0  0  0  0  0  0  0  0  0
    2.4154    3.9774    0.2572 O   0  0  0  0  0  0  0  0  0
   -2.5024    0.2275   -0.4554 H   0  0  0  0  0  0  0  0  0
   -4.6212    1.4874   -0.4264 H   0  0  0  0  0  0  0  0  0
   -4.6292    3.8927    0.0596 H   0  0  0  0  0  0  0  0  0
   -2.5177    5.0775    0.5237 H   0  0  0  0  0  0  0  0  0
    3.3603    1.9779   -0.2666 H   0  0  0  0  0  0  0  0  0
    2.7066    0.4759    0.4298 H   0  0  0  0  0  0  0  0  0
    2.4864    0.8235   -1.3020 H   0  0  0  0  0  0  0  0  0
    2.4214    4.9256    0.4471 H   0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4 13  1  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
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  6 15  1  0  0  0  0
  7 10  1  0  0  0  0
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  8 11  1  0  0  0  0
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  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <NSC>
11897   

> <STRCTYPE>
K   

$$$$
11905
          1016 111283D                        11905       
                                                                        
 32 33        0                 1 V2000
    0.1999    2.6693    0.5222 O   0  0  0  0  0  0  0  0  0
    4.3541    5.7188   -0.3705 O   0  0  0  0  0  0  0  0  0
    1.1023    3.3603    0.0901 C   0  0  0  0  0  0  0  0  0
    2.4031    2.7618   -0.2320 C   0  0  0  0  0  0  0  0  0
    0.8956    4.8117   -0.1211 C   0  0  0  0  0  0  0  0  0
   -0.3757    5.3671   -0.0871 C   0  0  0  0  0  0  0  0  0
   -0.5365    6.7300   -0.2886 C   0  0  0  0  0  0  0  0  0
    3.4798    3.5441   -0.4627 C   0  0  0  0  0  0  0  0  0
    2.0117    5.6344   -0.3600 C   0  0  0  0  0  0  0  0  0
    0.5594    7.5380   -0.5226 C   0  0  0  0  0  0  0  0  0
    3.3601    5.0217   -0.3943 C   0  0  0  0  0  0  0  0  0
    1.8356    6.9979   -0.5596 C   0  0  0  0  0  0  0  0  0
    2.5387    1.2627   -0.3057 C   0  0  0  0  0  0  0  0  0
    3.1463    0.7498    0.9745 C   0  0  0  0  0  0  0  0  0
    4.6732    2.9779   -0.7569 O   0  0  0  0  0  0  0  0  0
    3.3601   -0.5332    1.1301 C   0  0  0  0  0  0  0  0  0
    3.9677   -1.0460    2.4103 C   0  0  0  0  0  0  0  0  0
    2.9983   -1.4964    0.0290 C   0  0  0  0  0  0  0  0  0
   -1.2363    4.7406    0.0951 H   0  0  0  0  0  0  0  0  0
   -1.5257    7.1625   -0.2626 H   0  0  0  0  0  0  0  0  0
    0.4209    8.5979   -0.6776 H   0  0  0  0  0  0  0  0  0
    2.6890    7.6341   -0.7426 H   0  0  0  0  0  0  0  0  0
    1.5546    0.8153   -0.4456 H   0  0  0  0  0  0  0  0  0
    3.1813    0.9967   -1.1449 H   0  0  0  0  0  0  0  0  0
    3.4056    1.4401    1.7636 H   0  0  0  0  0  0  0  0  0
    5.4454    3.5361   -0.9224 H   0  0  0  0  0  0  0  0  0
    4.1598   -0.2093    3.0820 H   0  0  0  0  0  0  0  0  0
    3.2779   -1.7430    2.8862 H   0  0  0  0  0  0  0  0  0
    4.9049   -1.5566    2.1887 H   0  0  0  0  0  0  0  0  0
    1.9296   -1.4303   -0.1749 H   0  0  0  0  0  0  0  0  0
    3.5565   -1.2439   -0.8725 H   0  0  0  0  0  0  0  0  0
    3.2471   -2.5116    0.3381 H   0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8 15  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
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 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
> <NSC>
11905   

> <STRCTYPE>
K   

$$$$
11926
          1016 111283D                        11926       
                                                                        
 36 39        0                 2 V2000
   -0.0235    1.5571    0.2758 O   0  0  0  0  0  0  0  0  0
    1.3866   -0.3049    0.4831 O   0  0  0  0  0  0  0  0  0
    0.0447    0.1429    0.3835 C   0  0  0  0  0  0  0  0  0
    2.0763    0.8534    0.4673 C   0  0  0  0  0  0  0  0  0
    1.2666    1.9538    0.3207 C   0  0  0  0  0  0  0  0  0
    3.4435    1.0026    0.5854 C   0  0  0  0  0  0  0  0  0
    3.9820    2.2808    0.4988 C   0  0  0  0  0  0  0  0  0
    1.7841    3.2446    0.2362 C   0  0  0  0  0  0  0  0  0
    3.1782    3.3836    0.1725 C   0  0  0  0  0  0  0  0  0
    0.9552    4.3705    0.2177 C   0  0  0  0  0  0  0  0  0
   -0.4314    4.2982    0.3361 C   0  0  0  0  0  0  0  0  0
   -1.2090    5.4455    0.3830 C   0  0  0  0  0  0  0  0  0
    3.6891    4.6270   -0.2152 C   0  0  0  0  0  0  0  0  0
    1.5240    5.6365    0.0836 C   0  0  0  0  0  0  0  0  0
   -0.6107    6.6948    0.3310 C   0  0  0  0  0  0  0  0  0
    2.8807    5.7524   -0.1703 C   0  0  0  0  0  0  0  0  0
    0.7686    6.7993    0.1905 C   0  0  0  0  0  0  0  0  0
    1.4505    7.9826    0.1494 O   0  0  0  0  0  0  0  0  0
    0.7272    9.1861    0.3299 C   0  0  0  0  0  0  0  0  0
    4.9576    4.8394   -0.6651 N   0  3  0  0  0  0  0  0  0
    5.4780    5.9766   -0.5992 O   0  0  0  0  0  0  0  0  0
    5.7332    3.7489   -1.2487 O   0  5  0  0  0  0  0  0  0
    5.4534    2.3513    0.7956 C   0  0  0  0  0  0  0  0  0
    6.1396    1.3195    0.7573 O   0  0  0  0  0  0  0  0  0
    6.0445    3.5246    1.1163 O   0  0  0  0  0  0  0  0  0
   -0.4857   -0.1657    1.2732 H   0  0  0  0  0  0  0  0  0
   -0.4311   -0.3101   -0.4765 H   0  0  0  0  0  0  0  0  0
    4.0508    0.1588    0.7402 H   0  0  0  0  0  0  0  0  0
   -0.9294    3.3804    0.3944 H   0  0  0  0  0  0  0  0  0
   -2.2534    5.3659    0.4600 H   0  0  0  0  0  0  0  0  0
   -1.2116    7.5518    0.3975 H   0  0  0  0  0  0  0  0  0
    3.3014    6.7015   -0.3362 H   0  0  0  0  0  0  0  0  0
    0.0382    9.3257   -0.4906 H   0  0  0  0  0  0  0  0  0
    0.1872    9.1872    1.2670 H   0  0  0  0  0  0  0  0  0
    1.4225   10.0128    0.3399 H   0  0  0  0  0  0  0  0  0
    6.9499    3.4241    0.8380 H   0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
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  2  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
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  6 28  1  0  0  0  0
  7 23  1  0  0  0  0
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 10 14  2  0  0  0  0
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 11 29  1  0  0  0  0
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 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 36  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
> <NSC>
11926   

> <STRCTYPE>
K   

$$$$
11930
          1016 111283D                        11930       
                                                                        
 40 41        0                 1 V2000
   -1.0342    3.1480   -8.3300 I   0  0  0  0  0  0  0  0  0
    0.6612    3.2269   -3.7473 C   0  0  0  0  0  0  0  0  0
    1.3125    2.4862   -4.7288 C   0  0  0  0  0  0  0  0  0
   -0.4794    3.9489   -4.0817 C   0  0  0  0  0  0  0  0  0
   -0.9603    3.9259   -5.3864 C   0  0  0  0  0  0  0  0  0
    0.8304    2.4590   -6.0298 C   0  0  0  0  0  0  0  0  0
   -0.3071    3.1821   -6.3599 C   0  0  0  0  0  0  0  0  0
   -2.7714    2.8980   -2.4137 C   0  0  0  0  0  0  0  0  0
   -1.8295    3.8399   -2.0142 C   0  0  0  0  0  0  0  0  0
   -3.3597    2.0556   -1.4794 C   0  0  0  0  0  0  0  0  0
   -3.0102    2.1539   -0.1392 C   0  0  0  0  0  0  0  0  0
   -1.4816    3.9337   -0.6713 C   0  0  0  0  0  0  0  0  0
   -2.0712    3.0939    0.2646 C   0  0  0  0  0  0  0  0  0
    1.1089    3.2717   -2.4591 O   0  0  0  0  0  0  0  0  0
    1.5162    2.0430   -1.8772 C   0  0  0  0  0  0  0  0  0
    0.3874    1.0049   -1.8630 C   0  0  0  0  0  0  0  0  0
    0.7789   -0.2752   -1.2704 N   0  0  0  0  0  0  0  0  0
    0.9803   -0.2366    0.1758 C   0  0  0  0  0  0  0  0  0
   -0.1129   -1.3662   -1.6584 C   0  0  0  0  0  0  0  0  0
   -1.1911    4.7510   -3.0275 C   0  0  0  0  0  0  0  0  0
    2.1768    1.9413   -4.4940 H   0  0  0  0  0  0  0  0  0
   -1.8206    4.4715   -5.6420 H   0  0  0  0  0  0  0  0  0
    1.3276    1.8918   -6.7606 H   0  0  0  0  0  0  0  0  0
   -3.0413    2.8198   -3.4258 H   0  0  0  0  0  0  0  0  0
   -4.0691    1.3445   -1.7868 H   0  0  0  0  0  0  0  0  0
   -3.4555    1.5180    0.5682 H   0  0  0  0  0  0  0  0  0
   -0.7700    4.6409   -0.3597 H   0  0  0  0  0  0  0  0  0
   -1.8060    3.1704    1.2780 H   0  0  0  0  0  0  0  0  0
    2.3822    1.6319   -2.3750 H   0  0  0  0  0  0  0  0  0
    1.8003    2.2585   -0.8586 H   0  0  0  0  0  0  0  0  0
   -0.4605    1.4108   -1.3319 H   0  0  0  0  0  0  0  0  0
    0.0912    0.8349   -2.8882 H   0  0  0  0  0  0  0  0  0
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    0.0469   -0.0173    0.6757 H   0  0  0  0  0  0  0  0  0
   -1.1055   -1.1988   -1.2640 H   0  0  0  0  0  0  0  0  0
   -0.1737   -1.4383   -2.7352 H   0  0  0  0  0  0  0  0  0
    0.2580   -2.3088   -1.2812 H   0  0  0  0  0  0  0  0  0
   -0.4761    5.4052   -2.5492 H   0  0  0  0  0  0  0  0  0
   -1.9606    5.3647   -3.4738 H   0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
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 19 37  1  0  0  0  0
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 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
> <NSC>
11930   

> <STRCTYPE>
K   

$$$$
12825
          1016 111283D                        12825       
                                                                        
 28 30        0                 1 V2000
   -0.0146    1.3127   -0.0912 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
12825   

> <STRCTYPE>
K   

$$$$
13966
          1016 111283D                        13966       
                                                                        
 27 29        0                 1 V2000
   -0.0906    1.5003    0.0122 C   0  0  0  0  0  0  0  0  0
   -2.6091   -0.4511    0.0268 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
13966   

> <STRCTYPE>
K   

$$$$
13973
          1016 111283D                        13973       
                                                                        
 33 35        0                 1 V2000
    0.0092    1.3592    0.0400 C   0  0  0  0  0  0  0  0  0
    1.2552    3.4391    0.0085 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
13973   

> <STRCTYPE>
K   

$$$$
14229
          1016 111283D                        14229       
                                                                        
 58 60        1                 1 V2000
   -3.0431   -6.5333   -3.4550 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
14229   

> <STRCTYPE>
K   

$$$$
14574
          1016 111283D                        14574       
                                                                        
 48 50        0                 1 V2000
    0.5484   -5.6213    2.1245 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
14574   

> <STRCTYPE>
K   

$$$$
14974
          1016 111283D                        14974       
                                                                        
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> <NSC>
14974   

> <STRCTYPE>
K   

$$$$
14975
          1016 111283D                        14975       
                                                                        
 71 75        1                 1 V2000
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M  END
> <NSC>
14975   

> <STRCTYPE>
K   

$$$$
15623
          1016 111283D                        15623       
                                                                        
 42 43        1                 1 V2000
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M  END
> <NSC>
15623   

> <STRCTYPE>
K   

$$$$
18804
          1016 111283D                        18804       
                                                                        
 24 24        0                 1 V2000
    0.8634    3.5445    0.0136 O   0  0  0  0  0  0  0  0  0
   -0.0812    1.4246    0.0116 C   0  0  0  0  0  0  0  0  0
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   -0.0594    0.0871    0.0044 C   0  0  0  0  0  0  0  0  0
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   -1.3396    1.9452    0.0268 O   0  0  0  0  0  0  0  0  0
    0.7484   -2.3400   -0.0164 C   0  0  0  0  0  0  0  0  0
   -0.0143   -2.7290    1.2525 C   0  0  0  0  0  0  0  0  0
   -0.0381   -2.7154   -1.2748 C   0  0  0  0  0  0  0  0  0
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   -1.2991    2.8971    0.0322 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
18804   

> <STRCTYPE>
K   

$$$$
18805
          1016 111283D                        18805       
                                                                        
 24 24        0                 1 V2000
   -0.0963    1.4283    0.0117 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
18805   

> <STRCTYPE>
K   

$$$$
18891
          1016 111283D                        18891       
                                                                        
 46 49        0                 1 V2000
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   -4.3463    0.0523    0.1128 S   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
18891   

> <STRCTYPE>
K   

$$$$
18938
          1016 111283D                        18938       
                                                                        
 45 44        1                 1 V2000
  -11.6107   -7.1654    2.5763 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
18938   

> <STRCTYPE>
K   

$$$$
19857
          1016 111283D                        19857       
                                                                        
 64 66        1                 1 V2000
   17.3241    5.0622    0.1102 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
19857   

> <STRCTYPE>
K   

$$$$
19990
          1016 111283D                        19990       
                                                                        
106109        1                 1 V2000
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M  END
> <NSC>
19990   

> <STRCTYPE>
K   

$$$$
19994
          1016 111283D                        19994       
                                                                        
 33 35        1                 1 V2000
    6.3545    2.2865   -1.6818 C   0  0  0  0  0  0  0  0  0
    4.3389    4.8966   -0.1763 C   0  0  0  0  0  0  0  0  0
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    4.1992    3.4046   -1.7403 C   0  0  0  0  0  0  0  0  0
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    2.1847    4.7929   -1.4318 C   0  0  1  0  0  0  0  0  0
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    6.4456    0.8376   -3.0746 H   0  0  0  0  0  0  0  0  0
    5.8748    1.5250   -2.7028 N   0  0  0  0  0  0  0  0  0
    7.4693    2.1029   -1.2561 O   0  0  0  0  0  0  0  0  0
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 21 33  1  0  0  0  0
M  END
> <NSC>
19994   

> <STRCTYPE>
K   

$$$$
20514
          1016 111283D                        20514       
                                                                        
 54 56        0                 1 V2000
    1.8419   -4.6233   -4.4909 N   0  0  0  0  0  0  0  0  0
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 25 54  1  0  0  0  0
M  END
> <NSC>
20514   

> <STRCTYPE>
K   

$$$$
20534
          1016 111283D                        20534       
                                                                        
 49 51        0                 1 V2000
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   -0.6455   -3.4150   -6.4890 S   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
20534   

> <STRCTYPE>
K   

$$$$
21206
          1016 111283D                        21206       
                                                                        
 17 17        0                 1 V2000
    1.2065   -0.6625    0.4111 N   0  0  0  0  0  0  0  0  0
    1.0675    1.9875   -0.2585 C   0  0  0  0  0  0  0  0  0
    2.2850    1.4385    0.1297 C   0  0  0  0  0  0  0  0  0
   -0.0728    1.1963   -0.3041 C   0  0  0  0  0  0  0  0  0
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    3.6380    3.5605   -0.1012 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
21206   

> <STRCTYPE>
K   

$$$$
21548
          1016 111283D                        21548       
                                                                        
 31 32        1                 1 V2000
    3.8231   -2.1726    1.5119 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
21548   

> <STRCTYPE>
K   

$$$$
22842
          1016 111283D                        22842       
                                                                        
 28 31        0                 1 V2000
    0.0855    1.3616    0.0795 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
22842   

> <STRCTYPE>
K   

$$$$
22992
          1016 111283D                        22992       
                                                                        
 34 34        1                 1 V2000
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 17 34  1  0  0  0  0
M  END
> <NSC>
22992   

> <STRCTYPE>
K   

$$$$
24048
          1016 111283D                        24048       
                                                                        
 42 45        0                 2 V2000
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M  CHG  5   3   1   4   1   7   1  11   1  12   1
M  END
> <NSC>
24048   

> <STRCTYPE>
K   

$$$$
24113
          1016 111283D                        24113       
                                                                        
 46 49        0                 1 V2000
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M  END
> <NSC>
24113   

> <STRCTYPE>
K   

$$$$
24559
          1016 111283D                        24559       
                                                                        
152159        1                 1 V2000
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M  END
> <NSC>
24559   

> <STRCTYPE>
K   

$$$$
24817
          1016 111283D                        24817       
                                                                        
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M  END
> <NSC>
24817   

> <STRCTYPE>
K   

$$$$
24818
          1016 111283D                        24818       
                                                                        
 52 56        1                 1 V2000
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M  END
> <NSC>
24818   

> <STRCTYPE>
K   

$$$$
24819
          1016 111283D                        24819       
                                                                        
 52 56        1                 1 V2000
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M  END
> <NSC>
24819   

> <STRCTYPE>
K   

$$$$
25149
          1016 111283D                        25149       
                                                                        
 52 54        1                 1 V2000
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 22 23  1  0  0  0  0
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 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END
> <NSC>
25149   

> <STRCTYPE>
K   

$$$$
26040
          1016 111283D                        26040       
                                                                        
 48 50        1                 1 V2000
    0.0105    1.3358    2.5333 N   0  0  0  0  0  0  0  0  0
   -4.4566    7.4383   12.5245 Cl  0  0  0  0  0  0  0  0  0
   -3.9914    5.7547    8.9314 C   0  0  0  0  0  0  0  0  0
   -2.7195    6.1918    8.5622 C   0  0  0  0  0  0  0  0  0
   -4.5214    6.1399   10.1517 C   0  0  0  0  0  0  0  0  0
   -3.7869    6.9576   10.9971 C   0  0  0  0  0  0  0  0  0
   -1.9835    7.0135    9.4145 C   0  0  0  0  0  0  0  0  0
   -2.5223    7.3945   10.6335 C   0  0  0  0  0  0  0  0  0
   -3.0199    3.7591    4.2860 C   0  0  0  0  0  0  0  0  0
   -2.2847    4.5815    5.1382 C   0  0  0  0  0  0  0  0  0
   -2.4810    3.3789    3.0672 C   0  0  0  0  0  0  0  0  0
   -1.0127    5.0183    4.7687 C   0  0  0  0  0  0  0  0  0
   -1.2163    3.8150    2.7031 C   0  0  0  0  0  0  0  0  0
   -0.4823    4.6316    3.5493 C   0  0  0  0  0  0  0  0  0
    1.4616    1.5025    2.4094 C   0  0  0  0  0  0  0  0  0
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   -4.5646    5.1246    8.2782 H   0  0  0  0  0  0  0  0  0
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    0.4957    4.9646    3.2601 H   0  0  0  0  0  0  0  0  0
    1.8134    0.9550    1.5349 H   0  0  0  0  0  0  0  0  0
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    0.1028   -1.7977    3.8267 H   0  0  0  0  0  0  0  0  0
   -0.0927   -0.2547    4.6913 H   0  0  0  0  0  0  0  0  0
   -1.3446   -0.2650    2.5406 H   0  0  0  0  0  0  0  0  0
    0.1746   -0.5657    1.6682 H   0  0  0  0  0  0  0  0  0
    0.0193    1.5688    0.4478 H   0  0  0  0  0  0  0  0  0
   -1.5951    1.4791    1.1878 H   0  0  0  0  0  0  0  0  0
    0.3723    3.7990    1.2814 H   0  0  0  0  0  0  0  0  0
   -2.3326    3.5225    0.4421 H   0  0  0  0  0  0  0  0  0
   -3.8357    4.6531    6.7228 H   0  0  0  0  0  0  0  0  0
   -1.1686    6.1204    6.9775 H   0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 15  1  0  0  0  0
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  5 26  1  0  0  0  0
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  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
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 21 22  1  6  0  0  0
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 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END
> <NSC>
26040   

> <STRCTYPE>
K   

$$$$
26045
          1016 111283D                        26045       
                                                                        
 16 17        0                 1 V2000
    0.9094   -4.4263   -0.0292 Cl  0  0  0  0  0  0  0  0  0
   -2.6905   -0.3716    0.0249 Cl  0  0  0  0  0  0  0  0  0
   -0.0298    1.3553    0.0084 N   0  0  0  0  0  0  0  0  0
   -0.8363    1.8944    0.0181 H   0  0  0  0  0  0  0  0  0
    3.4147    0.7513   -0.0259 O   0  0  0  0  0  0  0  0  0
    1.4790    3.0522    0.0040 O   0  0  0  0  0  0  0  0  0
   -1.0374   -0.9145    0.0067 C   0  0  0  0  0  0  0  0  0
   -0.7429   -2.2742   -0.0028 C   0  0  0  0  0  0  0  0  0
    0.0136   -0.0070    0.0015 C   0  0  0  0  0  0  0  0  0
    1.3213   -0.4607   -0.0130 C   0  0  0  0  0  0  0  0  0
    0.5766   -2.7188   -0.0175 C   0  0  0  0  0  0  0  0  0
    1.6308   -1.8121   -0.0227 C   0  0  0  0  0  0  0  0  0
    2.2054    0.7337   -0.0149 C   0  0  0  0  0  0  0  0  0
    1.2287    1.8710   -0.0001 C   0  0  0  0  0  0  0  0  0
   -1.5258   -2.9742    0.0011 H   0  0  0  0  0  0  0  0  0
    2.6286   -2.1400   -0.0338 H   0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <NSC>
26045   

> <STRCTYPE>
K   

$$$$
26273
          1016 111283D                        26273       
                                                                        
 44 47        1                 2 V2000
   13.8281   -5.7932    1.6903 N   0  0  0  0  0  0  0  0  0
   14.1354   -5.4548   -0.6202 N   0  0  0  0  0  0  0  0  0
   10.9493   -4.1687    0.1222 N   0  5  0  0  0  0  0  0  0
   11.9598   -3.2978   -3.7077 O   0  0  0  0  0  0  0  0  0
   12.2183   -4.3846   -1.6775 N   0  3  0  0  0  0  0  0  0
   12.5976   -5.2194    1.6789 C   0  0  0  0  0  0  0  0  0
   12.1131   -4.7609    0.4650 C   0  0  0  0  0  0  0  0  0
   12.9075   -4.8976   -0.6510 C   0  0  0  0  0  0  0  0  0
   11.0375   -3.9350   -1.2023 C   0  0  0  0  0  0  0  0  0
   14.5919   -5.9044    0.5739 C   0  0  0  0  0  0  0  0  0
   12.6571   -4.3299   -3.0334 C   0  0  1  0  0  0  0  0  0
   12.3181   -5.6476   -3.7245 C   0  0  1  0  0  0  0  0  0
   12.2344   -5.1426   -5.1579 C   0  0  1  0  0  0  0  0  0
   11.5242   -3.8044   -4.9535 C   0  0  1  0  0  0  0  0  0
   11.6448   -5.0645    3.1769 S   0  0  0  0  0  0  0  0  0
   12.7221   -5.7181    4.4849 C   0  0  0  0  0  0  0  0  0
   13.9648   -4.8800    4.6085 C   0  0  0  0  0  0  0  0  0
   13.8632   -3.5414    4.9692 C   0  0  0  0  0  0  0  0  0
   15.0051   -2.7602    5.0891 C   0  0  0  0  0  0  0  0  0
   16.2551   -3.3148    4.8467 C   0  0  0  0  0  0  0  0  0
   16.3611   -4.6507    4.4837 C   0  0  0  0  0  0  0  0  0
   15.2181   -5.4310    4.3643 C   0  0  0  0  0  0  0  0  0
    9.5902   -4.5953   -6.0996 O   0  0  0  0  0  0  0  0  0
   10.0020   -3.9316   -4.9256 C   0  0  0  0  0  0  0  0  0
   13.5405   -4.9161   -5.6468 O   0  0  0  0  0  0  0  0  0
   13.2992   -6.6408   -3.4963 O   0  0  0  0  0  0  0  0  0
   10.2871   -3.4674   -1.7728 H   0  0  0  0  0  0  0  0  0
   15.5441   -6.3434    0.6394 H   0  0  0  0  0  0  0  0  0
   13.7257   -4.1665   -3.1022 H   0  0  0  0  0  0  0  0  0
   11.3465   -5.9861   -3.3911 H   0  0  0  0  0  0  0  0  0
   11.6871   -5.8234   -5.7963 H   0  0  0  0  0  0  0  0  0
   11.7931   -3.1366   -5.7597 H   0  0  0  0  0  0  0  0  0
   12.1810   -5.6985    5.4191 H   0  0  0  0  0  0  0  0  0
   12.9737   -6.7417    4.2493 H   0  0  0  0  0  0  0  0  0
   12.9196   -3.1166    5.1513 H   0  0  0  0  0  0  0  0  0
   14.9226   -1.7494    5.3628 H   0  0  0  0  0  0  0  0  0
   17.1187   -2.7240    4.9374 H   0  0  0  0  0  0  0  0  0
   17.3058   -5.0713    4.2990 H   0  0  0  0  0  0  0  0  0
   15.3053   -6.4403    4.0871 H   0  0  0  0  0  0  0  0  0
    8.6367   -4.5895   -6.1394 H   0  0  0  0  0  0  0  0  0
    9.6902   -4.4903   -4.0542 H   0  0  0  0  0  0  0  0  0
    9.5738   -2.9397   -4.8710 H   0  0  0  0  0  0  0  0  0
   13.5012   -4.7361   -6.5825 H   0  0  0  0  0  0  0  0  0
   13.0983   -7.4143   -4.0149 H   0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  2  0  0  0  0
  2 10  1  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  1  0  0  0
 11 29  1  0  0  0  0
 12 26  1  1  0  0  0
 12 13  1  6  0  0  0
 12 30  1  0  0  0  0
 13 25  1  1  0  0  0
 13 14  1  6  0  0  0
 13 31  1  0  0  0  0
 14 24  1  6  0  0  0
 14 32  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
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 20 21  1  0  0  0  0
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 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END
> <NSC>
26273   

> <STRCTYPE>
K   

$$$$
28002
          1016 111283D                        28002       
                                                                        
 33 36        0                 2 V2000
    0.0035    1.3702    0.0065 C   0  0  0  0  0  0  0  0  0
    0.0342   -0.0179    0.0044 C   0  0  0  0  0  0  0  0  0
    1.1855    2.0936    0.0040 C   0  0  0  0  0  0  0  0  0
    2.3953    1.4173    0.0050 C   0  0  0  0  0  0  0  0  0
    1.2408   -0.7221    0.0015 C   0  0  0  0  0  0  0  0  0
    2.4187    0.0273    0.0096 C   0  0  0  0  0  0  0  0  0
    1.3233   -2.1208   -0.0092 C   0  0  0  0  0  0  0  0  0
    0.1832   -2.9181   -0.0145 C   0  0  0  0  0  0  0  0  0
    3.6498   -0.6086    0.0233 C   0  0  0  0  0  0  0  0  0
    2.5619   -2.7708   -0.0158 C   0  0  0  0  0  0  0  0  0
    3.7165   -1.9915    0.0211 C   0  0  0  0  0  0  0  0  0
    2.6421   -4.1665   -0.0585 C   0  0  0  0  0  0  0  0  0
    1.4628   -4.9151   -0.0226 C   0  0  0  0  0  0  0  0  0
    1.4752   -6.3096    0.0084 C   0  0  0  0  0  0  0  0  0
    0.2892   -7.0288    0.0112 C   0  0  0  0  0  0  0  0  0
   -0.9239   -4.9741   -0.0158 C   0  0  0  0  0  0  0  0  0
   -0.9236   -6.3605   -0.0049 C   0  0  0  0  0  0  0  0  0
    0.2507   -4.2755   -0.0175 N   0  3  0  0  0  0  0  0  0
    3.9870   -4.8651   -0.1432 C   0  0  0  0  0  0  0  0  0
   -0.9172    1.8769    0.0099 H   0  0  0  0  0  0  0  0  0
   -0.8930   -0.5028    0.0049 H   0  0  0  0  0  0  0  0  0
    1.1655    3.1445    0.0015 H   0  0  0  0  0  0  0  0  0
    3.2923    1.9659    0.0024 H   0  0  0  0  0  0  0  0  0
   -0.7639   -2.4664   -0.0149 H   0  0  0  0  0  0  0  0  0
    4.5389   -0.0462    0.0356 H   0  0  0  0  0  0  0  0  0
    4.6733   -2.4194    0.0494 H   0  0  0  0  0  0  0  0  0
    2.3725   -6.8525    0.0316 H   0  0  0  0  0  0  0  0  0
    0.3099   -8.0807    0.0254 H   0  0  0  0  0  0  0  0  0
   -1.8548   -4.4795   -0.0227 H   0  0  0  0  0  0  0  0  0
   -1.8280   -6.8973   -0.0080 H   0  0  0  0  0  0  0  0  0
    4.3522   -5.0641    0.8545 H   0  0  0  0  0  0  0  0  0
    3.9297   -5.7905   -0.6945 H   0  0  0  0  0  0  0  0  0
    4.7185   -4.2810   -0.6788 H   0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 20  1  0  0  0  0
  2  5  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7  8  1  0  0  0  0
  8 18  2  0  0  0  0
  8 24  1  0  0  0  0
  9 11  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  CHG  1  18   1
M  END
> <NSC>
28002   

> <STRCTYPE>
K   

$$$$
29603
          1016 111283D                        29603       
                                                                        
 27 29        0                 2 V2000
    1.2653   -3.7997    1.4219 N   0  0  0  0  0  0  0  0  0
    3.4301   -2.8926    1.1839 N   0  0  0  0  0  0  0  0  0
    1.2641   -0.6210   -0.3880 N   0  5  0  0  0  0  0  0  0
    3.4566   -0.7690   -0.0323 N   0  3  0  0  0  0  0  0  0
    0.6975   -2.7661    0.7579 C   0  0  0  0  0  0  0  0  0
    1.5263   -1.7573    0.2901 C   0  0  0  0  0  0  0  0  0
    2.8814   -1.8557    0.5171 C   0  0  0  0  0  0  0  0  0
    2.4600   -0.0309   -0.5771 C   0  0  0  0  0  0  0  0  0
    2.6012   -3.8627    1.6343 C   0  0  0  0  0  0  0  0  0
    5.7579   -1.4536   -0.0592 C   0  0  0  0  0  0  0  0  0
    7.1078   -1.1252   -0.0717 C   0  0  0  0  0  0  0  0  0
    4.7842   -0.4587   -0.0451 C   0  0  0  0  0  0  0  0  0
    7.4990    0.2068   -0.0712 C   0  0  0  0  0  0  0  0  0
    5.1891    0.8732   -0.0449 C   0  0  0  0  0  0  0  0  0
    6.5371    1.2075   -0.0579 C   0  0  0  0  0  0  0  0  0
    3.1073   -4.9177    2.3094 N   0  0  0  0  0  0  0  0  0
   -0.6429   -2.7431    0.5703 N   0  0  0  0  0  0  0  0  0
    2.5820    0.8816   -1.0867 H   0  0  0  0  0  0  0  0  0
    5.4787   -2.4654   -0.0641 H   0  0  0  0  0  0  0  0  0
    7.8340   -1.8849   -0.0821 H   0  0  0  0  0  0  0  0  0
    8.5197    0.4572   -0.0808 H   0  0  0  0  0  0  0  0  0
    4.4717    1.6397   -0.0320 H   0  0  0  0  0  0  0  0  0
    6.8286    2.2173   -0.0572 H   0  0  0  0  0  0  0  0  0
    2.5095   -5.6110    2.6292 H   0  0  0  0  0  0  0  0  0
    4.0595   -4.9820    2.4735 H   0  0  0  0  0  0  0  0  0
   -1.1961   -3.4619    0.9095 H   0  0  0  0  0  0  0  0  0
   -1.0436   -1.9990    0.0925 H   0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4  8  1  0  0  0  0
  4  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5  6  1  0  0  0  0
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  8 18  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
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 10 19  1  0  0  0  0
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 11 20  1  0  0  0  0
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 13 21  1  0  0  0  0
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 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  CHG  2   3  -1   4   1
M  END
> <NSC>
29603   

> <STRCTYPE>
K   

$$$$
30916
          1016 111283D                        30916       
                                                                        
 48 50        1                 2 V2000
    0.3276   -1.2320    0.6664 O   0  0  0  0  0  0  0  0  0
    0.0356   -2.6318   -1.8069 O   0  0  0  0  0  0  0  0  0
    0.5072   -3.3324    7.4752 C   0  0  0  0  0  0  0  0  0
    0.1967   -4.5136    6.7980 C   0  0  0  0  0  0  0  0  0
    0.8027   -3.3706    8.8220 C   0  0  0  0  0  0  0  0  0
    0.7922   -4.5759    9.5019 C   0  0  0  0  0  0  0  0  0
    0.1876   -5.7259    7.4902 C   0  0  0  0  0  0  0  0  0
    0.4850   -5.7497    8.8372 C   0  0  0  0  0  0  0  0  0
   -0.9244   -1.7684    0.2372 C   0  0  1  0  0  0  0  0  0
   -0.9839   -1.7753   -1.2907 C   0  0  0  0  0  0  0  0  0
    1.3471   -2.0886    0.1503 C   0  0  0  0  0  0  0  0  0
    1.2876   -2.0954   -1.3777 C   0  0  1  0  0  0  0  0  0
    1.0942   -4.5295   -8.5156 C   0  0  0  0  0  0  0  0  0
    0.8223   -4.8846   -9.8201 C   0  0  0  0  0  0  0  0  0
    2.2547   -4.9973   -7.8954 C   0  0  0  0  0  0  0  0  0
    3.1320   -5.8222   -8.6016 C   0  0  0  0  0  0  0  0  0
    1.6964   -5.7027  -10.5145 C   0  0  0  0  0  0  0  0  0
    2.8478   -6.1697   -9.9062 C   0  0  0  0  0  0  0  0  0
    2.5528   -4.6207   -6.4983 C   0  0  0  0  0  0  0  0  0
    3.5848   -4.9920   -5.9761 O   0  0  0  0  0  0  0  0  0
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   -1.0712   -3.1992    0.7591 C   0  0  0  0  0  0  0  0  0
   -0.5507   -3.2595    2.7926 H   0  3  0  0  0  0  0  0  0
   -0.0674   -3.3156    4.6809 O   0  0  0  0  0  0  0  0  0
   -0.1213   -4.4802    5.3558 C   0  0  0  0  0  0  0  0  0
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    0.5200   -2.3917    6.9448 H   0  0  0  0  0  0  0  0  0
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    1.0244   -4.6002   10.5564 H   0  0  0  0  0  0  0  0  0
   -0.0522   -6.6430    6.9726 H   0  0  0  0  0  0  0  0  0
    0.4783   -6.6869    9.3740 H   0  0  0  0  0  0  0  0  0
   -1.7355   -1.1548    0.6293 H   0  0  0  0  0  0  0  0  0
   -0.8306   -0.7628   -1.6643 H   0  0  0  0  0  0  0  0  0
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    2.3231   -1.7269    0.4737 H   0  0  0  0  0  0  0  0  0
    1.1938   -3.1011    0.5239 H   0  0  0  0  0  0  0  0  0
    1.3922   -1.0761   -1.7495 H   0  0  0  0  0  0  0  0  0
    0.4135   -3.8877   -7.9762 H   0  0  0  0  0  0  0  0  0
   -0.0748   -4.5236  -10.3010 H   0  0  0  0  0  0  0  0  0
    4.0314   -6.1872   -8.1280 H   0  0  0  0  0  0  0  0  0
    1.4784   -5.9781  -11.5358 H   0  0  0  0  0  0  0  0  0
    3.5255   -6.8078  -10.4538 H   0  0  0  0  0  0  0  0  0
    3.3646   -2.4066   -1.8579 H   0  0  0  0  0  0  0  0  0
    2.4998   -3.8761   -1.3469 H   0  0  0  0  0  0  0  0  0
   -2.1041   -3.5257    0.6386 H   0  0  0  0  0  0  0  0  0
   -0.4130   -3.8606    0.1958 H   0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
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  3 29  1  0  0  0  0
  4 27  1  0  0  0  0
  4  7  2  0  0  0  0
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  5 30  1  0  0  0  0
  6  8  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  6  0  0  0
  9 24  1  1  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 23  1  0  0  0  0
 12 39  1  6  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 13 40  1  0  0  0  0
 14 17  1  0  0  0  0
 14 41  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
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 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
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 23 45  1  0  0  0  0
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 24 25  1  0  0  0  0
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 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  CHG  2  22   1  25   1
M  END
> <NSC>
30916   

> <STRCTYPE>
K   

$$$$
31702
          1016 111283D                        31702       
                                                                        
 35 38        0                 1 V2000
   -0.0159    1.3428    0.0095 N   0  0  0  0  0  0  0  0  0
   -0.0712    4.1260    0.0310 N   0  0  0  0  0  0  0  0  0
   -4.2619    1.6365    2.0978 O   0  0  0  0  0  0  0  0  0
    0.0386   -2.8053   -0.0175 C   0  0  0  0  0  0  0  0  0
   -0.0839   -2.1050   -1.2105 C   0  0  0  0  0  0  0  0  0
    0.1434   -2.1175    1.1844 C   0  0  0  0  0  0  0  0  0
    0.1254   -0.7289    1.1921 C   0  0  0  0  0  0  0  0  0
   -0.1011   -0.7164   -1.2006 C   0  0  0  0  0  0  0  0  0
    0.0028   -0.0243    0.0002 C   0  0  0  0  0  0  0  0  0
   -2.1708    1.4087    1.0572 C   0  0  0  0  0  0  0  0  0
   -3.3064    2.2043    1.6261 C   0  0  0  0  0  0  0  0  0
   -1.0930    2.0189    0.5357 C   0  0  0  0  0  0  0  0  0
   -3.2569    3.7025    1.6100 C   0  0  0  0  0  0  0  0  0
   -1.0573    3.5292    0.5204 C   0  0  0  0  0  0  0  0  0
   -2.1951    4.3285    1.0867 C   0  0  0  0  0  0  0  0  0
    2.1679    1.4488   -1.0477 C   0  0  0  0  0  0  0  0  0
    3.2174    2.1936   -1.5708 C   0  0  0  0  0  0  0  0  0
    1.0408    2.0645   -0.5067 C   0  0  0  0  0  0  0  0  0
    0.9957    3.4598   -0.4911 C   0  0  0  0  0  0  0  0  0
    3.1523    3.5801   -1.5499 C   0  0  0  0  0  0  0  0  0
    2.0416    4.2115   -1.0088 C   0  0  0  0  0  0  0  0  0
    4.3025    1.5698   -2.1001 N   0  0  0  0  0  0  0  0  0
    0.0519   -3.8556   -0.0241 H   0  0  0  0  0  0  0  0  0
   -0.1634   -2.6244   -2.1197 H   0  0  0  0  0  0  0  0  0
    0.2364   -2.6463    2.0871 H   0  0  0  0  0  0  0  0  0
    0.2053   -0.2070    2.1001 H   0  0  0  0  0  0  0  0  0
   -0.1936   -0.1847   -2.1017 H   0  0  0  0  0  0  0  0  0
   -2.2397    0.3627    1.0767 H   0  0  0  0  0  0  0  0  0
   -4.0563    4.2530    2.0097 H   0  0  0  0  0  0  0  0  0
   -2.1544    5.3778    1.0704 H   0  0  0  0  0  0  0  0  0
    2.2402    0.4030   -1.0674 H   0  0  0  0  0  0  0  0  0
    3.9418    4.1504   -1.9426 H   0  0  0  0  0  0  0  0  0
    1.9897    5.2602   -0.9897 H   0  0  0  0  0  0  0  0  0
    5.0375    2.0870   -2.4669 H   0  0  0  0  0  0  0  0  0
    4.3541    0.6006   -2.1172 H   0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  1  9  1  0  0  0  0
  2 19  1  0  0  0  0
  2 14  2  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 27  1  0  0  0  0
 10 11  1  0  0  0  0
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 15 30  1  0  0  0  0
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 16 31  1  0  0  0  0
 17 22  1  0  0  0  0
 17 20  1  0  0  0  0
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 20 32  1  0  0  0  0
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 22 35  1  0  0  0  0
M  END
> <NSC>
31702   

> <STRCTYPE>
K   

$$$$
32065
          1016 111283D                        32065       
                                                                        
  9  8        0                 1 V2000
   -0.0225    1.4084    0.0084 N   0  0  0  0  0  0  0  0  0
   -0.0277   -0.0123    0.0023 O   0  0  0  0  0  0  0  0  0
    1.1422    2.1042    0.0020 C   0  0  0  0  0  0  0  0  0
    2.2077    1.5390   -0.0105 O   0  0  0  0  0  0  0  0  0
    1.1235    3.4544    0.0098 N   0  0  0  0  0  0  0  0  0
   -0.8541    1.9065    0.0173 H   0  0  0  0  0  0  0  0  0
   -0.9193   -0.3488    0.0088 H   0  0  0  0  0  0  0  0  0
    0.2846    3.9363    0.0203 H   0  0  0  0  0  0  0  0  0
    1.9640    3.9357    0.0046 H   0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <NSC>
32065   

> <STRCTYPE>
K   

$$$$
32944
          1016 111283D                        32944       
                                                                        
 72 76        1                 1 V2000
   -2.0929    2.5753    1.3260 H   0  0  0  0  0  0  0  0  0
   -1.3191    4.4875    0.9989 N   0  0  0  0  0  0  0  0  0
   -1.0535    5.3168    3.2564 C   0  0  0  0  0  0  0  0  0
   -0.5097    3.9652    3.6323 C   0  0  0  0  0  0  0  0  0
   -1.9882    5.2452    2.0512 C   0  0  0  0  0  0  0  0  0
    0.0659    3.7927    4.8853 C   0  0  0  0  0  0  0  0  0
    0.5605    2.5541    5.2861 C   0  0  0  0  0  0  0  0  0
   -0.5745    2.8942    2.7470 C   0  0  0  0  0  0  0  0  0
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   -0.1180    1.6495    3.1662 C   0  0  0  0  0  0  0  0  0
   -1.1349    3.0776    1.3528 C   0  0  2  0  0  0  0  0  0
   -0.2223    2.4544    0.2910 C   0  0  0  0  0  0  0  0  0
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   -0.8110   -1.7941   -1.4919 C   0  0  0  0  0  0  0  0  0
    1.1572    2.3326    6.4973 O   0  0  0  0  0  0  0  0  0
    1.2309    3.3848    7.4380 C   0  0  0  0  0  0  0  0  0
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    1.1917   -0.7546    3.8988 C   0  0  0  0  0  0  0  0  0
    0.0252    1.8274   -2.1504 C   0  0  0  0  0  0  0  0  0
   -0.9196   -0.3478   -1.5830 N   0  0  0  0  0  0  0  0  0
   -1.7408    4.2976   -2.8008 C   0  0  0  0  0  0  0  0  0
   -3.0888    3.6105   -3.0297 C   0  0  0  0  0  0  0  0  0
    4.2132    0.2218   -4.9370 O   0  0  0  0  0  0  0  0  0
    4.4510    1.6026   -4.7446 C   0  0  0  0  0  0  0  0  0
    3.3861   -2.2214   -5.8680 O   0  0  0  0  0  0  0  0  0
   -1.5966    5.7396    4.0893 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
32944   

> <STRCTYPE>
K   

$$$$
32946
          1016 111283D                        32946       
                                                                        
 25 24        0                 1 V2000
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M  END
> <NSC>
32946   

> <STRCTYPE>
K   

$$$$
32982
          1016 111283D                        32982       
                                                                        
 47 48        0                 1 V2000
    1.2387    5.2989   -2.7801 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
32982   

> <STRCTYPE>
K   

$$$$
32992
          1016 111283D                        32992       
                                                                        
 72 75        1                 1 V2000
    4.6661    0.6493   -7.1498 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
32992   

> <STRCTYPE>
K   

$$$$
33004
          1016 111283D                        33004       
                                                                        
 25 27        0                 1 V2000
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M  END
> <NSC>
33004   

> <STRCTYPE>
K   

$$$$
33006
          1016 111283D                        33006       
                                                                        
 31 33        0                 1 V2000
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M  END
> <NSC>
33006   

> <STRCTYPE>
K   

$$$$
33410
          1016 111283D                        33410       
                                                                        
 61 64        1                 1 V2000
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M  END
> <NSC>
33410   

> <STRCTYPE>
K   

$$$$
34391
          1016 111283D                        34391       
                                                                        
 52 55        0                 2 V2000
   -0.3528   -1.0285    2.2271 N   0  0  0  0  0  0  0  0  0
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M  CHG  1  23   1
M  END
> <NSC>
34391   

> <STRCTYPE>
K   

$$$$
34757
          1016 111283D                        34757       
                                                                        
 38 41        0                 1 V2000
    1.2902   -4.2328   -2.4648 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
34757   

> <STRCTYPE>
K   

$$$$
34931
          1016 111283D                        34931       
                                                                        
 80 85        0                 1 V2000
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M  END
> <NSC>
34931   

> <STRCTYPE>
K   

$$$$
35489
          1016 111283D                        35489       
                                                                        
 45 49        0                 2 V2000
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M  CHG  1   1   1
M  END
> <NSC>
35489   

> <STRCTYPE>
K   

$$$$
35866
          1016 111283D                        35866       
                                                                        
 32 34        0                 1 V2000
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M  END
> <NSC>
35866   

> <STRCTYPE>
K   

$$$$
35949
          1016 111283D                        35949       
                                                                        
 61 66        0                 1 V2000
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M  END
> <NSC>
35949   

> <STRCTYPE>
K   

$$$$
36354
          1016 111283D                        36354       
                                                                        
 49 51        1                 1 V2000
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M  END
> <NSC>
36354   

> <STRCTYPE>
K   

$$$$
36437
          1016 111283D                        36437       
                                                                        
 59 60        1                 1 V2000
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M  END
> <NSC>
36437   

> <STRCTYPE>
K   

$$$$
36693
          1016 111283D                        36693       
                                                                        
 52 55        1                 1 V2000
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M  END
> <NSC>
36693   

> <STRCTYPE>
K   

$$$$
36826
          1016 111283D                        36826       
                                                                        
 29 31        0                 1 V2000
   -2.5032    1.0937    1.3037 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
36826   

> <STRCTYPE>
K   

$$$$
37364
          1016 111283D                        37364       
                                                                        
 19 20        0                 1 V2000
    0.5544    0.3474   -1.1499 N   0  0  0  0  0  0  0  0  0
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    0.3257    0.1654    2.4923 N   0  0  0  0  0  0  0  0  0
   -0.4440   -0.3096    2.8450 H   0  0  0  0  0  0  0  0  0
    2.2171    1.3242    2.3757 N   0  0  0  0  0  0  0  0  0
   -0.0253   -0.0208    0.0224 C   0  0  0  0  0  0  0  0  0
    0.6133    0.3565    1.1938 C   0  0  0  0  0  0  0  0  0
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    1.3079    0.7583    3.2027 C   0  0  0  0  0  0  0  0  0
    1.7105    1.0552   -1.1896 C   0  0  0  0  0  0  0  0  0
    2.2460    1.3965   -2.3810 N   0  0  0  0  0  0  0  0  0
   -1.1872   -0.7324    0.0757 O   0  0  0  0  0  0  0  0  0
   -1.7392   -1.0552   -1.1857 C   0  0  0  0  0  0  0  0  0
    1.3638    0.7804    4.2531 H   0  0  0  0  0  0  0  0  0
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   -2.6508   -1.6143   -1.0335 H   0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  2  0  0  0  0
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M  END
> <NSC>
37364   

> <STRCTYPE>
K   

$$$$
38534
          1016 111283D                        38534       
                                                                        
 46 47        1                 1 V2000
    0.8973    6.3364    3.7991 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
38534   

> <STRCTYPE>
K   

$$$$
38721
          1016 111283D                        38721       
                                                                        
 28 29        1                 1 V2000
   -0.7834    3.8408    2.2909 Cl  0  0  0  0  0  0  0  0  0
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    3.0661    4.6119    1.4234 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
38721   

> <STRCTYPE>
K   

$$$$
39202
          1016 111283D                        39202       
                                                                        
 53 55        1                 1 V2000
   -2.3615    7.1679    4.2027 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
39202   

> <STRCTYPE>
K   

$$$$
40212
          1016 111283D                        40212       
                                                                        
 16 16        0                 1 V2000
    1.0551    3.7550    0.0181 Cl  0  0  0  0  0  0  0  0  0
   -0.0280    1.3225   -0.0075 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
40212   

> <STRCTYPE>
K   

$$$$
40341
          1016 111283D                        40341       
                                                                        
 48 52        0                 1 V2000
    0.3581    3.8262    1.7275 O   0  0  0  0  0  0  0  0  0
    4.7568    1.5529    0.0449 O   0  0  0  0  0  0  0  0  0
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   -2.8508   -1.5724   -0.0842 O   0  0  0  0  0  0  0  0  0
   -3.7391   -1.2159    0.6569 C   0  0  0  0  0  0  0  0  0
   -4.9044   -2.0968    0.9180 C   0  0  0  0  0  0  0  0  0
   -3.6851    0.1100    1.3254 C   0  0  0  0  0  0  0  0  0
   -4.8825   -3.4340    0.5373 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
40341   

> <STRCTYPE>
K   

$$$$
40666
          1016 111283D                        40666       
                                                                        
 46 49        1                 2 V2000
    8.5646   -1.2002    4.3017 N   0  0  0  0  0  0  0  0  0
    8.5102   -3.0101    5.8071 N   0  0  0  0  0  0  0  0  0
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    6.6201   -1.6256   -1.0201 Cl  0  0  0  0  0  0  0  0  0
    8.8147   -5.1562    4.7218 N   0  3  0  0  0  0  0  0  0
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   10.7860   -1.4190   -2.7638 C   0  0  0  0  0  0  0  0  0
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M  CHG  2   3  -1   6   1
M  END
> <NSC>
40666   

> <STRCTYPE>
K   

$$$$
41809
          1016 111283D                        41809       
                                                                        
 15 14        1                 1 V2000
   -0.0469    1.3010    0.2087 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
41809   

> <STRCTYPE>
K   

$$$$
43321
          1016 111283D                        43321       
                                                                        
 54 56        1                 1 V2000
    5.4979    3.7897   -1.0975 C   0  0  0  0  0  0  0  0  0
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 30 54  1  0  0  0  0
M  END
> <NSC>
43321   

> <STRCTYPE>
K   

$$$$
44690
          1016 111283D                        44690       
                                                                        
 51 53        0                 2 V2000
   -4.8841  -11.2110   -6.2721 N   0  0  0  0  0  0  0  0  0
   -5.7468  -11.9331   -5.4829 C   0  0  0  0  0  0  0  0  0
   -7.0249  -11.4605   -5.1936 C   0  0  0  0  0  0  0  0  0
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   -8.7562  -16.1380   -1.7407 C   0  0  0  0  0  0  0  0  0
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M  CHG  1   8   1
M  END
> <NSC>
44690   

> <STRCTYPE>
K   

$$$$
45383
          1016 111283D                        45383       
                                                                        
 59 62        0                 1 V2000
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M  END
> <NSC>
45383   

> <STRCTYPE>
K   

$$$$
45388
          1016 111283D                        45388       
                                                                        
 23 23        0                 1 V2000
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M  END
> <NSC>
45388   

> <STRCTYPE>
K   

$$$$
45575
          1016 111283D                        45575       
                                                                        
 37 40        0                 1 V2000
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M  END
> <NSC>
45575   

> <STRCTYPE>
K   

$$$$
47438
          1016 111283D                        47438       
                                                                        
 61 64        1                 1 V2000
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M  END
> <NSC>
47438   

> <STRCTYPE>
K   

$$$$
48151
          1016 111283D                        48151       
                                                                        
 72 74        0                 1 V2000
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 30 71  1  0  0  0  0
 31 72  1  0  0  0  0
M  END
> <NSC>
48151   

> <STRCTYPE>
K   

$$$$
49660
          1016 111283D                        49660       
                                                                        
 33 36        1                 2 V2000
   -1.7635   -3.3999   -1.5939 S   0  0  0  0  0  0  0  0  0
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   -3.0185   -2.5460    2.7948 N   0  0  0  0  0  0  0  0  0
   -0.7258   -2.2093    3.4723 N   0  0  0  0  0  0  0  0  0
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 15 33  1  0  0  0  0
M  CHG  1  16   1
M  END
> <NSC>
49660   

> <STRCTYPE>
K   

$$$$
49842
          1016 111283D                        49842       
                                                                        
117125        1                 1 V2000
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M  END
> <NSC>
49842   

> <STRCTYPE>
K   

$$$$
51148
          1016 111283D                        51148       
                                                                        
  5  4        0                 1 V2000
    0.4963    2.2767   -0.1997 C   0  0  0  0  0  0  0  0  0
   -0.4225    0.8058    0.2802 Cl  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
M  END
> <NSC>
51148   

> <STRCTYPE>
K   

$$$$
51812
          1016 111283D                        51812       
                                                                        
 52 55        1                 1 V2000
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M  END
> <NSC>
51812   

> <STRCTYPE>
K   

$$$$
52141
          1016 111283D                        52141       
                                                                        
116120        1                 1 V2000
   -1.7186   -2.5592   -0.7736 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
52141   

> <STRCTYPE>
K   

$$$$
53908
          1016 111283D                        53908       
                                                                        
 43 45        0                 1 V2000
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M  END
> <NSC>
53908   

> <STRCTYPE>
K   

$$$$
54297
          1016 111283D                        54297       
                                                                        
 17 18        0                 1 V2000
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M  END
> <NSC>
54297   

> <STRCTYPE>
K   

$$$$
54650
          1016 111283D                        54650       
                                                                        
 30 32        0                 1 V2000
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M  END
> <NSC>
54650   

> <STRCTYPE>
K   

$$$$
56544
          1016 111283D                        56544       
                                                                        
 24 26        0                 1 V2000
   -0.1002    1.4517    0.2627 O   0  0  0  0  0  0  0  0  0
    3.3163    0.5146    0.4745 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
56544   

> <STRCTYPE>
K   

$$$$
56737
          1016 111283D                        56737       
                                                                        
 57 58        1                 1 V2000
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M  END
> <NSC>
56737   

> <STRCTYPE>
K   

$$$$
56817
          1016 111283D                        56817       
                                                                        
 68 71        0                 1 V2000
    5.3227    6.3660   -6.2615 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
56817   

> <STRCTYPE>
K   

$$$$
58514
          1016 111283D                        58514       
                                                                        
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M  END
> <NSC>
58514   

> <STRCTYPE>
K   

$$$$
59269
          1016 111283D                        59269       
                                                                        
 62 61        1                 1 V2000
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M  END
> <NSC>
59269   

> <STRCTYPE>
K   

$$$$
60309
          1016 111283D                        60309       
                                                                        
 32 36        0                 3 V2000
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M  CHG  8   2   2   3   2   9   1  11   1  12   1  14   1  15   1  19   1
M  CHG  1  20   1
M  END
> <NSC>
60309   

> <STRCTYPE>
K   

$$$$
61805
          1016 111283D                        61805       
                                                                        
 26 28        1                 1 V2000
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M  END
> <NSC>
61805   

> <STRCTYPE>
K   

$$$$
61811
          1016 111283D                        61811       
                                                                        
 56 60        1                 1 V2000
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M  END
> <NSC>
61811   

> <STRCTYPE>
K   

$$$$
62791
          1016 111283D                        62791       
                                                                        
 73 76        1                 1 V2000
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M  END
> <NSC>
62791   

> <STRCTYPE>
K   

$$$$
63446
          1016 111283D                        63446       
                                                                        
 21 22        0                 1 V2000
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 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
> <NSC>
63446   

> <STRCTYPE>
K   

$$$$
63701
          1016 111283D                        63701       
                                                                        
 34 36        1                 1 V2000
    8.2026   -0.4599    5.9263 N   0  0  0  0  0  0  0  0  0
    7.2168    0.2625    3.9128 N   0  0  0  0  0  0  0  0  0
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    8.1640   -0.7620    1.9154 N   0  0  0  0  0  0  0  0  0
    9.0565   -1.2902    5.2829 C   0  0  0  0  0  0  0  0  0
    8.9801   -1.3393    3.8985 C   0  0  0  0  0  0  0  0  0
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    7.2965    0.3062    5.2656 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
63701   

> <STRCTYPE>
K   

$$$$
63878
          1016 111283D                        63878       
                                                                        
 30 31        1                 1 V2000
    1.8614    0.5385   -0.4243 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
63878   

> <STRCTYPE>
K   

$$$$
63984
          1016 111283D                        63984       
                                                                        
 31 33        1                 1 V2000
    6.3781   -4.0522   -4.9696 N   0  0  0  0  0  0  0  0  0
    5.4812   -3.7676   -3.9890 C   0  0  0  0  0  0  0  0  0
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    5.7580   -2.8216   -3.0583 N   0  0  0  0  0  0  0  0  0
    7.2293    0.7247    0.5293 C   0  0  1  0  0  0  0  0  0
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M  END
> <NSC>
63984   

> <STRCTYPE>
K   

$$$$
65104
          1016 111283D                        65104       
                                                                        
 95 97        1                 2 V2000
   -6.5393  -33.0882   11.3133 N   0  0  0  0  0  0  0  0  0
   -6.0556  -31.7750    9.5532 N   0  5  0  0  0  0  0  0  0
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M  CHG  2   2  -1  11   1
M  END
> <NSC>
65104   

> <STRCTYPE>
K   

$$$$
65346
          1016 111283D                        65346       
                                                                        
 37 39        1                 1 V2000
   11.0301   -2.5556    1.5693 N   0  0  0  0  0  0  0  0  0
    9.3063   -1.1600    0.8075 N   0  0  0  0  0  0  0  0  0
    6.6401   -0.5626   -0.0554 O   0  0  0  0  0  0  0  0  0
    7.2440   -1.3463    2.0606 N   0  0  0  0  0  0  0  0  0
    7.9322   -2.8059    3.5952 C   0  0  0  0  0  0  0  0  0
    8.9636   -2.6025    2.6893 C   0  0  0  0  0  0  0  0  0
    6.8691   -2.0377    3.1530 C   0  0  0  0  0  0  0  0  0
   10.2429   -3.1177    2.5165 C   0  0  0  0  0  0  0  0  0
    8.5221   -1.6544    1.7863 C   0  0  0  0  0  0  0  0  0
   10.5835   -1.5962    0.7220 C   0  0  0  0  0  0  0  0  0
    6.4141   -0.4390    1.3302 C   0  0  1  0  0  0  0  0  0
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   11.2300   -1.1938   -0.0024 H   0  0  0  0  0  0  0  0  0
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   11.7317   -4.3356    3.1123 H   0  0  0  0  0  0  0  0  0
   10.2517   -4.7093    3.7913 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
65346   

> <STRCTYPE>
K   

$$$$
65380
          1016 111283D                        65380       
                                                                        
 48 52        1                 1 V2000
   -1.1162   -2.9082    0.0100 O   0  0  0  0  0  0  0  0  0
   -0.0872    0.2898    0.2150 O   0  0  0  0  0  0  0  0  0
    1.4144    1.9691    5.6015 O   0  0  0  0  0  0  0  0  0
   -0.4222   -1.0252    2.1472 C   0  0  1  0  0  0  0  0  0
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    0.1048   -1.0161    0.7071 C   0  0  1  0  0  0  0  0  0
   -0.1704   -2.1839   -0.1965 C   0  0  0  0  0  0  0  0  0
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    0.5541   -3.6635   -2.0678 C   0  0  0  0  0  0  0  0  0
    1.3870   -3.9738   -3.1345 C   0  0  0  0  0  0  0  0  0
    1.4549    0.5532    2.7571 C   0  0  1  0  0  0  0  0  0
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   -0.9540   -2.2777    2.5254 O   0  0  0  0  0  0  0  0  0
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   -0.2081   -4.3325   -1.7909 H   0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
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 26 27  2  0  0  0  0
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M  END
> <NSC>
65380   

> <STRCTYPE>
K   

$$$$
65381
          1016 111283D                        65381       
                                                                        
 12 11        0                 1 V2000
   -0.0091    1.4483    0.0129 C   0  0  0  0  0  0  0  0  0
    1.0266    2.0509    0.0031 O   0  0  0  0  0  0  0  0  0
    0.0140    0.0102    0.0018 C   0  0  0  0  0  0  0  0  0
    0.0059   -1.1922   -0.0053 C   0  0  0  0  0  0  0  0  0
   -1.0063   -3.2328   -0.0057 O   0  0  0  0  0  0  0  0  0
    0.0291   -2.6304   -0.0119 C   0  0  0  0  0  0  0  0  0
   -1.1936    2.0867    0.0303 N   0  0  0  0  0  0  0  0  0
    1.2138   -3.2687   -0.0272 N   0  0  0  0  0  0  0  0  0
   -1.2060    3.0553    0.0355 H   0  0  0  0  0  0  0  0  0
   -2.0266    1.5897    0.0395 H   0  0  0  0  0  0  0  0  0
    1.2261   -4.2373   -0.0324 H   0  0  0  0  0  0  0  0  0
    2.0468   -2.7717   -0.0324 H   0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
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M  END
> <NSC>
65381   

> <STRCTYPE>
K   

$$$$
65423
          1016 111283D                        65423       
                                                                        
 30 32        1                 2 V2000
    9.1316   -0.8142    5.6200 N   0  0  0  0  0  0  0  0  0
    7.7883    0.0954    3.9059 N   0  0  0  0  0  0  0  0  0
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    7.9561   -1.1623    1.8204 N   0  3  0  0  0  0  0  0  0
    9.5911   -1.8110    4.8196 C   0  0  0  0  0  0  0  0  0
    9.1296   -1.8507    3.5163 C   0  0  0  0  0  0  0  0  0
    8.2360   -0.8895    3.1004 C   0  0  0  0  0  0  0  0  0
    8.6542   -2.2631    1.4682 C   0  0  0  0  0  0  0  0  0
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M  CHG  2   3  -1   5   1
M  END
> <NSC>
65423   

> <STRCTYPE>
K   

$$$$
65937
          1016 111283D                        65937       
                                                                        
 30 32        0                 1 V2000
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M  END
> <NSC>
65937   

> <STRCTYPE>
K   

$$$$
66300
          1016 111283D                        66300       
                                                                        
 33 32        1                 1 V2000
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    1.1636    1.8295    0.8631 N   0  0  0  0  0  0  0  0  0
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   -1.1565    0.6766   -4.9509 H   0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
> <NSC>
66300   

> <STRCTYPE>
K   

$$$$
66914
          1016 111283D                        66914       
                                                                        
 19 19        0                 1 V2000
    3.7638   -0.9932   -0.0243 Cl  0  0  0  0  0  0  0  0  0
    1.1174   -0.7068   -0.0021 N   0  0  0  0  0  0  0  0  0
    1.0386    3.7453    0.0268 Cl  0  0  0  0  0  0  0  0  0
   -0.0446    1.3137    0.0196 N   0  0  0  0  0  0  0  0  0
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   -0.0527   -0.0354    0.0105 C   0  0  0  0  0  0  0  0  0
    3.6386    2.0880   -0.0322 C   0  0  0  0  0  0  0  0  0
    4.1071    2.3421    1.4006 C   0  0  0  0  0  0  0  0  0
    5.4301    3.1028    1.4188 C   0  0  0  0  0  0  0  0  0
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    5.7372    3.2685    2.4412 H   0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
> <NSC>
66914   

> <STRCTYPE>
K   

$$$$
67574
          1016 111283D                        67574       
                                                                        
116124        1                 1 V2000
    6.9190   13.8849  -20.1687 N   0  0  0  0  0  0  0  0  0
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   10.1852   10.8413  -14.4778 N   0  0  0  0  0  0  0  0  0
    6.7419    9.5217  -18.1131 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
67574   

> <STRCTYPE>
K   

$$$$
67580
          1016 111283D                        67580       
                                                                        
 55 57        0                 1 V2000
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M  END
> <NSC>
67580   

> <STRCTYPE>
K   

$$$$
67690
          1016 111283D                        67690       
                                                                        
 50 54        0                 2 V2000
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    5.7344   12.8171   -7.8301 H   0  0  0  0  0  0  0  0  0
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    1.1065   11.0173   -1.6426 H   0  0  0  0  0  0  0  0  0
    5.5995   13.9635   -0.5860 H   0  0  0  0  0  0  0  0  0
    7.7080   14.6938   -1.6135 H   0  0  0  0  0  0  0  0  0
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    5.2293   11.2920    1.0696 H   0  0  0  0  0  0  0  0  0
    1.0678   10.4210    0.7400 H   0  0  0  0  0  0  0  0  0
    8.1060   10.9300   -3.5772 H   0  0  0  0  0  0  0  0  0
    3.1182   10.5569    2.0886 H   0  0  0  0  0  0  0  0  0
    1.7837   10.5711   -3.6384 H   0  0  0  0  0  0  0  0  0
    6.2041    8.0828   -3.6156 H   0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  1  3  4  0  0  0  0
  1 32  1  0  0  0  0
  2  6  4  0  0  0  0
  2  5  4  0  0  0  0
  3  4  4  0  0  0  0
  3 33  1  0  0  0  0
  4 11  4  0  0  0  0
  4 34  1  0  0  0  0
  5 12  4  0  0  0  0
  5 11  4  0  0  0  0
  6  9  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  7 35  1  0  0  0  0
  8 10  4  0  0  0  0
  8 36  1  0  0  0  0
  9 12  4  0  0  0  0
  9 13  4  0  0  0  0
 10 26  1  0  0  0  0
 10 13  4  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 16 41  1  0  0  0  0
 17 21  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 24  2  0  0  0  0
 20 44  1  0  0  0  0
 21 29  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 45  1  0  0  0  0
 23 25  2  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  2  0  0  0  0
 29 31  1  0  0  0  0
 29 30  2  0  0  0  0
 31 50  1  0  0  0  0
M  CHG  5   2   1   5   1   6   1   9   1  12   1
M  END
> <NSC>
67690   

> <STRCTYPE>
K   

$$$$
68075
          1016 111283D                        68075       
                                                                        
 99105        1                 1 V2000
    2.9290    6.0569   20.2538 H   0  0  0  0  0  0  0  0  0
    4.3052    7.6026   20.2523 N   0  0  0  0  0  0  0  0  0
   -0.0217    8.1166   23.2254 O   0  0  0  0  0  0  0  0  0
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   -0.1968    8.4830   15.7197 O   0  0  0  0  0  0  0  0  0
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   -1.3046    7.1067   17.7611 O   0  0  0  0  0  0  0  0  0
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    0.1294    3.8313   25.1959 O   0  0  0  0  0  0  0  0  0
   -0.0855    2.5237   24.6966 C   0  0  0  0  0  0  0  0  0
    2.2194    7.6581   21.5556 C   0  0  0  0  0  0  0  0  0
   -0.1128   10.6299   22.1230 O   0  0  0  0  0  0  0  0  0
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 31 45  1  0  0  0  0
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 43 44  1  0  0  0  0
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 51 52  1  0  0  0  0
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 52 95  1  0  0  0  0
 52 96  1  0  0  0  0
 53 97  1  0  0  0  0
 53 98  1  0  0  0  0
 53 99  1  0  0  0  0
M  END
> <NSC>
68075   

> <STRCTYPE>
K   

$$$$
69187
          1016 111283D                        69187       
                                                                        
 37 40        0                 1 V2000
   -0.0057    1.2826    0.4320 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
69187   

> <STRCTYPE>
K   

$$$$
69852
          1016 111283D                        69852       
                                                                        
 40 39        0                 1 V2000
   -7.5735  -11.3149    2.3189 N   0  0  0  0  0  0  0  0  0
   -6.3073  -10.7138    2.7066 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
69852   

> <STRCTYPE>
K   

$$$$
70422
          1016 111283D                        70422       
                                                                        
 32 34        1                 1 V2000
    2.0212    0.6298    0.9088 C   0  0  1  0  0  0  0  0  0
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M  END
> <NSC>
70422   

> <STRCTYPE>
K   

$$$$
70845
          1016 111283D                        70845       
                                                                        
105111        1                 1 V2000
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M  END
> <NSC>
70845   

> <STRCTYPE>
K   

$$$$
70929
          1016 111283D                        70929       
                                                                        
104111        1                 1 V2000
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M  END
> <NSC>
70929   

> <STRCTYPE>
K   

$$$$
71300
          1016 111283D                        71300       
                                                                        
 51 53        0                 1 V2000
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M  END
> <NSC>
71300   

> <STRCTYPE>
K   

$$$$
71851
          1016 111283D                        71851       
                                                                        
 32 34        1                 1 V2000
    5.8278   -4.1642   -6.1718 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
71851   

> <STRCTYPE>
K   

$$$$
72961
          1016 111283D                        72961       
                                                                        
 31 33        1                 1 V2000
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   10.4740   -3.4653    0.7374 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
72961   

> <STRCTYPE>
K   

$$$$
73306
          1016 111283D                        73306       
                                                                        
 37 39        0                 1 V2000
    0.5262    1.8368   -1.8507 Cl  0  0  0  0  0  0  0  0  0
   -2.6506    5.1192    1.0764 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
73306   

> <STRCTYPE>
K   

$$$$
73413
          1016 111283D                        73413       
                                                                        
 44 47        0                 2 V2000
    0.8377    0.3312    2.1787 N   0  0  0  0  0  0  0  0  0
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M  CHG  2  23   1  25  -1
M  END
> <NSC>
73413   

> <STRCTYPE>
K   

$$$$
74420
          1016 111283D                        74420       
                                                                        
 29 30        0                 1 V2000
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M  END
> <NSC>
74420   

> <STRCTYPE>
K   

$$$$
76747
          1016 111283D                        76747       
                                                                        
 37 40        0                 2 V2000
    1.7984    1.0533    0.2131 H   0  0  0  0  0  0  0  0  0
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M  CHG  2   3  -1  10   1
M  END
> <NSC>
76747   

> <STRCTYPE>
K   

$$$$
77021
          1016 111283D                        77021       
                                                                        
 54 57        1                 1 V2000
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M  END
> <NSC>
77021   

> <STRCTYPE>
K   

$$$$
78365
          1016 111283D                        78365       
                                                                        
 42 43        0                 1 V2000
   -1.5636    5.6978   -6.6728 Cl  0  0  0  0  0  0  0  0  0
   -1.2856    9.4844   -5.4022 C   0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END
> <NSC>
78365   

> <STRCTYPE>
K   

$$$$
79451
          1016 111283D                        79451       
                                                                        
 34 35        0                 2 V2000
    1.3220   -0.0754   -0.8185 C   0  0  0  0  0  0  0  0  0
    2.3682    0.7896   -0.5182 C   0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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 18 19  2  0  0  0  0
 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  4  14   1  16  -1  21   1  23  -1
M  END
> <NSC>
79451   

> <STRCTYPE>
K   

$$$$
79456
          1016 111283D                        79456       
                                                                        
 35 36        0                 2 V2000
    1.5980    1.3984    0.7336 C   0  0  0  0  0  0  0  0  0
    1.8071    0.0262    0.7221 C   0  0  0  0  0  0  0  0  0
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   -1.0413    5.9945   -2.0399 H   0  0  0  0  0  0  0  0  0
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   -0.6451    1.1001   -3.2010 H   0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  1 22  1  0  0  0  0
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 21 35  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
> <NSC>
79456   

> <STRCTYPE>
K   

$$$$
79688
          1016 111283D                        79688       
                                                                        
 55 57        0                 1 V2000
    5.5704  -15.1855   11.8135 O   0  0  0  0  0  0  0  0  0
    7.1731   -8.2816   12.9555 N   0  0  0  0  0  0  0  0  0
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   10.3989   -1.1157   11.5190 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
79688   

> <STRCTYPE>
K   

$$$$
80087
          1016 111283D                        80087       
                                                                        
 36 38        0                 2 V2000
    0.1856    1.7090   -0.0807 C   0  0  0  0  0  0  0  0  0
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M  CHG  3   7   1   9   1  13   1
M  END
> <NSC>
80087   

> <STRCTYPE>
K   

$$$$
80396
          1016 111283D                        80396       
                                                                        
 25 26        0                 1 V2000
    3.8311   -1.3428   -3.4276 S   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
80396   

> <STRCTYPE>
K   

$$$$
80756
          1016 111283D                        80756       
                                                                        
 43 45        0                 1 V2000
   -1.6198   -4.7393    1.4323 N   0  0  0  0  0  0  0  0  0
   -2.3968   -2.5329    1.2160 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
80756   

> <STRCTYPE>
K   

$$$$
82025
          1016 111283D                        82025       
                                                                        
 34 35        0                 2 V2000
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 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  4  14   1  16  -1  21   1  23  -1
M  END
> <NSC>
82025   

> <STRCTYPE>
K   

$$$$
82116
          1016 111283D                        82116       
                                                                        
 33 32        1                 1 V2000
    0.4140    5.7050    3.0748 N   0  0  0  0  0  0  0  0  0
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   -0.7554    5.2897    6.3450 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
82116   

> <STRCTYPE>
K   

$$$$
83265
          1016 111283D                        83265       
                                                                        
 47 49        1                 1 V2000
    2.0828    2.2844    1.1105 S   0  0  0  0  0  0  0  0  0
    2.5130    0.8428    0.0968 C   0  0  0  0  0  0  0  0  0
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    5.7228    2.0121   -1.5105 C   0  0  0  0  0  0  0  0  0
    6.6243    1.0767   -1.0386 C   0  0  0  0  0  0  0  0  0
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 25 45  1  0  0  0  0
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 26 47  1  0  0  0  0
M  END
> <NSC>
83265   

> <STRCTYPE>
K   

$$$$
84074
          1016 111283D                        84074       
                                                                        
 44 46        1                 2 V2000
   -0.2372    0.9766    4.2135 P   0  5  1  0  0  0  0  0  0
   -3.9387    3.6263    3.7208 C   0  0  0  0  0  0  0  0  0
   -3.0831    3.8258    4.7878 C   0  0  0  0  0  0  0  0  0
   -3.6779    2.6255    2.8033 C   0  0  0  0  0  0  0  0  0
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   -0.2005   -1.6238    1.0858 C   0  0  0  0  0  0  0  0  0
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M  CHG  1   1  -1
M  END
> <NSC>
84074   

> <STRCTYPE>
K   

$$$$
85236
          1016 111283D                        85236       
                                                                        
 37 39        1                 1 V2000
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 21 35  1  0  0  0  0
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 22 37  1  0  0  0  0
M  END
> <NSC>
85236   

> <STRCTYPE>
K   

$$$$
85561
          1016 111283D                        85561       
                                                                        
 44 47        0                 2 V2000
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M  CHG  2  23   1  25  -1
M  END
> <NSC>
85561   

> <STRCTYPE>
K   

$$$$
85998
          1016 111283D                        85998       
                                                                        
 33 32        1                 1 V2000
   -3.3331    0.5844   -2.4468 C   0  0  1  0  0  0  0  0  0
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M  END
> <NSC>
85998   

> <STRCTYPE>
K   

$$$$
86100
          1016 111283D                        86100       
                                                                        
 32 35        0                 1 V2000
   -0.0853    1.1342    0.3140 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
86100   

> <STRCTYPE>
K   

$$$$
87206
          1016 111283D                        87206       
                                                                        
 30 33        0                 1 V2000
   -0.0450    1.2383    0.0789 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
87206   

> <STRCTYPE>
K   

$$$$
89303
          1016 111283D                        89303       
                                                                        
 15 15        0                 1 V2000
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   -1.3853    1.8150    0.0183 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
89303   

> <STRCTYPE>
K   

$$$$
89671
          1016 111283D                        89671       
                                                                        
 44 45        1                 1 V2000
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M  END
> <NSC>
89671   

> <STRCTYPE>
K   

$$$$
90487
          1016 111283D                        90487       
                                                                        
 81 85        1                 1 V2000
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M  END
> <NSC>
90487   

> <STRCTYPE>
K   

$$$$
90636
          1016 111283D                        90636       
                                                                        
115124        1                 1 V2000
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M  END
> <NSC>
90636   

> <STRCTYPE>
K   

$$$$
90829
          1016 111283D                        90829       
                                                                        
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M  END
> <NSC>
90829   

> <STRCTYPE>
K   

$$$$
92339
          1016 111283D                        92339       
                                                                        
 62 66        1                 1 V2000
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M  END
> <NSC>
92339   

> <STRCTYPE>
K   

$$$$
92510
          1016 111283D                        92510       
                                                                        
 37 37        0                 1 V2000
    0.9439    3.8826   -0.1359 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
92510   

> <STRCTYPE>
K   

$$$$
93419
          1016 111283D                        93419       
                                                                        
 71 75        1                 1 V2000
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M  END
> <NSC>
93419   

> <STRCTYPE>
K   

$$$$
93739
          1016 111283D                        93739       
                                                                        
 42 44        0                 1 V2000
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M  END
> <NSC>
93739   

> <STRCTYPE>
K   

$$$$
95580
          1016 111283D                        95580       
                                                                        
 34 33        0                 1 V2000
    2.2239    6.7853   -3.7493 C   0  0  0  0  0  0  0  0  0
    2.7231    6.9987   -4.8267 O   0  0  0  0  0  0  0  0  0
   -6.8838    9.9956    0.1217 C   0  0  0  0  0  0  0  0  0
   -7.8913    9.3429    0.2462 O   0  0  0  0  0  0  0  0  0
    3.0684    6.2022   -2.6571 C   0  0  0  0  0  0  0  0  0
   -5.6875    9.3644    0.0084 N   0  0  0  0  0  0  0  0  0
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    0.9103    7.0898   -3.5876 N   0  0  0  0  0  0  0  0  0
    0.2066    6.8883   -2.3493 C   0  0  0  0  0  0  0  0  0
   -1.2407    7.3690   -2.4566 C   0  0  0  0  0  0  0  0  0
   -1.9930    7.1542   -1.1421 C   0  0  0  0  0  0  0  0  0
   -3.4371    7.6496   -1.2396 C   0  0  0  0  0  0  0  0  0
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   -5.6223    7.9282    0.0287 C   0  0  0  0  0  0  0  0  0
    4.0702    6.0460   -3.0284 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
95580   

> <STRCTYPE>
K   

$$$$
95678
          1016 111283D                        95678       
                                                                        
 21 21        0                 1 V2000
   -0.4446    1.6436   -0.1642 N   0  0  0  0  0  0  0  0  0
   -2.5794   -0.2150   -0.0520 N   0  0  0  0  0  0  0  0  0
   -0.2468    0.3024   -0.2218 C   0  0  0  0  0  0  0  0  0
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    1.8817    2.0571   -0.3321 C   0  0  0  0  0  0  0  0  0
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   -1.4073   -0.6464   -0.1588 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
95678   

> <STRCTYPE>
K   

$$$$
95848
          1016 111283D                        95848       
                                                                        
 38 40        1                 1 V2000
    1.8114   -1.9122    0.5152 O   0  0  0  0  0  0  0  0  0
    0.4006    0.3953   -2.4379 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
95848   

> <STRCTYPE>
K   

$$$$
96932
          1016 111283D                        96932       
                                                                        
 49 52        0                 2 V2000
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M  CHG  1   4   1
M  END
> <NSC>
96932   

> <STRCTYPE>
K   

$$$$
97338
          1016 111283D                        97338       
                                                                        
 88 94        1                 1 V2000
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M  END
> <NSC>
97338   

> <STRCTYPE>
K   

$$$$
97703
          1016 111283D                        97703       
                                                                        
 35 38        1                 1 V2000
    0.1068    1.4506    0.0093 O   0  0  0  0  0  0  0  0  0
    1.9343    2.7708   -0.3736 O   0  0  0  0  0  0  0  0  0
   -0.3163   -1.4768   -4.0303 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
97703   

> <STRCTYPE>
K   

$$$$
97911
          1016 111283D                        97911       
                                                                        
 41 42        0                 1 V2000
    0.7466    1.3590    0.7769 O   0  0  0  0  0  0  0  0  0
    3.8345   -1.8470    5.3057 N   0  0  0  0  0  0  0  0  0
    2.3583   -0.9609    3.0938 C   0  0  0  0  0  0  0  0  0
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    1.5567   -0.4703    2.0691 C   0  0  0  0  0  0  0  0  0
    1.5441    0.8863    1.7774 C   0  0  0  0  0  0  0  0  0
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    2.3543    1.7428    2.5139 C   0  0  0  0  0  0  0  0  0
   -0.6622    3.0750   -0.0037 C   0  0  0  0  0  0  0  0  0
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   -1.6001    4.0797    0.2009 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
97911   

> <STRCTYPE>
K   

$$$$
98447
          1016 111283D                        98447       
                                                                        
 20 20        0                 2 V2000
   -0.0659    1.2599    0.3019 C   0  0  0  0  0  0  0  0  0
    1.0196    1.9486   -0.2113 C   0  0  0  0  0  0  0  0  0
    0.0678   -0.0579    0.7052 C   0  0  0  0  0  0  0  0  0
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   -1.3758    1.9381    0.4259 N   0  3  0  0  0  0  0  0  0
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   -1.4960    3.0988    0.0770 O   0  5  0  0  0  0  0  0  0
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M  CHG  2   8   1  10  -1
M  END
> <NSC>
98447   

> <STRCTYPE>
K   

$$$$
98542
          1016 111283D                        98542       
                                                                        
 51 53        0                 1 V2000
   -1.6321   -3.9549   -5.1406 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
98542   

> <STRCTYPE>
K   

$$$$
98904
          1016 111283D                        98904       
                                                                        
 37 41        0                 2 V2000
   -0.0193    1.7804    0.0647 S   0  3  0  0  0  0  0  0  0
    0.0075   -0.0030    0.1062 C   0  0  0  0  0  0  0  0  0
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M  CHG  1   1   1
M  END
> <NSC>
98904   

> <STRCTYPE>
K   

$$$$
99016
          1016 111283D                        99016       
                                                                        
 52 57        1                 1 V2000
    0.0204    1.5050   -0.0344 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
99016   

> <STRCTYPE>
K   

$$$$
99027
          1016 111283D                        99027       
                                                                        
 20 21        0                 1 V2000
   -3.0033   -3.2260   -1.8349 Br  0  0  0  0  0  0  0  0  0
   -0.0668    1.3473    0.1968 O   0  0  0  0  0  0  0  0  0
    1.0308    3.2720    0.2815 O   0  0  0  0  0  0  0  0  0
   -1.1633   -0.7352    0.0991 C   0  0  0  0  0  0  0  0  0
   -1.1488   -2.1223    0.0025 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
99027   

> <STRCTYPE>
K   

$$$$
99733
          1016 111283D                        99733       
                                                                        
 18 19        0                 1 V2000
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M  END
> <NSC>
99733   

> <STRCTYPE>
K   

$$$$
100856
          1016 111283D                        100856      
                                                                        
 45 47        0                 1 V2000
    4.1555    8.1567   -2.8946 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
100856  

> <STRCTYPE>
K   

$$$$
102811
          1016 111283D                        102811      
                                                                        
 32 34        1                 1 V2000
    3.4909   -4.7973    3.4877 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
102811  

> <STRCTYPE>
K   

$$$$
102815
          1016 111283D                        102815      
                                                                        
 76 81        1                 1 V2000
    8.4442  -12.8560   -4.4445 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
102815  

> <STRCTYPE>
K   

$$$$
102866
          1016 111283D                        102866      
                                                                        
 35 38        1                 1 V2000
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M  END
> <NSC>
102866  

> <STRCTYPE>
K   

$$$$
103248
          1016 111283D                        103248      
                                                                        
105111        1                 1 V2000
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M  END
> <NSC>
103248  

> <STRCTYPE>
K   

$$$$
104117
          1016 111283D                        104117      
                                                                        
 44 46        0                 1 V2000
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M  END
> <NSC>
104117  

> <STRCTYPE>
K   

$$$$
104129
          1016 111283D                        104129      
                                                                        
 53 55        0                 1 V2000
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M  END
> <NSC>
104129  

> <STRCTYPE>
K   

$$$$
104801
          1016 111283D                        104801      
                                                                        
 25 25        0                 1 V2000
    0.0454    1.3446    0.0384 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
104801  

> <STRCTYPE>
K   

$$$$
105014
          1016 111283D                        105014      
                                                                        
 31 33        1                 1 V2000
    7.3549    1.0066    6.3647 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
105014  

> <STRCTYPE>
K   

$$$$
105808
          1016 111283D                        105808      
                                                                        
 19 20        0                 1 V2000
    2.1349    6.2335   -0.3137 Br  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
105808  

> <STRCTYPE>
K   

$$$$
106296
          1016 111283D                        106296      
                                                                        
 34 36        0                 1 V2000
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M  END
> <NSC>
106296  

> <STRCTYPE>
K   

$$$$
106408
          1016 111283D                        106408      
                                                                        
 43 45        1                 1 V2000
   -2.1844    4.4357   -2.5113 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
106408  

> <STRCTYPE>
K   

$$$$
106995
          1016 111283D                        106995      
                                                                        
 33 35        0                 1 V2000
    2.1603    5.4361   -8.2727 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
106995  

> <STRCTYPE>
K   

$$$$
107067
          1016 111283D                        107067      
                                                                        
 57 60        1                 1 V2000
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M  END
> <NSC>
107067  

> <STRCTYPE>
K   

$$$$
107412
          1016 111283D                        107412      
                                                                        
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 77126  1  0  0  0  0
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 78129  1  0  0  0  0
 79130  1  0  0  0  0
 79131  1  0  0  0  0
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 80133  1  0  0  0  0
 80134  1  0  0  0  0
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 81136  1  0  0  0  0
 81137  1  0  0  0  0
 81138  1  0  0  0  0
 82139  1  0  0  0  0
M  END
> <NSC>
107412  

> <STRCTYPE>
K   

$$$$
107415
          1016 111283D                        107415      
                                                                        
 31 34        1                 1 V2000
    0.0378    1.4285   -0.1101 N   0  0  0  0  0  0  0  0  0
    0.3755   -1.7091   -1.9215 O   0  0  0  0  0  0  0  0  0
   -0.4680   -3.7045   -2.5888 O   0  0  0  0  0  0  0  0  0
   -0.6372   -2.5559   -2.2591 C   0  0  0  0  0  0  0  0  0
   -1.9719   -1.9117   -2.1791 C   0  0  0  0  0  0  0  0  0
   -1.7180   -0.6727   -1.7735 C   0  0  0  0  0  0  0  0  0
   -0.2468   -0.4917   -1.5278 C   0  0  1  0  0  0  0  0  0
   -0.0238   -0.0426   -0.0703 C   0  0  1  0  0  0  0  0  0
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   -2.6499    0.4805   -1.5511 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
107415  

> <STRCTYPE>
K   

$$$$
109444
          1016 111283D                        109444      
                                                                        
 63 67        1                 1 V2000
    3.2753    1.6577    0.0759 N   0  0  0  0  0  0  0  0  0
   -1.4017    2.0394   -0.6000 N   0  0  0  0  0  0  0  0  0
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   -0.6063    1.0970    0.1965 C   0  0  2  0  0  0  0  0  0
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M  END
> <NSC>
109444  

> <STRCTYPE>
K   

$$$$
111041
          1016 111283D                        111041      
                                                                        
 21 22        0                 1 V2000
    2.5265   -0.2191    0.4193 O   0  0  0  0  0  0  0  0  0
    0.0485    0.0229    0.2585 H   0  0  0  0  0  0  0  0  0
    0.0180    0.9906    0.1873 N   0  0  0  0  0  0  0  0  0
   -2.1961    0.9063    0.0715 O   0  0  0  0  0  0  0  0  0
    2.5003    0.9863    0.3293 C   0  0  0  0  0  0  0  0  0
    1.1832    1.7083    0.1997 C   0  0  0  0  0  0  0  0  0
    3.7897    1.7637    0.3472 C   0  0  0  0  0  0  0  0  0
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   -0.1436    3.7762   -0.0246 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
111041  

> <STRCTYPE>
K   

$$$$
111119
          1016 111283D                        111119      
                                                                        
 34 35        0                 1 V2000
    0.9485    4.2163    1.2095 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
111119  

> <STRCTYPE>
K   

$$$$
113090
          1016 111283D                        113090      
                                                                        
 81 85        1                 1 V2000
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M  END
> <NSC>
113090  

> <STRCTYPE>
K   

$$$$
115493
          1016 111283D                        115493      
                                                                        
 79 82        1                 1 V2000
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M  END
> <NSC>
115493  

> <STRCTYPE>
K   

$$$$
115538
          1016 111283D                        115538      
                                                                        
 45 47        0                 1 V2000
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M  END
> <NSC>
115538  

> <STRCTYPE>
K   

$$$$
116535
          1016 111283D                        116535      
                                                                        
 29 31        0                 1 V2000
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M  END
> <NSC>
116535  

> <STRCTYPE>
K   

$$$$
116693
          1016 111283D                        116693      
                                                                        
 43 45        0                 2 V2000
   -2.3331   -1.1067    2.6115 C   0  0  0  0  0  0  0  0  0
   -3.1584   -0.8015    3.6825 C   0  0  0  0  0  0  0  0  0
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M  CHG  1  15  -1
M  END
> <NSC>
116693  

> <STRCTYPE>
K   

$$$$
117915
          1016 111283D                        117915      
                                                                        
 34 36        0                 2 V2000
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  3 11  2  0  0  0  0
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 12 26  1  0  0  0  0
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 17 21  1  0  0  0  0
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 18 30  1  0  0  0  0
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 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
> <NSC>
117915  

> <STRCTYPE>
K   

$$$$
118732
          1016 111283D                        118732      
                                                                        
 37 39        0                 2 V2000
    7.0607    0.8965    0.4330 N   0  0  0  0  0  0  0  0  0
    7.9901    1.1593    0.3593 H   0  0  0  0  0  0  0  0  0
    6.2451    2.1860   -1.2486 O   0  0  0  0  0  0  0  0  0
    3.6544    0.8878   -0.4770 N   0  0  0  0  0  0  0  0  0
    7.2331   -0.6925    2.3201 C   0  0  0  0  0  0  0  0  0
    6.5064   -1.5667    3.1229 C   0  0  0  0  0  0  0  0  0
    6.5529    0.0084    1.3331 C   0  0  0  0  0  0  0  0  0
    5.1861   -0.1499    1.1693 C   0  0  0  0  0  0  0  0  0
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    6.0766    1.3774   -0.3673 C   0  0  0  0  0  0  0  0  0
    4.4453   -0.9987    1.9826 C   0  0  0  0  0  0  0  0  0
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    4.6106   -2.3829    3.5800 H   0  0  0  0  0  0  0  0  0
    2.7906   -0.0439   -2.6007 H   0  0  0  0  0  0  0  0  0
    0.9808   -0.2501   -4.2108 H   0  0  0  0  0  0  0  0  0
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    2.5084   -0.2169    1.5358 H   0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  1  7  1  0  0  0  0
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 21 37  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  CHG  2  22   1  24  -1
M  END
> <NSC>
118732  

> <STRCTYPE>
K   

$$$$
118735
          1016 111283D                        118735      
                                                                        
 34 36        0                 2 V2000
    0.7220    2.2560   -0.0964 Cl  0  0  0  0  0  0  0  0  0
    1.3146   -2.6719   -0.4346 N   0  0  0  0  0  0  0  0  0
    1.1908   -3.6333   -0.4624 H   0  0  0  0  0  0  0  0  0
    3.5450   -2.6307   -0.8741 O   0  0  0  0  0  0  0  0  0
    3.1306    0.3725   -0.5687 N   0  0  0  0  0  0  0  0  0
   -1.0179   -1.9572    0.0461 C   0  0  0  0  0  0  0  0  0
   -1.8288   -0.8397    0.2317 C   0  0  0  0  0  0  0  0  0
    0.3346   -1.7528   -0.2012 C   0  0  0  0  0  0  0  0  0
    0.8523   -0.4692   -0.2340 C   0  0  0  0  0  0  0  0  0
   -1.2999    0.4475    0.1842 C   0  0  0  0  0  0  0  0  0
    2.3111   -0.5755   -0.4909 C   0  0  0  0  0  0  0  0  0
    2.5120   -2.0548   -0.6284 C   0  0  0  0  0  0  0  0  0
    0.0557    0.6494   -0.0465 C   0  0  0  0  0  0  0  0  0
    4.4565   -0.3491   -2.8168 C   0  0  0  0  0  0  0  0  0
    5.1380   -0.0887   -1.6308 C   0  0  0  0  0  0  0  0  0
    5.1314   -0.6965   -3.9770 C   0  0  0  0  0  0  0  0  0
    6.5143   -0.7826   -3.9636 C   0  0  0  0  0  0  0  0  0
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    7.2042   -0.5282   -2.7867 C   0  0  0  0  0  0  0  0  0
   -1.5965   -3.3425    0.1134 C   0  0  0  0  0  0  0  0  0
    4.3873    0.2528   -0.5397 N   0  0  0  0  0  0  0  0  0
    7.3061    0.0348   -0.5109 N   0  3  0  0  0  0  0  0  0
    8.5488   -0.1026   -0.5810 O   0  0  0  0  0  0  0  0  0
    6.7659    0.4321    0.7834 O   0  5  0  0  0  0  0  0  0
   -2.8567   -0.9641    0.4111 H   0  0  0  0  0  0  0  0  0
   -1.9294    1.2766    0.3238 H   0  0  0  0  0  0  0  0  0
    3.4096   -0.2842   -2.8450 H   0  0  0  0  0  0  0  0  0
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    7.0348   -1.0389   -4.8396 H   0  0  0  0  0  0  0  0  0
    8.2522   -0.5968   -2.7877 H   0  0  0  0  0  0  0  0  0
   -1.4154   -3.8617   -0.8161 H   0  0  0  0  0  0  0  0  0
   -1.1319   -3.8859    0.9234 H   0  0  0  0  0  0  0  0  0
   -2.6621   -3.3032    0.2897 H   0  0  0  0  0  0  0  0  0
    4.8283    0.4211    0.3121 H   0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
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  2  8  1  0  0  0  0
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 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
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M  CHG  2  22   1  24  -1
M  END
> <NSC>
118735  

> <STRCTYPE>
K   

$$$$
118742
          1016 111283D                        118742      
                                                                        
 30 30        0                 1 V2000
   -0.0142    1.3273    0.0092 N   0  0  0  0  0  0  0  0  0
    1.1864   -0.6679   -0.0122 N   0  0  0  0  0  0  0  0  0
    2.3115    1.3744   -0.0123 N   0  0  0  0  0  0  0  0  0
    2.3363    0.0295   -0.0194 C   0  0  0  0  0  0  0  0  0
    0.0035   -0.0217    0.0021 C   0  0  0  0  0  0  0  0  0
    1.1361    2.0314    0.0020 C   0  0  0  0  0  0  0  0  0
   -1.1697   -0.7204    0.0095 N   0  0  0  0  0  0  0  0  0
   -1.1886   -2.1619    0.0020 C   0  0  0  0  0  0  0  0  0
   -2.4227   -0.0106    0.0252 C   0  0  0  0  0  0  0  0  0
    1.1095    3.3962    0.0091 N   0  0  0  0  0  0  0  0  0
    2.3250    4.1716    0.0017 C   0  0  0  0  0  0  0  0  0
   -0.1543    4.0860    0.0245 C   0  0  0  0  0  0  0  0  0
    3.5178   -0.6359   -0.0337 N   0  0  0  0  0  0  0  0  0
    4.7729    0.0628   -0.0418 C   0  0  0  0  0  0  0  0  0
   -0.1962   -2.5888   -0.0098 H   0  0  0  0  0  0  0  0  0
   -1.6998   -2.5195    0.8842 H   0  0  0  0  0  0  0  0  0
   -1.7167   -2.5101   -0.8740 H   0  0  0  0  0  0  0  0  0
   -2.4967    0.6179   -0.8509 H   0  0  0  0  0  0  0  0  0
   -3.2600   -0.6941    0.0295 H   0  0  0  0  0  0  0  0  0
   -2.4800    0.6086    0.9091 H   0  0  0  0  0  0  0  0  0
    3.2109    3.5532   -0.0097 H   0  0  0  0  0  0  0  0  0
    2.3434    4.8032   -0.8748 H   0  0  0  0  0  0  0  0  0
    2.3598    4.7944    0.8839 H   0  0  0  0  0  0  0  0  0
   -0.7107    3.8084    0.9085 H   0  0  0  0  0  0  0  0  0
   -0.0145    5.1578    0.0286 H   0  0  0  0  0  0  0  0  0
   -0.7272    3.8173   -0.8517 H   0  0  0  0  0  0  0  0  0
    3.5045   -1.6060   -0.0386 H   0  0  0  0  0  0  0  0  0
    4.8392    0.6899   -0.9198 H   0  0  0  0  0  0  0  0  0
    4.8552    0.6815    0.8409 H   0  0  0  0  0  0  0  0  0
    5.5909   -0.6432   -0.0526 H   0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
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  2  5  2  0  0  0  0
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  3  4  2  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 21  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 30  1  0  0  0  0
M  END
> <NSC>
118742  

> <STRCTYPE>
K   

$$$$
118976
          1016 111283D                        118976      
                                                                        
 17 17        0                 1 V2000
    3.5619    3.4500   -0.6490 C   0  0  0  0  0  0  0  0  0
    2.3505    4.1219   -0.7266 C   0  0  0  0  0  0  0  0  0
    4.6687    3.9386   -1.3298 C   0  0  0  0  0  0  0  0  0
    2.2426    5.2821   -1.4801 C   0  0  0  0  0  0  0  0  0
    4.5630    5.0993   -2.0849 C   0  0  0  0  0  0  0  0  0
    3.3500    5.7711   -2.1596 C   0  0  0  0  0  0  0  0  0
    1.1510    3.5932    0.0138 C   0  0  0  0  0  0  0  0  0
    1.1834    4.0756    1.4067 N   0  0  0  0  0  0  0  0  0
    1.1364    5.3392    1.6330 C   0  0  0  0  0  0  0  0  0
    1.1028    6.7857    1.8971 S   0  0  0  0  0  0  0  0  0
    3.6438    2.5584   -0.0651 H   0  0  0  0  0  0  0  0  0
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    1.3083    5.7985   -1.5380 H   0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 11  1  0  0  0  0
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  3 12  1  0  0  0  0
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M  END
> <NSC>
118976  

> <STRCTYPE>
K   

$$$$
119686
          1016 111283D                        119686      
                                                                        
 32 35        0                 1 V2000
    0.2876    1.0556    1.6860 N   0  0  0  0  0  0  0  0  0
    4.8519   -2.7362   -1.3128 S   0  0  0  0  0  0  0  0  0
    3.6178   -0.6226   -0.1031 C   0  0  0  0  0  0  0  0  0
    3.5345   -1.9143   -0.6027 C   0  0  0  0  0  0  0  0  0
    2.4866   -0.0741    0.4972 C   0  0  0  0  0  0  0  0  0
    2.5555    1.1949    1.0667 C   0  0  0  0  0  0  0  0  0
    1.4371    1.7566    1.6590 C   0  0  0  0  0  0  0  0  0
    2.3595   -2.6552   -0.5663 C   0  0  0  0  0  0  0  0  0
    1.2859   -0.7927    0.5281 C   0  0  0  0  0  0  0  0  0
    1.2005   -2.0665   -0.0502 C   0  0  0  0  0  0  0  0  0
    2.5700   -3.9337   -1.0883 C   0  0  0  0  0  0  0  0  0
    4.3183   -5.2809   -2.1206 C   0  0  0  0  0  0  0  0  0
    3.8719   -4.1030   -1.5406 C   0  0  0  0  0  0  0  0  0
    3.4302   -6.3392   -2.2491 C   0  0  0  0  0  0  0  0  0
    2.1252   -6.2023   -1.7930 C   0  0  0  0  0  0  0  0  0
    1.6980   -5.0147   -1.2092 C   0  0  0  0  0  0  0  0  0
    0.1976   -0.1845    1.1548 C   0  0  0  0  0  0  0  0  0
    4.9162    0.1393   -0.2212 C   0  0  0  0  0  0  0  0  0
   -0.1176   -2.8032   -0.1258 C   0  0  0  0  0  0  0  0  0
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   -0.7284   -0.6654    1.2390 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
119686  

> <STRCTYPE>
K   

$$$$
123115
          1016 111283D                        123115      
                                                                        
 51 54        1                 1 V2000
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M  END
> <NSC>
123115  

> <STRCTYPE>
K   

$$$$
125176
          1016 111283D                        125176      
                                                                        
117122        1                 1 V2000
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M  END
> <NSC>
125176  

> <STRCTYPE>
K   

$$$$
126771
          1016 111283D                        126771      
                                                                        
 26 27        0                 1 V2000
    0.2000    2.6879    0.4919 O   0  0  0  0  0  0  0  0  0
    4.3904    5.7055   -0.3635 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
126771  

> <STRCTYPE>
K   

$$$$
126849
          1016 111283D                        126849      
                                                                        
 30 31        1                 1 V2000
    1.5079    0.5660   -0.7093 O   0  0  0  0  0  0  0  0  0
    5.5452   -3.1457   -3.2352 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
126849  

> <STRCTYPE>
K   

$$$$
128305
          1016 111283D                        128305      
                                                                        
 37 39        0                 1 V2000
    0.7713   -1.7113    5.2500 O   0  0  0  0  0  0  0  0  0
   -1.0778    0.7550    2.6952 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
128305  

> <STRCTYPE>
K   

$$$$
128734
          1016 111283D                        128734      
                                                                        
 24 27        0                 2 V2000
    0.0062    1.2676    0.0091 N   0  0  0  0  0  0  0  0  0
    3.4568   -0.8685   -0.0377 N   0  5  0  0  0  0  0  0  0
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M  CHG  2   2  -1   3   1
M  END
> <NSC>
128734  

> <STRCTYPE>
K   

$$$$
129943
          1016 111283D                        129943      
                                                                        
 35 36        1                 1 V2000
   -0.8725   -1.3605    2.4080 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
129943  

> <STRCTYPE>
K   

$$$$
132493
          1016 111283D                        132493      
                                                                        
 26 27        0                 1 V2000
    0.0580    4.2707    0.1369 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
132493  

> <STRCTYPE>
K   

$$$$
132791
          1016 111283D                        132791      
                                                                        
 69 73        1                 1 V2000
    2.6389   -1.0778    5.4861 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
132791  

> <STRCTYPE>
K   

$$$$
135996
          1016 111283D                        135996      
                                                                        
 35 37        1                 1 V2000
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M  END
> <NSC>
135996  

> <STRCTYPE>
K   

$$$$
136037
          1016 111283D                        136037      
                                                                        
 36 39        1                 1 V2000
    0.0407    1.3609   -0.0639 O   0  0  0  0  0  0  0  0  0
    1.5332    0.9046    2.3846 O   0  0  0  0  0  0  0  0  0
    3.2045    1.8335    1.2731 O   0  0  0  0  0  0  0  0  0
    2.0189    1.1638    1.3092 C   0  0  0  0  0  0  0  0  0
    1.3125    0.7519    0.0418 C   0  0  1  0  0  0  0  0  0
    0.0044   -0.0221    0.1801 C   0  0  0  0  0  0  0  0  0
    2.0876    0.8207   -1.2871 C   0  0  1  0  0  0  0  0  0
    4.0647    1.3920    0.2433 C   0  0  0  0  0  0  0  0  0
    3.4419    1.5417   -1.1452 C   0  0  1  0  0  0  0  0  0
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   -0.0783    1.0991   -4.4120 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
136037  

> <STRCTYPE>
K   

$$$$
136044
          1016 111283D                        136044      
                                                                        
 98103        1                 1 V2000
   -8.3759   -3.1765    1.3180 O   0  0  0  0  0  0  0  0  0
   -9.4180   -6.5911   -2.5663 O   0  0  0  0  0  0  0  0  0
   -8.9893   -3.0510   -6.8254 O   0  0  0  0  0  0  0  0  0
   -4.0848   -2.2901   -2.4167 O   0  0  0  0  0  0  0  0  0
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   -4.5218   -3.9006   -0.8464 O   0  0  0  0  0  0  0  0  0
   -4.2083   -4.9599   -1.7335 C   0  0  1  0  0  0  0  0  0
   -2.7100   -5.2966   -1.6986 C   0  0  1  0  0  0  0  0  0
   -1.9407   -4.0277   -2.0825 C   0  0  1  0  0  0  0  0  0
   -2.2889   -2.9425   -1.0590 C   0  0  0  0  0  0  0  0  0
   -3.7987   -2.7095   -1.0999 C   0  0  1  0  0  0  0  0  0
   -5.3104   -1.6038   -2.6050 C   0  0  1  0  0  0  0  0  0
   -5.2106   -1.0597   -4.0333 C   0  0  1  0  0  0  0  0  0
   -6.4337   -2.5917   -2.4226 C   0  0  0  0  0  0  0  0  0
   -6.9858   -2.7547   -1.1593 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
136044  

> <STRCTYPE>
K   

$$$$
138429
          1016 111283D                        138429      
                                                                        
 63 64        1                 1 V2000
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M  END
> <NSC>
138429  

> <STRCTYPE>
K   

$$$$
139105
          1016 111283D                        139105      
                                                                        
 55 57        0                 1 V2000
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M  END
> <NSC>
139105  

> <STRCTYPE>
K   

$$$$
139109
          1016 111283D                        139109      
                                                                        
 35 36        0                 2 V2000
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M  CHG  2  13   1  15  -1
M  END
> <NSC>
139109  

> <STRCTYPE>
K   

$$$$
140377
          1016 111283D                        140377      
                                                                        
 49 50        1                 1 V2000
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   -2.0711    2.1900   -3.0347 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
140377  

> <STRCTYPE>
K   

$$$$
140911
          1016 111283D                        140911      
                                                                        
 29 30        0                 1 V2000
   -1.9962   10.4418   -0.9045 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
140911  

> <STRCTYPE>
K   

$$$$
141539
          1016 111283D                        141539      
                                                                        
 47 49        1                 1 V2000
    0.3275   -4.4569    3.2053 O   0  0  0  0  0  0  0  0  0
    0.9181   -1.0836   -1.2763 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
141539  

> <STRCTYPE>
K   

$$$$
142982
          1016 111283D                        142982      
                                                                        
 49 51        0                 1 V2000
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M  END
> <NSC>
142982  

> <STRCTYPE>
K   

$$$$
143648
          1016 111283D                        143648      
                                                                        
 37 39        1                 1 V2000
    1.9847    1.8539   -3.0462 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
143648  

> <STRCTYPE>
K   

$$$$
145150
          1016 111283D                        145150      
                                                                        
 35 37        1                 1 V2000
   -1.3361   -0.0806   -0.4855 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
145150  

> <STRCTYPE>
K   

$$$$
145669
          1016 111283D                        145669      
                                                                        
 35 38        1                 1 V2000
    0.0116    0.1275    0.3516 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
145669  

> <STRCTYPE>
K   

$$$$
146268
          1016 111283D                        146268      
                                                                        
 28 29        1                 1 V2000
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M  END
> <NSC>
146268  

> <STRCTYPE>
K   

$$$$
146397
          1016 111283D                        146397      
                                                                        
 44 48        0                 2 V2000
    0.5977   -4.2521   -8.6849 O   0  0  0  0  0  0  0  0  0
   -0.4486   -6.3641   -8.6434 O   0  0  0  0  0  0  0  0  0
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M  CHG  1   3   1
M  END
> <NSC>
146397  

> <STRCTYPE>
K   

$$$$
146604
          1016 111283D                        146604      
                                                                        
 29 30        1                 1 V2000
    4.0478    0.9311   -1.6358 O   0  0  0  0  0  0  0  0  0
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    2.4260   -0.1768    0.1995 C   0  0  1  0  0  0  0  0  0
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M  END
> <NSC>
146604  

> <STRCTYPE>
K   

$$$$
147340
          1016 111283D                        147340      
                                                                        
 38 39        1                 1 V2000
    2.9893    3.2855    2.8823 N   0  0  0  0  0  0  0  0  0
    3.9733    3.1687    2.7370 H   0  0  0  0  0  0  0  0  0
    0.8988    4.1011    2.1872 C   0  0  2  0  0  0  0  0  0
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M  END
> <NSC>
147340  

> <STRCTYPE>
K   

$$$$
148958
          1016 111283D                        148958      
                                                                        
 23 24        1                 1 V2000
    0.1961    1.5431   -0.4130 O   0  0  0  0  0  0  0  0  0
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   -2.3992   -2.1940   -4.3943 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
148958  

> <STRCTYPE>
K   

$$$$
154020
          1016 111283D                        154020      
                                                                        
 39 42        1                 1 V2000
   10.5694    4.9608   -5.0226 N   0  0  0  0  0  0  0  0  0
   10.0174    3.9108   -5.9690 N   0  0  0  0  0  0  0  0  0
    7.8945    2.0041    0.0099 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
154020  

> <STRCTYPE>
K   

$$$$
154754
          1016 111283D                        154754      
                                                                        
 23 24        0                 1 V2000
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M  END
> <NSC>
154754  

> <STRCTYPE>
K   

$$$$
154890
          1016 111283D                        154890      
                                                                        
 49 52        0                 2 V2000
   -1.5060  -16.9263    0.9013 O   0  0  0  0  0  0  0  0  0
    0.0801  -15.4650   -0.9813 O   0  0  0  0  0  0  0  0  0
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M  CHG  1  13   1
M  END
> <NSC>
154890  

> <STRCTYPE>
K   

$$$$
155595
          1016 111283D                        155595      
                                                                        
 34 36        1                 1 V2000
   -0.0159    1.3943    0.0093 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
155595  

> <STRCTYPE>
K   

$$$$
156215
          1016 111283D                        156215      
                                                                        
111114        1                 1 V2000
   -3.3888   -2.6068   -2.9988 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
156215  

> <STRCTYPE>
K   

$$$$
157004
          1016 111283D                        157004      
                                                                        
 41 44        0                 1 V2000
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M  END
> <NSC>
157004  

> <STRCTYPE>
K   

$$$$
157389
          1016 111283D                        157389      
                                                                        
 56 57        1                 1 V2000
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M  END
> <NSC>
157389  

> <STRCTYPE>
K   

$$$$
157930
          1016 111283D                        157930      
                                                                        
 43 45        0                 2 V2000
   -0.0248    1.7506   -0.0007 S   0  5  0  0  0  0  0  0  0
    3.3410    3.8850   -2.2185 C   0  0  0  0  0  0  0  0  0
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M  CHG  1   1  -1
M  END
> <NSC>
157930  

> <STRCTYPE>
K   

$$$$
159935
          1016 111283D                        159935      
                                                                        
 28 28        0                 1 V2000
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M  END
> <NSC>
159935  

> <STRCTYPE>
K   

$$$$
163088
          1016 111283D                        163088      
                                                                        
 43 47        0                 2 V2000
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M  CHG  1   1   1
M  END
> <NSC>
163088  

> <STRCTYPE>
K   

$$$$
163443
          1016 111283D                        163443      
                                                                        
 52 56        0                 1 V2000
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M  END
> <NSC>
163443  

> <STRCTYPE>
K   

$$$$
163501
          1016 111283D                        163501      
                                                                        
 18 18        1                 1 V2000
   -1.2671   -1.1180    0.4052 Cl  0  0  0  0  0  0  0  0  0
   -0.0244    1.2111    0.4107 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
163501  

> <STRCTYPE>
K   

$$$$
164909
          1016 111283D                        164909      
                                                                        
 50 52        0                 1 V2000
    0.0251    2.0205   -0.0858 Sn  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
164909  

> <STRCTYPE>
K   

$$$$
164914
          1016 111283D                        164914      
                                                                        
 52 52        0                 1 V2000
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M  END
> <NSC>
164914  

> <STRCTYPE>
K   

$$$$
165563
          1016 111283D                        165563      
                                                                        
 75 79        1                 1 V2000
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M  END
> <NSC>
165563  

> <STRCTYPE>
K   

$$$$
165897
          1016 111283D                        165897      
                                                                        
 33 34        1                 1 V2000
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M  END
> <NSC>
165897  

> <STRCTYPE>
K   

$$$$
166381
          1016 111283D                        166381      
                                                                        
 52 55        0                 1 V2000
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M  END
> <NSC>
166381  

> <STRCTYPE>
K   

$$$$
166464
          1016 111283D                        166464      
                                                                        
 23 23        0                 1 V2000
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M  END
> <NSC>
166464  

> <STRCTYPE>
K   

$$$$
168221
          1016 111283D                        168221      
                                                                        
 34 36        0                 1 V2000
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M  END
> <NSC>
168221  

> <STRCTYPE>
K   

$$$$
168415
          1016 111283D                        168415      
                                                                        
 30 31        0                 1 V2000
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M  END
> <NSC>
168415  

> <STRCTYPE>
K   

$$$$
168597
          1016 111283D                        168597      
                                                                        
 41 40        0                 1 V2000
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M  END
> <NSC>
168597  

> <STRCTYPE>
K   

$$$$
169543
          1016 111283D                        169543      
                                                                        
 23 23        0                 2 V2000
    1.7225   -0.4019   -0.0166 S   0  0  0  0  0  0  0  0  0
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M  CHG  2   7   1   9  -1
M  END
> <NSC>
169543  

> <STRCTYPE>
K   

$$$$
169600
          1016 111283D                        169600      
                                                                        
 47 49        1                 1 V2000
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   -2.4133   -6.0780   -1.6844 O   0  0  0  0  0  0  0  0  0
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   -1.4021   -5.4945   -1.9964 C   0  0  0  0  0  0  0  0  0
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   -2.0829   -3.2827   -8.0785 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
169600  

> <STRCTYPE>
K   

$$$$
169774
          1016 111283D                        169774      
                                                                        
 83 89        1                 1 V2000
  -11.8412  -13.3482   -6.0756 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
169774  

> <STRCTYPE>
K   

$$$$
169779
          1016 111283D                        169779      
                                                                        
 35 36        1                 1 V2000
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M  END
> <NSC>
169779  

> <STRCTYPE>
K   

$$$$
172924
          1016 111283D                        172924      
                                                                        
 69 73        1                 1 V2000
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M  END
> <NSC>
172924  

> <STRCTYPE>
K   

$$$$
173904
          1016 111283D                        173904      
                                                                        
 60 61        1                 1 V2000
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M  END
> <NSC>
173904  

> <STRCTYPE>
K   

$$$$
173905
          1016 111283D                        173905      
                                                                        
 49 49        1                 1 V2000
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M  END
> <NSC>
173905  

> <STRCTYPE>
K   

$$$$
174163
          1016 111283D                        174163      
                                                                        
 19 20        0                 2 V2000
   -1.1704   -0.5817    0.0064 H   0  3  0  0  0  0  0  0  0
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M  CHG  1   1   1
M  END
> <NSC>
174163  

> <STRCTYPE>
K   

$$$$
174176
          1016 111283D                        174176      
                                                                        
 34 34        0                 2 V2000
    1.4589    3.7372   -0.2003 H   0  3  0  0  0  0  0  0  0
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M  CHG  1   1   1
M  END
> <NSC>
174176  

> <STRCTYPE>
K   

$$$$
174280
          1016 111283D                        174280      
                                                                        
 14 13        0                 1 V2000
   -0.0002    1.5291    0.0103 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
174280  

> <STRCTYPE>
K   

$$$$
175274
          1016 111283D                        175274      
                                                                        
 33 35        0                 1 V2000
   -0.4090   -0.2087   -0.6936 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
175274  

> <STRCTYPE>
K   

$$$$
175296
          1016 111283D                        175296      
                                                                        
 35 36        0                 1 V2000
    3.1146    1.5197    1.5690 O   0  0  0  0  0  0  0  0  0
    3.5714    6.6060    3.0547 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
175296  

> <STRCTYPE>
K   

$$$$
175634
          1016 111283D                        175634      
                                                                        
 29 31        1                 1 V2000
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M  END
> <NSC>
175634  

> <STRCTYPE>
K   

$$$$
175636
          1016 111283D                        175636      
                                                                        
 35 38        1                 1 V2000
    5.1773    4.3111   -0.0862 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
175636  

> <STRCTYPE>
K   

$$$$
176324
          1016 111283D                        176324      
                                                                        
 19 19        1                 1 V2000
   -1.2498   -1.1179    0.5121 Cl  0  0  0  0  0  0  0  0  0
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    1.4406   -2.3048    0.7224 H   0  0  0  0  0  0  0  0  0
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    3.9423    4.2791    0.3745 H   0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  2  3  1  0  0  0  0
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  5 10  1  0  0  0  0
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M  END
> <NSC>
176324  

> <STRCTYPE>
K   

$$$$
176655
          1016 111283D                        176655      
                                                                        
 31 34        0                 1 V2000
    3.3565    5.3758    0.1865 O   0  0  0  0  0  0  0  0  0
    3.4119    5.9258    2.4309 N   0  0  0  0  0  0  0  0  0
    0.7459    5.2671    2.4250 H   0  0  0  0  0  0  0  0  0
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    1.0970    4.6523   -0.4895 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
176655  

> <STRCTYPE>
K   

$$$$
178249
          1016 111283D                        178249      
                                                                        
 40 44        1                 1 V2000
    8.8764   25.8934    0.2844 O   0  0  0  0  0  0  0  0  0
   11.2448   24.0109    1.2385 H   0  0  0  0  0  0  0  0  0
    8.8956   23.9644    0.9843 H   0  0  0  0  0  0  0  0  0
    8.6069   25.3387    2.4892 O   0  0  0  0  0  0  0  0  0
   13.2125   25.4394    2.9718 O   0  0  0  0  0  0  0  0  0
   13.0659   26.7710    6.7806 O   0  0  0  0  0  0  0  0  0
   16.7820   25.5950    3.5729 C   0  0  0  0  0  0  0  0  0
   15.5571   25.3905    2.9459 C   0  0  0  0  0  0  0  0  0
   16.8288   26.0578    4.8794 C   0  0  0  0  0  0  0  0  0
   15.6616   26.3225    5.5803 C   0  0  0  0  0  0  0  0  0
   14.3829   25.6571    3.6450 C   0  0  0  0  0  0  0  0  0
   14.4299   26.1192    4.9585 C   0  0  0  0  0  0  0  0  0
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   16.5859   24.5770    0.9343 C   0  0  0  0  0  0  0  0  0
   10.5538   26.7932    6.7095 O   0  0  0  0  0  0  0  0  0
    9.3000   27.0474    7.3122 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
178249  

> <STRCTYPE>
K   

$$$$
180973
          1016 111283D                        180973      
                                                                        
 57 59        0                 1 V2000
   -6.8269   24.0788  -13.4312 O   0  0  0  0  0  0  0  0  0
   -7.8911   18.6941  -12.2778 C   0  0  0  0  0  0  0  0  0
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   -8.2422   22.1781  -13.6353 C   0  0  0  0  0  0  0  0  0
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   -4.7171   26.9566  -12.3792 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
180973  

> <STRCTYPE>
K   

$$$$
181486
          1016 111283D                        181486      
                                                                        
 76 83        1                 1 V2000
    3.5848    1.2570    6.1018 H   0  0  0  0  0  0  0  0  0
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    2.8303    4.0575   12.3892 O   0  0  0  0  0  0  0  0  0
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   -0.2714   -0.8279   10.7931 O   0  0  0  0  0  0  0  0  0
    1.4942    4.0840   16.3688 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
181486  

> <STRCTYPE>
K   

$$$$
182986
          1016 111283D                        182986      
                                                                        
 46 48        0                 1 V2000
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M  END
> <NSC>
182986  

> <STRCTYPE>
K   

$$$$
183359
          1016 111283D                        183359      
                                                                        
 52 53        0                 1 V2000
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M  END
> <NSC>
183359  

> <STRCTYPE>
K   

$$$$
184398
          1016 111283D                        184398      
                                                                        
 61 65        1                 1 V2000
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M  END
> <NSC>
184398  

> <STRCTYPE>
K   

$$$$
185056
          1016 111283D                        185056      
                                                                        
 37 38        0                 1 V2000
    9.5022    1.8420    0.6412 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
185056  

> <STRCTYPE>
K   

$$$$
185065
          1016 111283D                        185065      
                                                                        
 30 31        0                 1 V2000
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M  END
> <NSC>
185065  

> <STRCTYPE>
K   

$$$$
191384
          1016 111283D                        191384      
                                                                        
 39 40        0                 1 V2000
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M  END
> <NSC>
191384  

> <STRCTYPE>
K   

$$$$
191389
          1016 111283D                        191389      
                                                                        
 36 37        0                 1 V2000
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M  END
> <NSC>
191389  

> <STRCTYPE>
K   

$$$$
191392
          1016 111283D                        191392      
                                                                        
 33 34        0                 1 V2000
    8.8113    5.3940   -1.6151 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
191392  

> <STRCTYPE>
K   

$$$$
191393
          1016 111283D                        191393      
                                                                        
 33 34        0                 1 V2000
    0.7003   -1.7859   -1.1550 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
191393  

> <STRCTYPE>
K   

$$$$
196524
          1016 111283D                        196524      
                                                                        
 51 54        1                 1 V2000
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M  END
> <NSC>
196524  

> <STRCTYPE>
K   

$$$$
202000
          1016 111283D                        202000      
                                                                        
 27 29        0                 1 V2000
    1.0196   -1.9593   -1.5407 O   0  0  0  0  0  0  0  0  0
    6.3548    5.1542   -3.0648 Cl  0  0  0  0  0  0  0  0  0
   -0.2081   -0.4773   -0.3211 O   0  0  0  0  0  0  0  0  0
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   -0.6212    3.0371    1.0013 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
202000  

> <STRCTYPE>
K   

$$$$
204985
          1016 111283D                        204985      
                                                                        
 36 40        1                 1 V2000
   -0.3960    1.2670   -0.2445 O   0  0  0  0  0  0  0  0  0
    2.2734   -0.3902    0.1508 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
204985  

> <STRCTYPE>
K   

$$$$
208734
          1016 111283D                        208734      
                                                                        
111117        1                 1 V2000
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M  END
> <NSC>
208734  

> <STRCTYPE>
K   

$$$$
208913
          1016 111283D                        208913      
                                                                        
 50 52        1                 1 V2000
    2.8145    2.2806   -1.0817 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
208913  

> <STRCTYPE>
K   

$$$$
208914
          1016 111283D                        208914      
                                                                        
 44 46        0                 1 V2000
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M  END
> <NSC>
208914  

> <STRCTYPE>
K   

$$$$
211489
          1016 111283D                        211489      
                                                                        
 54 59        1                 1 V2000
    0.0878    0.2049   -0.5460 O   0  0  0  0  0  0  0  0  0
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   -3.0300   -5.1178   -2.0043 O   0  0  0  0  0  0  0  0  0
   -1.1287   -5.7804   -0.7722 O   0  0  0  0  0  0  0  0  0
   -2.5016   -2.7198   -1.9460 C   0  0  0  0  0  0  0  0  0
   -1.5842   -1.7780   -1.4928 C   0  0  0  0  0  0  0  0  0
   -2.2716   -4.0561   -1.6600 C   0  0  0  0  0  0  0  0  0
   -0.4546   -2.1627   -0.7724 C   0  0  0  0  0  0  0  0  0
   -1.1627   -4.4426   -0.9444 C   0  0  0  0  0  0  0  0  0
    0.4948   -1.0811   -0.3255 C   0  0  0  0  0  0  0  0  0
   -0.2417   -3.5113   -0.4919 C   0  0  0  0  0  0  0  0  0
    1.6720   -1.3643    0.2550 C   0  0  0  0  0  0  0  0  0
    2.5927   -0.2644    0.6961 C   0  0  1  0  0  0  0  0  0
    2.1973    1.0610    0.1150 C   0  0  0  0  0  0  0  0  0
    0.9886    1.2239   -0.4342 C   0  0  0  0  0  0  0  0  0
    0.6164    2.5823   -0.9446 C   0  0  0  0  0  0  0  0  0
   -0.6444    2.8111   -1.4818 C   0  0  0  0  0  0  0  0  0
   -0.9776    4.0742   -1.9531 C   0  0  0  0  0  0  0  0  0
    2.5473   -0.1718    2.1995 C   0  0  0  0  0  0  0  0  0
    3.7059   -0.3295    2.9505 C   0  0  0  0  0  0  0  0  0
    3.6803   -0.2366    4.3402 C   0  0  0  0  0  0  0  0  0
    1.3458    0.0730    2.8528 C   0  0  0  0  0  0  0  0  0
    2.4729    0.0143    4.9894 C   0  0  0  0  0  0  0  0  0
   -0.0494    5.1050   -1.8860 C   0  0  0  0  0  0  0  0  0
    1.5511    3.6116   -0.8728 C   0  0  0  0  0  0  0  0  0
    3.1408    2.2255    0.1405 C   0  0  0  0  0  0  0  0  0
    1.3110    0.1655    4.2367 C   0  0  0  0  0  0  0  0  0
    1.2091    4.8715   -1.3462 C   0  0  0  0  0  0  0  0  0
   -2.3629   -6.1887   -1.3485 C   0  0  0  0  0  0  0  0  0
    4.7955   -0.3784    5.1211 O   0  0  0  0  0  0  0  0  0
    5.9563   -0.9722    4.5738 C   0  0  0  0  0  0  0  0  0
    2.5000    0.0975    6.3550 O   0  0  0  0  0  0  0  0  0
    1.3066    0.3775    7.0587 C   0  0  0  0  0  0  0  0  0
   -3.3506   -2.4316   -2.4918 H   0  0  0  0  0  0  0  0  0
   -1.7479   -0.7607   -1.7002 H   0  0  0  0  0  0  0  0  0
    0.5917   -3.8409    0.0516 H   0  0  0  0  0  0  0  0  0
    1.9687   -2.3574    0.4131 H   0  0  0  0  0  0  0  0  0
    3.5933   -0.5010    0.3628 H   0  0  0  0  0  0  0  0  0
   -1.3457    2.0300   -1.5315 H   0  0  0  0  0  0  0  0  0
   -1.9304    4.2496   -2.3598 H   0  0  0  0  0  0  0  0  0
    4.6106   -0.5207    2.4565 H   0  0  0  0  0  0  0  0  0
    0.4578    0.1893    2.3022 H   0  0  0  0  0  0  0  0  0
   -0.2988    6.0611   -2.2433 H   0  0  0  0  0  0  0  0  0
    0.3920    0.3517    4.7061 H   0  0  0  0  0  0  0  0  0
    1.9114    5.6503   -1.2930 H   0  0  0  0  0  0  0  0  0
   -3.0044   -6.5552   -0.5584 H   0  0  0  0  0  0  0  0  0
   -2.1892   -6.9954   -2.0469 H   0  0  0  0  0  0  0  0  0
    6.7037   -1.0455    5.3504 H   0  0  0  0  0  0  0  0  0
    5.7407   -1.9679    4.2122 H   0  0  0  0  0  0  0  0  0
    6.3521   -0.3640    3.7731 H   0  0  0  0  0  0  0  0  0
    0.5730   -0.3964    6.8831 H   0  0  0  0  0  0  0  0  0
    1.5306    0.4049    8.1150 H   0  0  0  0  0  0  0  0  0
    0.9105    1.3397    6.7665 H   0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 27  2  0  0  0  0
  4  8  1  0  0  0  0
  4 30  1  0  0  0  0
  5 10  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 35  1  0  0  0  0
  7  9  1  0  0  0  0
  7 36  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  1  0  0  0
 14 39  1  6  0  0  0
 15 27  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 26  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 25  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 31  1  0  0  0  0
 22 24  2  0  0  0  0
 23 28  2  0  0  0  0
 23 43  1  0  0  0  0
 24 33  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 25 44  1  0  0  0  0
 26 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 32  1  0  0  0  0
 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 33 34  1  0  0  0  0
 34 52  1  0  0  0  0
 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
M  END
> <NSC>
211489  

> <STRCTYPE>
K   

$$$$
215989
          1016 111283D                        215989      
                                                                        
 29 31        0                 2 V2000
   -0.3209    1.0644   -0.7944 O   0  0  0  0  0  0  0  0  0
    0.5000    2.6444   -2.0845 O   0  0  0  0  0  0  0  0  0
   -1.1537   -0.6735    0.5681 C   0  0  0  0  0  0  0  0  0
   -0.9651   -1.6863    1.5005 C   0  0  0  0  0  0  0  0  0
   -0.0780    0.0828    0.1212 C   0  0  0  0  0  0  0  0  0
    0.3071   -1.9500    1.9911 C   0  0  0  0  0  0  0  0  0
    1.1928   -0.1861    0.6189 C   0  0  0  0  0  0  0  0  0
    1.3882   -1.1991    1.5495 C   0  0  0  0  0  0  0  0  0
    2.3494    0.6324    0.1381 C   0  0  0  0  0  0  0  0  0
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    0.7332    1.7996   -1.2540 C   0  0  0  0  0  0  0  0  0
    3.3015    2.4352   -1.2881 C   0  0  0  0  0  0  0  0  0
    4.6085    1.9581   -1.2217 C   0  0  0  0  0  0  0  0  0
    5.6706    2.7249   -1.6803 C   0  0  0  0  0  0  0  0  0
    3.0830    3.6963   -1.8376 C   0  0  0  0  0  0  0  0  0
    5.4427    3.9813   -2.2220 C   0  0  0  0  0  0  0  0  0
    4.1434    4.4643   -2.3038 C   0  0  0  0  0  0  0  0  0
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    7.8404    4.1262   -2.5303 O   0  5  0  0  0  0  0  0  0
   -2.1149   -0.4746    0.1956 H   0  0  0  0  0  0  0  0  0
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    0.4521   -2.7164    2.6955 H   0  0  0  0  0  0  0  0  0
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    3.3054    0.4403    0.5256 H   0  0  0  0  0  0  0  0  0
    4.8141    1.0081   -0.8258 H   0  0  0  0  0  0  0  0  0
    6.6534    2.3569   -1.6198 H   0  0  0  0  0  0  0  0  0
    2.1110    4.0880   -1.9056 H   0  0  0  0  0  0  0  0  0
    3.9612    5.4120   -2.7181 H   0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  2  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  CHG  2  18   1  20  -1
M  END
> <NSC>
215989  

> <STRCTYPE>
K   

$$$$
219734
          1016 111283D                        219734      
                                                                        
 72 77        0                 1 V2000
   11.2577  -10.2210   -0.1309 N   0  0  0  0  0  0  0  0  0
    6.0640    1.8054   -9.0509 N   0  0  0  0  0  0  0  0  0
   12.0096   -9.3060    1.9047 C   0  0  0  0  0  0  0  0  0
   12.4409   -8.2184    2.6510 C   0  0  0  0  0  0  0  0  0
   11.6564   -9.1389    0.5724 C   0  0  0  0  0  0  0  0  0
   12.5235   -6.9675    2.0548 C   0  0  0  0  0  0  0  0  0
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   10.5698  -11.2829   -2.1282 C   0  0  0  0  0  0  0  0  0
   10.9266  -10.1333   -1.4370 C   0  0  0  0  0  0  0  0  0
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   10.4534   -5.4725   -1.5602 C   0  0  0  0  0  0  0  0  0
    8.2228   -4.3967   -2.1458 C   0  0  0  0  0  0  0  0  0
    7.3132   -4.2777   -4.5613 C   0  0  0  0  0  0  0  0  0
    8.2956   -2.7957   -6.3555 C   0  0  0  0  0  0  0  0  0
    8.9742   -1.4612   -6.6566 C   0  0  0  0  0  0  0  0  0
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    9.2282   -5.5006   -2.4702 C   0  0  0  0  0  0  0  0  0
   11.9497  -10.2574    2.3456 H   0  0  0  0  0  0  0  0  0
   12.7035   -8.3429    3.6609 H   0  0  0  0  0  0  0  0  0
   12.8576   -6.1441    2.6157 H   0  0  0  0  0  0  0  0  0
   12.2469   -5.8504    0.2901 H   0  0  0  0  0  0  0  0  0
   10.5631  -12.2079   -1.6319 H   0  0  0  0  0  0  0  0  0
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   10.0905    0.7122   -7.3619 H   0  0  0  0  0  0  0  0  0
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   11.7697   -6.4594   -2.8403 H   0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 12  2  0  0  0  0
  2 24  1  0  0  0  0
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  3  5  1  0  0  0  0
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  3 39  1  0  0  0  0
  4  6  1  0  0  0  0
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M  END
> <NSC>
219734  

> <STRCTYPE>
K   

$$$$
221019
          1016 111283D                        221019      
                                                                        
 55 59        1                 1 V2000
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M  END
> <NSC>
221019  

> <STRCTYPE>
K   

$$$$
224117
          1016 111283D                        224117      
                                                                        
 42 42        1                 1 V2000
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M  END
> <NSC>
224117  

> <STRCTYPE>
K   

$$$$
224124
          1016 111283D                        224124      
                                                                        
 36 37        0                 1 V2000
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M  END
> <NSC>
224124  

> <STRCTYPE>
K   

$$$$
226080
          1016 111283D                        226080      
                                                                        
144147        1                 1 V2000
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M  END
> <NSC>
226080  

> <STRCTYPE>
K   

$$$$
233872
          1016 111283D                        233872      
                                                                        
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M  END
> <NSC>
233872  

> <STRCTYPE>
K   

$$$$
235082
          1016 111283D                        235082      
                                                                        
 38 41        0                 1 V2000
    0.0076    1.3660    0.0131 N   0  0  0  0  0  0  0  0  0
    6.3872   -0.0241   -3.1848 C   0  0  0  0  0  0  0  0  0
    6.6068   -0.9753   -2.1959 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
235082  

> <STRCTYPE>
K   

$$$$
240419
          1016 111283D                        240419      
                                                                        
 50 51        1                 1 V2000
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   16.6706   -4.6724    0.7303 C   0  0  0  0  0  0  0  0  0
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   12.7433   -4.4216    3.0535 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
240419  

> <STRCTYPE>
K   

$$$$
241509
          1016 111283D                        241509      
                                                                        
 47 47        1                 1 V2000
   10.7363   -4.3353    1.9539 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
241509  

> <STRCTYPE>
K   

$$$$
241906
          1016 111283D                        241906      
                                                                        
 50 52        0                 1 V2000
    9.3922  -13.3442   -3.8932 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
241906  

> <STRCTYPE>
K   

$$$$
243928
          1016 111283D                        243928      
                                                                        
 50 53        0                 1 V2000
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M  END
> <NSC>
243928  

> <STRCTYPE>
K   

$$$$
245432
          1016 111283D                        245432      
                                                                        
 56 56        1                 1 V2000
    8.5657   -3.4877   -9.4089 O   0  0  0  0  0  0  0  0  0
   10.1764   -7.9239   -6.3610 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
245432  

> <STRCTYPE>
K   

$$$$
249992
          1016 111283D                        249992      
                                                                        
 47 50        0                 1 V2000
   10.8135   -7.6151   -5.8424 N   0  0  0  0  0  0  0  0  0
    8.3078   -0.9361   -4.2772 C   0  0  0  0  0  0  0  0  0
    8.4562   -2.2587   -3.8824 C   0  0  0  0  0  0  0  0  0
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    9.5615   -2.7780   -5.9640 C   0  0  0  0  0  0  0  0  0
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   12.1265   -4.3640   -4.8609 C   0  0  0  0  0  0  0  0  0
   13.0556   -4.7471   -3.9014 C   0  0  0  0  0  0  0  0  0
    9.6934   -5.9681   -7.1413 C   0  0  0  0  0  0  0  0  0
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    8.0587   -6.6665   -8.7694 C   0  0  0  0  0  0  0  0  0
   13.2257   -6.0903   -3.5945 C   0  0  0  0  0  0  0  0  0
   11.5390   -6.6652   -5.2106 C   0  0  0  0  0  0  0  0  0
    9.9131   -7.2998   -6.8003 C   0  0  0  0  0  0  0  0  0
    8.2809   -7.9935   -8.4263 C   0  0  0  0  0  0  0  0  0
   12.4659   -7.0492   -4.2508 C   0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
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 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
> <NSC>
249992  

> <STRCTYPE>
K   

$$$$
253272
          1016 111283D                        253272      
                                                                        
 24 23        0                 1 V2000
    1.4901    2.3462    1.1080 N   0  0  0  0  0  0  0  0  0
    0.9299    1.8774   -0.1124 O   0  0  0  0  0  0  0  0  0
    2.3204    1.5421    1.8252 C   0  0  0  0  0  0  0  0  0
    2.8338    1.9165    2.8516 O   0  0  0  0  0  0  0  0  0
    1.6461    2.1858   -1.2303 C   0  0  0  0  0  0  0  0  0
    1.1921    1.8864   -2.3080 O   0  0  0  0  0  0  0  0  0
    1.1910    3.5965    1.5537 C   0  0  0  0  0  0  0  0  0
    1.6920    4.0369    2.5600 O   0  0  0  0  0  0  0  0  0
    0.2282    4.4669    0.8060 C   0  0  0  0  0  0  0  0  0
    2.5848    0.2870    1.3826 N   0  0  0  0  0  0  0  0  0
    2.8487    2.8159   -1.1804 N   0  0  0  0  0  0  0  0  0
    3.4642   -0.5829    2.1118 C   0  0  0  0  0  0  0  0  0
    3.5579    3.1369   -2.3868 C   0  0  0  0  0  0  0  0  0
   -0.6239    4.6676    1.4379 H   0  0  0  0  0  0  0  0  0
    0.7142    5.3977    0.5548 H   0  0  0  0  0  0  0  0  0
   -0.1059    3.9804   -0.0973 H   0  0  0  0  0  0  0  0  0
    2.1696   -0.0209    0.5624 H   0  0  0  0  0  0  0  0  0
    3.2337    3.0512   -0.3231 H   0  0  0  0  0  0  0  0  0
    4.4349   -0.1207    2.2227 H   0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  7  1  0  0  0  0
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  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
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M  END
> <NSC>
253272  

> <STRCTYPE>
K   

$$$$
258812
          1016 111283D                        258812      
                                                                        
 73 77        1                 1 V2000
  -19.7246  -14.4979  -12.2624 O   0  0  0  0  0  0  0  0  0
  -17.2522   -9.8640  -11.7121 O   0  0  0  0  0  0  0  0  0
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  -18.2840  -11.6503  -10.6682 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
258812  

> <STRCTYPE>
K   

$$$$
260610
          1016 111283D                        260610      
                                                                        
 74 79        0                 1 V2000
   -9.1753  -13.9087  -13.0483 N   0  0  0  0  0  0  0  0  0
    1.5121  -18.8230   -7.4908 N   0  0  0  0  0  0  0  0  0
   -9.0225  -11.5569  -13.2093 C   0  0  0  0  0  0  0  0  0
   -8.6429  -10.3371  -12.6655 C   0  0  0  0  0  0  0  0  0
   -8.8051  -12.7314  -12.5017 C   0  0  0  0  0  0  0  0  0
   -8.0400  -10.2968  -11.4161 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
260610  

> <STRCTYPE>
K   

$$$$
261726
          1016 111283D                        261726      
                                                                        
 17 18        0                 1 V2000
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   -0.0073   -0.0006    0.0814 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
261726  

> <STRCTYPE>
K   

$$$$
262665
          1016 111283D                        262665      
                                                                        
 48 51        0                 1 V2000
   -7.9107   -0.4328    2.9154 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
262665  

> <STRCTYPE>
K   

$$$$
264880
          1016 111283D                        264880      
                                                                        
 31 32        1                 1 V2000
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M  END
> <NSC>
264880  

> <STRCTYPE>
K   

$$$$
265211
          1016 111283D                        265211      
                                                                        
115121        1                 1 V2000
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M  END
> <NSC>
265211  

> <STRCTYPE>
K   

$$$$
265450
          1016 111283D                        265450      
                                                                        
 99105        1                 1 V2000
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M  END
> <NSC>
265450  

> <STRCTYPE>
K   

$$$$
265473
          1016 111283D                        265473      
                                                                        
 64 64        1                 1 V2000
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M  END
> <NSC>
265473  

> <STRCTYPE>
K   

$$$$
266535
          1016 111283D                        266535      
                                                                        
 35 38        1                 1 V2000
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M  END
> <NSC>
266535  

> <STRCTYPE>
K   

$$$$
267033
          1016 111283D                        267033      
                                                                        
 45 48        1                 1 V2000
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M  END
> <NSC>
267033  

> <STRCTYPE>
K   

$$$$
267213
          1016 111283D                        267213      
                                                                        
 27 27        0                 1 V2000
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M  END
> <NSC>
267213  

> <STRCTYPE>
K   

$$$$
267229
          1016 111283D                        267229      
                                                                        
 77 81        1                 1 V2000
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M  END
> <NSC>
267229  

> <STRCTYPE>
K   

$$$$
267461
          1016 111283D                        267461      
                                                                        
 36 38        1                 1 V2000
    2.4457   -0.8159    5.1368 C   0  0  0  0  0  0  0  0  0
    2.8457   -1.9880    5.7620 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
267461  

> <STRCTYPE>
K   

$$$$
267700
          1016 111283D                        267700      
                                                                        
 55 57        0                 1 V2000
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M  END
> <NSC>
267700  

> <STRCTYPE>
K   

$$$$
267712
          1016 111283D                        267712      
                                                                        
 69 74        1                 1 V2000
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M  END
> <NSC>
267712  

> <STRCTYPE>
K   

$$$$
268242
          1016 111283D                        268242      
                                                                        
 93 99        1                 1 V2000
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M  END
> <NSC>
268242  

> <STRCTYPE>
K   

$$$$
268251
          1016 111283D                        268251      
                                                                        
 90 92        1                 1 V2000
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M  END
> <NSC>
268251  

> <STRCTYPE>
K   

$$$$
268965
          1016 111283D                        268965      
                                                                        
 42 42        0                 1 V2000
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M  END
> <NSC>
268965  

> <STRCTYPE>
K   

$$$$
268986
          1016 111283D                        268986      
                                                                        
 44 47        0                 2 V2000
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M  CHG  1   1   1
M  END
> <NSC>
268986  

> <STRCTYPE>
K   

$$$$
269142
          1016 111283D                        269142      
                                                                        
 42 45        1                 1 V2000
   -1.5524    0.5113   -0.6156 C   0  0  2  0  0  0  0  0  0
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  7 14  1  0  0  0  0
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  8 15  1  0  0  0  0
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 22 42  1  0  0  0  0
M  END
> <NSC>
269142  

> <STRCTYPE>
K   

$$$$
269146
          1016 111283D                        269146      
                                                                        
152159        1                 1 V2000
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M  END
> <NSC>
269146  

> <STRCTYPE>
K   

$$$$
269148
          1016 111283D                        269148      
                                                                        
 70 75        1                 1 V2000
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M  END
> <NSC>
269148  

> <STRCTYPE>
K   

$$$$
273829
          1016 111283D                        273829      
                                                                        
 67 70        0                 1 V2000
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M  END
> <NSC>
273829  

> <STRCTYPE>
K   

$$$$
278619
          1016 111283D                        278619      
                                                                        
 32 31        1                 1 V2000
   -3.5140    1.6288    7.4808 C   0  0  2  0  0  0  0  0  0
   -4.2182    1.0552    8.0671 H   0  0  0  0  0  0  0  0  0
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   -2.9232    2.7106    8.3857 C   0  0  0  0  0  0  0  0  0
   -2.4465    0.6837    6.9897 C   0  0  0  0  0  0  0  0  0
   -1.3467    1.0973    6.7089 O   0  0  0  0  0  0  0  0  0
   -1.5855   -1.9368    5.0765 C   0  0  1  0  0  0  0  0  0
   -2.8191   -2.4936    4.6628 O   0  0  0  0  0  0  0  0  0
   -2.7021   -0.6431    6.8530 N   0  0  0  0  0  0  0  0  0
   -1.1967   -0.7512    4.1817 C   0  0  1  0  0  0  0  0  0
   -1.8944   -2.8717    7.3734 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
278619  

> <STRCTYPE>
K   

$$$$
281245
          1016 111283D                        281245      
                                                                        
 62 64        1                 1 V2000
   -3.2677   -1.0013    4.0772 C   0  0  2  0  0  0  0  0  0
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M  END
> <NSC>
281245  

> <STRCTYPE>
K   

$$$$
282752
          1016 111283D                        282752      
                                                                        
 54 56        1                 1 V2000
   -0.0239    1.4929    0.0451 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
282752  

> <STRCTYPE>
K   

$$$$
282880
          1016 111283D                        282880      
                                                                        
 79 78        0                 2 V2000
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M  CHG  2   4  -1   6   1
M  END
> <NSC>
282880  

> <STRCTYPE>
K   

$$$$
283162
          1016 111283D                        283162      
                                                                        
 36 36        0                 1 V2000
    0.9149    0.6712   -5.4615 N   0  0  0  0  0  0  0  0  0
   -1.1580    1.5302   -4.8534 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
283162  

> <STRCTYPE>
K   

$$$$
284356
          1016 111283D                        284356      
                                                                        
 32 36        1                 1 V2000
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M  END
> <NSC>
284356  

> <STRCTYPE>
K   

$$$$
284751
          1016 111283D                        284751      
                                                                        
 34 37        1                 1 V2000
    0.2584    1.2307   -0.6550 O   0  0  0  0  0  0  0  0  0
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   -1.4317   -0.1567    0.6694 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
284751  

> <STRCTYPE>
K   

$$$$
285166
          1016 111283D                        285166      
                                                                        
 18 19        0                 1 V2000
    0.0123    1.3940   -0.0354 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
285166  

> <STRCTYPE>
K   

$$$$
285223
          1016 111283D                        285223      
                                                                        
 33 35        1                 1 V2000
    0.2520    1.1262   -0.0643 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
285223  

> <STRCTYPE>
K   

$$$$
286193
          1016 111283D                        286193      
                                                                        
 29 30        1                 1 V2000
   -6.7963    1.8126    1.9033 N   0  0  0  0  0  0  0  0  0
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   -4.6043    2.4508    1.9844 C   0  0  0  0  0  0  0  0  0
   -5.8668    2.5593    2.5404 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
286193  

> <STRCTYPE>
K   

$$$$
288010
          1016 111283D                        288010      
                                                                        
 61 64        0                 1 V2000
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M  END
> <NSC>
288010  

> <STRCTYPE>
K   

$$$$
292147
          1016 111283D                        292147      
                                                                        
 29 32        1                 1 V2000
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M  END
> <NSC>
292147  

> <STRCTYPE>
K   

$$$$
292684
          1016 111283D                        292684      
                                                                        
 38 38        0                 1 V2000
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M  END
> <NSC>
292684  

> <STRCTYPE>
K   

$$$$
293015
          1016 111283D                        293015      
                                                                        
 53 55        0                 1 V2000
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M  END
> <NSC>
293015  

> <STRCTYPE>
K   

$$$$
293927
          1016 111283D                        293927      
                                                                        
 33 36        0                 1 V2000
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M  END
> <NSC>
293927  

> <STRCTYPE>
K   

$$$$
294577
          1016 111283D                        294577      
                                                                        
 52 54        1                 1 V2000
    0.3051    1.4759   -0.3394 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
294577  

> <STRCTYPE>
K   

$$$$
295156
          1016 111283D                        295156      
                                                                        
 17 17        0                 1 V2000
   -0.0514    1.4766   -0.0012 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
295156  

> <STRCTYPE>
K   

$$$$
296961
          1016 111283D                        296961      
                                                                        
 27 26        0                 1 V2000
    0.1350    2.3202   -0.8659 S   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
296961  

> <STRCTYPE>
K   

$$$$
299879
          1016 111283D                        299879      
                                                                        
 26 27        0                 2 V2000
    0.0101    1.3913    0.0110 O   0  0  0  0  0  0  0  0  0
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M  CHG  2  13   1  15  -1
M  END
> <NSC>
299879  

> <STRCTYPE>
K   

$$$$
302358
          1016 111283D                        302358      
                                                                        
 37 39        0                 2 V2000
    5.4661   -3.8233   -0.9139 C   0  0  0  0  0  0  0  0  0
    4.3662   -3.2135   -0.3248 C   0  0  0  0  0  0  0  0  0
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M  CHG  1  15   1
M  END
> <NSC>
302358  

> <STRCTYPE>
K   

$$$$
302979
          1016 111283D                        302979      
                                                                        
 57 59        1                 1 V2000
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M  END
> <NSC>
302979  

> <STRCTYPE>
K   

$$$$
304910
          1016 111283D                        304910      
                                                                        
 42 45        0                 1 V2000
    0.0657    1.2733    0.2396 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
304910  

> <STRCTYPE>
K   

$$$$
305782
          1016 111283D                        305782      
                                                                        
 34 36        0                 1 V2000
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M  END
> <NSC>
305782  

> <STRCTYPE>
K   

$$$$
305819
          1016 111283D                        305819      
                                                                        
 47 48        1                 1 V2000
   -0.8662    3.9299    3.3060 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
305819  

> <STRCTYPE>
K   

$$$$
305884
          1016 111283D                        305884      
                                                                        
 45 48        0                 1 V2000
    1.2442    1.8951    0.6178 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
305884  

> <STRCTYPE>
K   

$$$$
306864
          1016 111283D                        306864      
                                                                        
153162        1                 1 V2000
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M  END
> <NSC>
306864  

> <STRCTYPE>
K   

$$$$
306951
          1016 111283D                        306951      
                                                                        
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M  END
> <NSC>
306951  

> <STRCTYPE>
K   

$$$$
307454
          1016 111283D                        307454      
                                                                        
 28 28        0                 2 V2000
    0.5010   10.4873   -3.2979 C   0  0  0  0  0  0  0  0  0
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M  CHG  1   7   2
M  END
> <NSC>
307454  

> <STRCTYPE>
K   

$$$$
308847
          1016 111283D                        308847      
                                                                        
 38 40        0                 1 V2000
    2.4054   -1.8648   -0.2254 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
308847  

> <STRCTYPE>
K   

$$$$
310618
          1016 111283D                        310618      
                                                                        
 36 37        1                 1 V2000
    0.3899    1.4509    0.3461 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
310618  

> <STRCTYPE>
K   

$$$$
311153
          1016 111283D                        311153      
                                                                        
 56 60        0                 2 V2000
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 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  CHG  1  18   1
M  END
> <NSC>
311153  

> <STRCTYPE>
K   

$$$$
314622
          1016 111283D                        314622      
                                                                        
 42 46        0                 2 V2000
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M  CHG  3  11   1  16   1  17   1
M  END
> <NSC>
314622  

> <STRCTYPE>
K   

$$$$
316157
          1016 111283D                        316157      
                                                                        
 43 45        0                 1 V2000
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M  END
> <NSC>
316157  

> <STRCTYPE>
K   

$$$$
319726
          1016 111283D                        319726      
                                                                        
 30 31        0                 1 V2000
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M  END
> <NSC>
319726  

> <STRCTYPE>
K   

$$$$
320846
          1016 111283D                        320846      
                                                                        
 30 33        0                 1 V2000
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M  END
> <NSC>
320846  

> <STRCTYPE>
K   

$$$$
320864
          1016 111283D                        320864      
                                                                        
 32 34        0                 1 V2000
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M  END
> <NSC>
320864  

> <STRCTYPE>
K   

$$$$
321803
          1016 111283D                        321803      
                                                                        
 47 50        1                 2 V2000
   -0.1148    1.1366    0.2512 C   0  0  1  0  0  0  0  0  0
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M  CHG  2  24   1  26  -1
M  END
> <NSC>
321803  

> <STRCTYPE>
K   

$$$$
323241
          1016 111283D                        323241      
                                                                        
 43 45        0                 1 V2000
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 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END
> <NSC>
323241  

> <STRCTYPE>
K   

$$$$
324368
          1016 111283D                        324368      
                                                                        
 93 92        1                 2 V2000
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 30 79  1  0  0  0  0
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 31 32  1  0  0  0  0
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 35 91  1  0  0  0  0
 35 92  1  0  0  0  0
 35 93  1  0  0  0  0
M  CHG  2   5  -1   8   1
M  END
> <NSC>
324368  

> <STRCTYPE>
K   

$$$$
325319
          1016 111283D                        325319      
                                                                        
168171        1                 1 V2000
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M  END
> <NSC>
325319  

> <STRCTYPE>
K   

$$$$
326231
          1016 111283D                        326231      
                                                                        
 32 31        1                 2 V2000
   -4.9043   -2.4867    3.9465 S   0  0  0  0  0  0  0  0  0
   -3.6160   -2.5494    3.8846 O   0  0  0  0  0  0  0  0  0
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   -5.8947   -4.7640    1.8964 C   0  0  1  0  0  0  0  0  0
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   -4.9064   -2.4131    2.0347 C   0  0  0  0  0  0  0  0  0
   -3.9516   -2.5817    4.9685 N   0  0  0  0  0  0  0  0  0
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M  CHG  1   1   4
M  END
> <NSC>
326231  

> <STRCTYPE>
K   

$$$$
326397
          1016 111283D                        326397      
                                                                        
 15 16        0                 1 V2000
    0.0192    0.0068    0.0036 Cl  0  0  0  0  0  0  0  0  0
   -2.7321    1.5399    0.0470 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
326397  

> <STRCTYPE>
K   

$$$$
327697
          1016 111283D                        327697      
                                                                        
 38 40        0                 1 V2000
    1.5629    9.9113   -1.4716 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
327697  

> <STRCTYPE>
K   

$$$$
328426
          1016 111283D                        328426      
                                                                        
109115        1                 1 V2000
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 53100  1  0  0  0  0
 53101  1  0  0  0  0
 54102  1  0  0  0  0
 55103  1  0  0  0  0
 56104  1  0  0  0  0
 56105  1  0  0  0  0
 56106  1  0  0  0  0
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 57 59  1  0  0  0  0
 59107  1  0  0  0  0
 59108  1  0  0  0  0
 59109  1  0  0  0  0
M  END
> <NSC>
328426  

> <STRCTYPE>
K   

$$$$
328477
          1016 111283D                        328477      
                                                                        
 32 33        0                 2 V2000
   -0.0467    1.4975    0.2929 C   0  0  0  0  0  0  0  0  0
    0.9268    1.9501   -0.5837 C   0  0  0  0  0  0  0  0  0
    0.1183    0.3037    0.9869 C   0  0  0  0  0  0  0  0  0
    1.2872   -0.4453    0.8079 C   0  0  0  0  0  0  0  0  0
    2.0740    1.1963   -0.7730 C   0  0  0  0  0  0  0  0  0
    2.2580   -0.0020   -0.0909 C   0  0  0  0  0  0  0  0  0
    3.5392   -0.7512   -0.3882 C   0  0  0  0  0  0  0  0  0
    4.3448   -0.1548   -1.0599 O   0  0  0  0  0  0  0  0  0
    4.9824   -2.7225   -0.1708 C   0  0  0  0  0  0  0  0  0
    5.2201   -3.8862    0.5672 C   0  0  0  0  0  0  0  0  0
    5.9380   -2.3225   -1.1037 C   0  0  0  0  0  0  0  0  0
    7.1025   -3.0511   -1.3004 C   0  0  0  0  0  0  0  0  0
    6.3822   -4.6261    0.3587 C   0  0  0  0  0  0  0  0  0
    7.3240   -4.2071   -0.5690 C   0  0  0  0  0  0  0  0  0
    6.7150   -6.0950    1.2378 Cl  0  0  0  0  0  0  0  0  0
   -0.9029   -0.0621    1.8163 N   0  3  0  0  0  0  0  0  0
   -1.9067    0.6760    1.9372 O   0  0  0  0  0  0  0  0  0
   -0.9019   -1.2938    2.5930 O   0  5  0  0  0  0  0  0  0
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    7.8142   -2.7277   -2.0023 H   0  0  0  0  0  0  0  0  0
    8.2018   -4.7649   -0.7165 H   0  0  0  0  0  0  0  0  0
    0.9210   -1.8247    2.1339 H   0  0  0  0  0  0  0  0  0
    3.1345   -2.4562    0.5547 H   0  0  0  0  0  0  0  0  0
    3.3347   -4.7100    1.0968 H   0  0  0  0  0  0  0  0  0
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    3.9662   -3.5414    2.2568 H   0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
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 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
> <NSC>
328477  

> <STRCTYPE>
K   

$$$$
328587
          1016 111283D                        328587      
                                                                        
 23 25        0                 2 V2000
   -0.0296    1.6960    0.2267 O   0  3  0  0  0  0  0  0  0
    1.2227    2.0642    0.1696 N   0  5  0  0  0  0  0  0  0
    2.0162    1.2557   -0.5802 C   0  0  0  0  0  0  0  0  0
    3.4439    1.1343   -0.9966 C   0  0  0  0  0  0  0  0  0
    1.1897    0.3025   -1.0579 C   0  0  0  0  0  0  0  0  0
    3.7587   -0.3211   -1.4742 C   0  0  0  0  0  0  0  0  0
   -0.2148    0.4751   -0.5883 Se  0  2  0  0  0  0  0  0  0
    1.3116   -0.7762   -1.8559 C   0  0  0  0  0  0  0  0  0
    2.6970   -1.0279   -2.3774 C   0  0  0  0  0  0  0  0  0
    0.0460   -1.2890   -1.9119 N   0  0  0  0  0  0  0  0  0
   -0.8825   -0.6769   -1.2369 O   0  0  0  0  0  0  0  0  0
    5.0892   -0.3081   -2.2230 C   0  0  0  0  0  0  0  0  0
    3.9792   -1.1910   -0.2340 C   0  0  0  0  0  0  0  0  0
    3.6092    1.8246   -1.8130 H   0  0  0  0  0  0  0  0  0
    4.0962    1.4321   -0.1859 H   0  0  0  0  0  0  0  0  0
    2.7639   -0.6075   -3.3731 H   0  0  0  0  0  0  0  0  0
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    5.3834   -1.3113   -2.5013 H   0  0  0  0  0  0  0  0  0
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    3.1046   -1.2687    0.3896 H   0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
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 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  CHG  3   1   1   2  -1   7   2
M  END
> <NSC>
328587  

> <STRCTYPE>
K   

$$$$
328786
          1016 111283D                        328786      
                                                                        
 30 31        0                 1 V2000
    0.8669    3.3041   -0.3124 C   0  0  0  0  0  0  0  0  0
    1.6909    2.7756   -1.2946 C   0  0  0  0  0  0  0  0  0
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    2.7875    2.0066   -0.9315 C   0  0  0  0  0  0  0  0  0
    2.2447    2.2867    1.3927 C   0  0  0  0  0  0  0  0  0
    3.0747    1.7492    0.4070 C   0  0  0  0  0  0  0  0  0
    4.6241   -0.0204   -0.0602 C   0  0  0  0  0  0  0  0  0
    3.9107   -0.4504   -0.9347 O   0  0  0  0  0  0  0  0  0
    5.9910   -0.6292    0.0975 C   0  0  0  0  0  0  0  0  0
    6.2543   -1.8356   -0.5404 C   0  0  0  0  0  0  0  0  0
    6.9894   -0.0236    0.8536 C   0  0  0  0  0  0  0  0  0
    7.4997   -2.4370   -0.4207 C   0  0  0  0  0  0  0  0  0
    8.2367   -0.6248    0.9706 C   0  0  0  0  0  0  0  0  0
    8.4965   -1.8328    0.3347 C   0  0  0  0  0  0  0  0  0
    4.1592    0.9823    0.7359 N   0  0  0  0  0  0  0  0  0
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   10.4169   -2.0035    0.9737 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
328786  

> <STRCTYPE>
K   

$$$$
329277
          1016 111283D                        329277      
                                                                        
 38 40        0                 1 V2000
   -1.6358    0.7755   -1.9047 C   0  0  0  0  0  0  0  0  0
   -1.3300   -1.0730   -0.3548 O   0  0  0  0  0  0  0  0  0
   -1.1340    1.5345   -2.9529 C   0  0  0  0  0  0  0  0  0
   -0.9036   -0.2930   -1.3934 C   0  0  0  0  0  0  0  0  0
    0.3345   -0.6017   -1.9541 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
329277  

> <STRCTYPE>
K   

$$$$
329279
          1016 111283D                        329279      
                                                                        
 27 29        0                 1 V2000
    0.8608    1.7559   -0.3051 C   0  0  0  0  0  0  0  0  0
   -0.4311    1.2700   -0.3673 C   0  0  0  0  0  0  0  0  0
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   -0.3300   -0.1010   -0.2919 C   0  0  0  0  0  0  0  0  0
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    0.5542   -4.9441    0.0502 C   0  0  0  0  0  0  0  0  0
   -0.1794   -7.1434    0.1442 N   0  0  0  0  0  0  0  0  0
   -0.1807   -8.1127    0.1842 H   0  0  0  0  0  0  0  0  0
   -1.2869   -6.3504    0.1116 C   0  0  0  0  0  0  0  0  0
   -0.9350   -5.0126    0.0572 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
329279  

> <STRCTYPE>
K   

$$$$
330516
          1016 111283D                        330516      
                                                                        
 71 75        1                 1 V2000
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M  END
> <NSC>
330516  

> <STRCTYPE>
K   

$$$$
330753
          1016 111283D                        330753      
                                                                        
 80 84        1                 1 V2000
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M  END
> <NSC>
330753  

> <STRCTYPE>
K   

$$$$
330770
          1016 111283D                        330770      
                                                                        
 40 42        0                 1 V2000
   -1.4780    1.0515    3.3174 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
330770  

> <STRCTYPE>
K   

$$$$
331757
          1016 111283D                        331757      
                                                                        
 57 59        1                 1 V2000
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M  END
> <NSC>
331757  

> <STRCTYPE>
K   

$$$$
335142
          1016 111283D                        335142      
                                                                        
 37 40        0                 1 V2000
    0.3222    1.2907   -1.2159 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
335142  

> <STRCTYPE>
K   

$$$$
336628
          1016 111283D                        336628      
                                                                        
 27 28        0                 1 V2000
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    2.3076    4.5849    1.1990 N   0  0  0  0  0  0  0  0  0
    1.0855    3.9797    1.2503 C   0  0  0  0  0  0  0  0  0
    0.8465    3.0483    2.2044 O   0  0  0  0  0  0  0  0  0
   -3.9610    5.9942   -1.1874 H   0  0  0  0  0  0  0  0  0
   -4.2719    8.3648   -0.7291 H   0  0  0  0  0  0  0  0  0
   -3.0159    9.4404    1.0652 H   0  0  0  0  0  0  0  0  0
   -1.4513    8.1313    2.4051 H   0  0  0  0  0  0  0  0  0
   -1.1584    5.7730    1.9673 H   0  0  0  0  0  0  0  0  0
   -3.0748    3.8808   -0.3742 H   0  0  0  0  0  0  0  0  0
    1.8893    6.5878   -1.3043 H   0  0  0  0  0  0  0  0  0
    2.9867    4.3307    1.8421 H   0  0  0  0  0  0  0  0  0
    1.6276    2.9056    2.7248 H   0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
> <NSC>
336628  

> <STRCTYPE>
K   

$$$$
337612
          1016 111283D                        337612      
                                                                        
 41 45        0                 2 V2000
    3.0569   -3.3967   -2.8137 C   0  0  0  0  0  0  0  0  0
    2.9192   -2.0488   -2.5580 C   0  0  0  0  0  0  0  0  0
    4.1021   -4.1146   -2.2433 C   0  0  0  0  0  0  0  0  0
    3.8223   -1.3949   -1.7294 C   0  0  0  0  0  0  0  0  0
    5.0073   -3.4733   -1.4160 C   0  3  0  0  0  0  0  0  0
    4.8697   -2.1003   -1.1541 C   0  3  0  0  0  0  0  0  0
    6.2039   -3.9477   -0.6708 C   0  3  0  0  0  0  0  0  0
    6.6419   -5.0805   -0.6517 O   0  0  0  0  0  0  0  0  0
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    8.0675    1.0077   -3.8184 H   0  0  0  0  0  0  0  0  0
    7.6296    0.2983   -1.5017 H   0  0  0  0  0  0  0  0  0
  1  3  4  0  0  0  0
  1  2  4  0  0  0  0
  1 27  1  0  0  0  0
  2  4  4  0  0  0  0
  2 28  1  0  0  0  0
  3  5  4  0  0  0  0
  3 29  1  0  0  0  0
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  4 30  1  0  0  0  0
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 26 41  1  0  0  0  0
M  CHG  3   5   1   6   1   7   1
M  END
> <NSC>
337612  

> <STRCTYPE>
K   

$$$$
337851
          1016 111283D                        337851      
                                                                        
 95101        1                 1 V2000
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 53 94  1  0  0  0  0
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M  END
> <NSC>
337851  

> <STRCTYPE>
K   

$$$$
338259
          1016 111283D                        338259      
                                                                        
 32 36        0                 2 V2000
    0.0397    1.2938    0.3329 O   0  0  0  0  0  0  0  0  0
    2.1688    0.5410   -0.3375 O   0  0  0  0  0  0  0  0  0
   -1.4911   -4.5431    0.4697 N   0  3  0  0  0  0  0  0  0
    2.0496   -6.1602   -0.6578 C   0  0  0  0  0  0  0  0  0
    1.9816   -4.7695   -0.5587 C   0  0  0  0  0  0  0  0  0
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M  CHG  1   3   1
M  END
> <NSC>
338259  

> <STRCTYPE>
K   

$$$$
338720
          1016 111283D                        338720      
                                                                        
 22 22        0                 1 V2000
   -5.2150    3.1339    2.3919 Cl  0  0  0  0  0  0  0  0  0
   -4.0777    3.1766   -0.2855 Cl  0  0  0  0  0  0  0  0  0
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   -3.8167    5.5302    1.4009 Cl  0  0  0  0  0  0  0  0  0
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   -2.1245    3.4895    3.2631 C   0  0  0  0  0  0  0  0  0
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   -0.5150    3.2576    4.9982 O   0  0  0  0  0  0  0  0  0
   -0.5504    1.9239    1.6101 C   0  0  0  0  0  0  0  0  0
   -0.1247    2.1934    2.9033 C   0  0  0  0  0  0  0  0  0
    0.2295    1.1545    0.8013 O   0  0  0  0  0  0  0  0  0
    1.3869    1.5513    3.4854 Cl  0  0  0  0  0  0  0  0  0
    0.2895    4.4190    5.0738 C   0  0  0  0  0  0  0  0  0
   -0.2972    0.9159   -0.4893 C   0  0  0  0  0  0  0  0  0
    0.5802    4.5705    6.1034 H   0  0  0  0  0  0  0  0  0
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   -0.4274    1.8445   -1.0272 H   0  0  0  0  0  0  0  0  0
    0.3950    0.2933   -1.0372 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
338720  

> <STRCTYPE>
K   

$$$$
339004
          1016 111283D                        339004      
                                                                        
 33 35        0                 1 V2000
    0.5512    2.2155    0.0496 C   0  0  0  0  0  0  0  0  0
    1.7148    2.4443    0.7746 C   0  0  0  0  0  0  0  0  0
    0.4260    1.0538   -0.7029 C   0  0  0  0  0  0  0  0  0
    2.7492    1.5181    0.7462 C   0  0  0  0  0  0  0  0  0
    1.4587    0.1259   -0.7321 C   0  0  0  0  0  0  0  0  0
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    5.0671   -0.3517    0.6967 O   0  0  0  0  0  0  0  0  0
    3.4999   -2.0722    0.4904 O   0  0  0  0  0  0  0  0  0
    4.6218   -0.0648   -2.4561 C   0  0  0  0  0  0  0  0  0
    5.0171   -0.2868   -3.7697 C   0  0  0  0  0  0  0  0  0
    5.2057    0.7656   -4.6015 N   0  0  0  0  0  0  0  0  0
    4.4275    1.2080   -2.0380 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
339004  

> <STRCTYPE>
K   

$$$$
343513
          1016 111283D                        343513      
                                                                        
 52 54        1                 1 V2000
   -2.3716    1.7583    8.0494 F   0  0  0  0  0  0  0  0  0
   -3.4167    1.9438    7.2490 C   0  0  0  0  0  0  0  0  0
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   -7.2740    4.2540    1.2142 C   0  0  0  0  0  0  0  0  0
   -5.3356    5.2800    2.3061 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
343513  

> <STRCTYPE>
K   

$$$$
345081
          1016 111283D                        345081      
                                                                        
 40 42        0                 1 V2000
    0.8742   -5.8280   -4.5502 O   0  0  0  0  0  0  0  0  0
    1.5211   -7.0406   -4.4941 C   0  0  0  0  0  0  0  0  0
    2.3652   -7.2169   -5.5721 C   0  0  0  0  0  0  0  0  0
   -1.1718   -4.0682   -7.1681 O   0  0  0  0  0  0  0  0  0
    1.3407   -5.2294   -5.7171 C   0  0  0  0  0  0  0  0  0
    2.2458   -6.0761   -6.3356 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
345081  

> <STRCTYPE>
K   

$$$$
345647
          1016 111283D                        345647      
                                                                        
 66 71        1                 1 V2000
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M  END
> <NSC>
345647  

> <STRCTYPE>
K   

$$$$
352876
          1016 111283D                        352876      
                                                                        
 51 53        1                 1 V2000
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 27 51  1  0  0  0  0
M  END
> <NSC>
352876  

> <STRCTYPE>
K   

$$$$
352890
          1016 111283D                        352890      
                                                                        
 33 35        1                 1 V2000
    1.7455    0.4329   -3.2525 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
352890  

> <STRCTYPE>
K   

$$$$
356207
          1016 111283D                        356207      
                                                                        
100102        1                 1 V2000
   25.7100   22.8384   -5.2889 C   0  0  1  0  0  0  0  0  0
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M  END
> <NSC>
356207  

> <STRCTYPE>
K   

$$$$
400944
          1016 111283D                        400944      
                                                                        
 17 18        0                 1 V2000
    4.4390    4.3731   -0.4762 O   0  0  0  0  0  0  0  0  0
    4.6530    1.5950   -0.4122 O   0  0  0  0  0  0  0  0  0
   -0.0373    1.2938    0.0211 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
400944  

> <STRCTYPE>
K   

$$$$
400978
          1016 111283D                        400978      
                                                                        
 38 40        1                 1 V2000
    0.0027    0.0341   -0.3524 O   0  0  0  0  0  0  0  0  0
    2.7022    4.8997    0.0148 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
400978  

> <STRCTYPE>
K   

$$$$
403148
          1016 111283D                        403148      
                                                                        
 51 55        1                 1 V2000
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M  END
> <NSC>
403148  

> <STRCTYPE>
K   

$$$$
403883
          1016 111283D                        403883      
                                                                        
 42 44        1                 1 V2000
   -0.7636   -0.1566   -0.5411 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
403883  

> <STRCTYPE>
K   

$$$$
404241
          1016 111283D                        404241      
                                                                        
 32 34        1                 1 V2000
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M  END
> <NSC>
404241  

> <STRCTYPE>
K   

$$$$
405158
          1016 111283D                        405158      
                                                                        
 27 28        0                 1 V2000
    1.0206   -2.3969   -0.2898 Cl  0  0  0  0  0  0  0  0  0
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   -0.0471    1.4627   -0.4198 C   0  0  0  0  0  0  0  0  0
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    2.1666    3.5087    2.2705 C   0  0  0  0  0  0  0  0  0
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    2.0155    5.7431    0.9671 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
405158  

> <STRCTYPE>
K   

$$$$
406021
          1016 111283D                        406021      
                                                                        
 31 33        1                 1 V2000
    5.9869   -4.9458   -6.0452 N   0  0  0  0  0  0  0  0  0
    8.5244   -5.0149   -6.3502 S   0  0  0  0  0  0  0  0  0
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    6.0305   -3.3119   -0.0036 O   0  0  0  0  0  0  0  0  0
    6.3521   -4.2155   -2.0922 N   0  0  0  0  0  0  0  0  0
    7.2334   -4.8497   -5.4903 C   0  0  0  0  0  0  0  0  0
    7.2945   -4.5798   -4.0236 C   0  0  0  0  0  0  0  0  0
    6.0867   -4.4679   -3.3779 C   0  0  0  0  0  0  0  0  0
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    3.1139   -4.6761    1.0223 O   0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
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 11 21  1  0  0  0  0
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M  END
> <NSC>
406021  

> <STRCTYPE>
K   

$$$$
407010
          1016 111283D                        407010      
                                                                        
 31 33        0                 1 V2000
    1.9103    1.2521    0.1892 C   0  0  0  0  0  0  0  0  0
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   -0.9952   -2.4566    1.3670 C   0  0  0  0  0  0  0  0  0
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 10 18  1  0  0  0  0
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M  END
> <NSC>
407010  

> <STRCTYPE>
K   

$$$$
407335
          1016 111283D                        407335      
                                                                        
 33 34        1                 1 V2000
    1.4625    3.6413    0.2481 F   0  0  0  0  0  0  0  0  0
    1.1983    3.9873   -2.5741 O   0  0  0  0  0  0  0  0  0
    2.1565    2.0475   -3.0018 N   0  0  0  0  0  0  0  0  0
    2.0547    2.1831   -3.9545 H   0  0  0  0  0  0  0  0  0
    2.9147    0.6996   -1.2050 N   0  0  0  0  0  0  0  0  0
    3.1023    0.0996   -3.3528 O   0  0  0  0  0  0  0  0  0
    4.9479   -0.2277   -0.6766 O   0  0  0  0  0  0  0  0  0
    2.4757    1.6213   -0.2866 C   0  0  0  0  0  0  0  0  0
    1.8811    2.7609   -0.6618 C   0  0  0  0  0  0  0  0  0
    1.7154    2.9883   -2.1362 C   0  0  0  0  0  0  0  0  0
    5.1484    0.1846    0.6595 C   0  0  1  0  0  0  0  0  0
    4.1937   -0.6352    1.5261 C   0  0  1  0  0  0  0  0  0
    3.1655   -1.1462    0.5215 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
407335  

> <STRCTYPE>
K   

$$$$
407806
          1016 111283D                        407806      
                                                                        
 61 65        1                 1 V2000
   -0.6705    0.2820    1.0293 O   0  0  0  0  0  0  0  0  0
   -1.5519    1.4883   -0.6802 O   0  0  0  0  0  0  0  0  0
   -0.6300    1.2283    0.0539 C   0  0  0  0  0  0  0  0  0
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    3.1033    2.9412    2.1228 C   0  0  1  0  0  0  0  0  0
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    4.8861    2.8010    0.5308 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
407806  

> <STRCTYPE>
K   

$$$$
408120
          1016 111283D                        408120      
                                                                        
 30 32        0                 1 V2000
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M  END
> <NSC>
408120  

> <STRCTYPE>
K   

$$$$
521777
          1016 111283D                        521777      
                                                                        
 79 82        1                 1 V2000
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 37 77  1  0  0  0  0
 37 78  1  0  0  0  0
 37 79  1  0  0  0  0
M  END
> <NSC>
521777  

> <STRCTYPE>
K   

$$$$
529469
          1016 111283D                        529469      
                                                                        
 17 16        1                 1 V2000
    0.3620    1.4856   -1.0406 C   0  0  0  0  0  0  0  0  0
    0.1989    0.3049   -0.3964 O   0  0  0  0  0  0  0  0  0
    1.4433    1.7305   -1.5926 O   0  0  0  0  0  0  0  0  0
   -0.7643    2.4805   -1.0781 C   0  0  1  0  0  0  0  0  0
   -0.4419    3.6418   -1.9018 N   0  0  0  0  0  0  0  0  0
   -2.0303    1.7784   -1.5678 C   0  0  0  0  0  0  0  0  0
   -3.1469    2.7057   -1.5566 N   0  0  0  0  0  0  0  0  0
   -3.3530    3.2542   -0.2171 O   0  0  0  0  0  0  0  0  0
   -4.3824    2.0559   -2.0757 N   0  0  0  0  0  0  0  0  0
   -5.4039    2.7457   -2.2800 O   0  0  0  0  0  0  0  0  0
    1.0242   -0.1634   -0.4610 H   0  0  0  0  0  0  0  0  0
   -0.9308    2.8131   -0.0635 H   0  0  0  0  0  0  0  0  0
   -0.2589    3.3990   -2.8556 H   0  0  0  0  0  0  0  0  0
   -1.1507    4.3464   -1.8442 H   0  0  0  0  0  0  0  0  0
   -1.8816    1.4180   -2.5752 H   0  0  0  0  0  0  0  0  0
   -2.2598    0.9445   -0.9198 H   0  0  0  0  0  0  0  0  0
   -4.1110    3.8306   -0.2502 H   0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2 11  1  0  0  0  0
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  4  6  1  6  0  0  0
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  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <NSC>
529469  

> <STRCTYPE>
K   

$$$$
600300
          1016 111283D                        600300      
                                                                        
 45 44        0                 2 V2000
   -0.7093   -2.0251    1.5132 C   0  0  0  0  0  0  0  0  0
   -0.3578   -0.2553    1.8564 Si  0  0  0  0  0  0  0  0  0
   -0.9709    0.8780    0.6195 C   0  0  0  0  0  0  0  0  0
   -1.0946    0.1267    3.5024 C   0  0  0  0  0  0  0  0  0
    1.5646    0.0484    1.7457 C   0  0  0  0  0  0  0  0  0
    2.5689   -0.4445    2.6605 N   0  2  0  0  0  0  0  0  0
    3.8251   -1.9111    2.3976 Pt  0  0  0  0  0  0  0  0  0
    5.3607   -3.1173    2.6372 Cl  0  3  0  0  0  0  0  0  0
    2.7941   -2.5278    0.8334 Cl  0  3  0  0  0  0  0  0  0
    4.5312   -0.9433    3.8908 N   0  2  0  0  0  0  0  0  0
    5.5377   -1.1932    4.9104 C   0  0  0  0  0  0  0  0  0
    7.3337   -0.4333    4.9316 Si  0  0  0  0  0  0  0  0  0
    8.0476   -1.1235    6.4170 C   0  0  0  0  0  0  0  0  0
    8.2501   -0.9834    3.4281 C   0  0  0  0  0  0  0  0  0
    7.4098    1.4011    4.9201 C   0  0  0  0  0  0  0  0  0
    1.8335   -0.1642    3.3343 H   0  0  0  0  0  0  0  0  0
    2.5296   -0.2493    3.6799 H   0  0  0  0  0  0  0  0  0
    4.8259   -0.0988    3.3394 H   0  0  0  0  0  0  0  0  0
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   -0.8939   -0.5500    4.3214 H   0  0  0  0  0  0  0  0  0
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    5.7226   -2.2521    5.0246 H   0  0  0  0  0  0  0  0  0
    8.0483   -2.2068    6.3938 H   0  0  0  0  0  0  0  0  0
    9.0679   -0.7822    6.4618 H   0  0  0  0  0  0  0  0  0
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    6.9379    1.8288    5.7851 H   0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
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M  CHG  4   6   2   8   1   9   1  10   2
M  END
> <NSC>
600300  

> <STRCTYPE>
K   

$$$$
600305
          1016 111283D                        600305      
                                                                        
 50 52        0                 1 V2000
    8.6885    6.3280    1.9439 C   0  0  0  0  0  0  0  0  0
    9.2860    7.1140    2.9233 C   0  0  0  0  0  0  0  0  0
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    9.3546    8.9678    1.3737 C   0  0  0  0  0  0  0  0  0
    8.7621    8.1810    0.3958 C   0  0  0  0  0  0  0  0  0
    8.4301    6.8675    0.6911 C   0  0  0  0  0  0  0  0  0
    7.7881    6.0963   -0.4157 C   0  0  0  0  0  0  0  0  0
    7.5747    6.7193   -1.6087 N   0  0  0  0  0  0  0  0  0
    7.9638    8.0247   -1.7679 C   0  0  0  0  0  0  0  0  0
    6.9736    6.0203   -2.6204 C   0  0  0  0  0  0  0  0  0
    6.7287    6.5723   -3.8205 C   0  0  0  0  0  0  0  0  0
    7.1443    7.9972   -4.0680 C   0  0  0  0  0  0  0  0  0
    7.7364    8.6938   -3.0902 C   0  0  0  0  0  0  0  0  0
    8.5047    8.6828   -0.8450 N   0  0  0  0  0  0  0  0  0
    9.5674    6.5241    4.2830 C   0  0  0  0  0  0  0  0  0
   11.0571    6.5928    4.6242 C   0  0  0  0  0  0  0  0  0
    8.7217    7.2108    5.3567 C   0  0  0  0  0  0  0  0  0
    7.4657    4.9433   -0.2519 O   0  0  0  0  0  0  0  0  0
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    5.8936    6.3653   -5.9959 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
600305  

> <STRCTYPE>
K   

$$$$
600681
          1016 111283D                        600681      
                                                                        
 51 54        1                 1 V2000
   -0.0342    1.2512    0.0038 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
600681  

> <STRCTYPE>
K   

$$$$
601101
          1016 111283D                        601101      
                                                                        
 49 51        0                 1 V2000
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M  END
> <NSC>
601101  

> <STRCTYPE>
K   

$$$$
602617
          1016 111283D                        602617      
                                                                        
 28 30        0                 1 V2000
   -0.0200    1.3178    0.0090 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
602617  

> <STRCTYPE>
K   

$$$$
603108
          1016 111283D                        603108      
                                                                        
 38 39        0                 1 V2000
   -1.6128    1.4787   -1.1342 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
603108  

> <STRCTYPE>
K   

$$$$
603169
          1016 111283D                        603169      
                                                                        
 88 94        0                 2 V2000
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M  END
> <NSC>
603169  

> <STRCTYPE>
K   

$$$$
603624
          1016 111283D                        603624      
                                                                        
 51 53        0                 1 V2000
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M  END
> <NSC>
603624  

> <STRCTYPE>
K   

$$$$
603719
          1016 111283D                        603719      
                                                                        
 16 17        0                 1 V2000
   -0.0156    1.4032    0.0381 C   0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
> <NSC>
603719  

> <STRCTYPE>
K   

$$$$
604535
          1016 111283D                        604535      
                                                                        
 45 47        1                 1 V2000
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 28 45  1  0  0  0  0
M  END
> <NSC>
604535  

> <STRCTYPE>
K   

$$$$
605583
          1016 111283D                        605583      
                                                                        
 73 72        0                 2 V2000
    3.2468   -3.1193   -1.5790 P   0  0  0  0  0  0  0  0  0
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M  CHG  2   3  -1   7   1
M  END
> <NSC>
605583  

> <STRCTYPE>
K   

$$$$
605756
          1016 111283D                        605756      
                                                                        
 27 29        0                 1 V2000
    0.0089    1.3624    0.0078 C   0  0  0  0  0  0  0  0  0
   -0.0012   -0.0266    0.0012 C   0  0  0  0  0  0  0  0  0
    1.1920   -0.7387   -0.0133 C   0  0  0  0  0  0  0  0  0
    2.4003   -0.0521   -0.0207 C   0  0  0  0  0  0  0  0  0
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    1.2181    2.0479    0.0007 C   0  0  0  0  0  0  0  0  0
    1.2590    3.4368    0.0078 C   0  0  0  0  0  0  0  0  0
    2.4812    4.0980    0.0000 C   0  0  0  0  0  0  0  0  0
    3.6552    3.3491   -0.0146 C   0  0  0  0  0  0  0  0  0
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    3.7856    6.1201   -0.0012 C   0  0  0  0  0  0  0  0  0
    4.9582    5.3746   -0.0161 C   0  0  0  0  0  0  0  0  0
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    1.1709   -2.0978   -0.0203 N   0  0  0  0  0  0  0  0  0
   -0.9006    1.8883    0.0181 H   0  0  0  0  0  0  0  0  0
   -0.9160   -0.5422    0.0072 H   0  0  0  0  0  0  0  0  0
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    1.9991   -2.6041   -0.0308 H   0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
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  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
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  4  5  2  0  0  0  0
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 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 23  1  0  0  0  0
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M  END
> <NSC>
605756  

> <STRCTYPE>
K   

$$$$
606532
          1016 111283D                        606532      
                                                                        
 22 22        0                 2 V2000
    0.0388    1.4643    0.2255 C   0  0  0  0  0  0  0  0  0
    0.0379    0.0856    0.0639 C   0  0  0  0  0  0  0  0  0
    1.2296   -0.6024   -0.1113 C   0  0  0  0  0  0  0  0  0
    2.4114    0.1174   -0.2575 C   0  0  0  0  0  0  0  0  0
    2.4206    1.4786   -0.0186 C   0  0  0  0  0  0  0  0  0
    1.2419    2.1652    0.2413 C   0  0  0  0  0  0  0  0  0
   -1.1438    2.1178    0.3700 N   0  0  0  0  0  0  0  0  0
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    2.4338    4.2115    0.5602 C   0  0  0  0  0  0  0  0  0
    3.6145   -0.3656   -0.6372 N   0  3  0  0  0  0  0  0  0
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   -0.8722   -0.4402    0.0791 H   0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
M  CHG  4  10   1  12  -1  13   1  15  -1
M  END
> <NSC>
606532  

> <STRCTYPE>
K   

$$$$
607316
          1016 111283D                        607316      
                                                                        
110116        1                 1 V2000
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M  END
> <NSC>
607316  

> <STRCTYPE>
K   

$$$$
607347
          1016 111283D                        607347      
                                                                        
 22 22        0                 1 V2000
    3.0247   -4.1123   -2.8734 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
607347  

> <STRCTYPE>
K   

$$$$
610744
          1016 111283D                        610744      
                                                                        
 31 33        0                 2 V2000
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M  CHG  2  19   1  21  -1
M  END
> <NSC>
610744  

> <STRCTYPE>
K   

$$$$
611750
          1016 111283D                        611750      
                                                                        
 33 33        1                 1 V2000
    6.7249   -2.5735   -3.8782 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
611750  

> <STRCTYPE>
K   

$$$$
613009
          1016 111283D                        613009      
                                                                        
 92 95        1                 1 V2000
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M  END
> <NSC>
613009  

> <STRCTYPE>
K   

$$$$
613729
          1016 111283D                        613729      
                                                                        
 43 44        0                 1 V2000
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M  END
> <NSC>
613729  

> <STRCTYPE>
K   

$$$$
614826
          1016 111283D                        614826      
                                                                        
 46 48        0                 1 V2000
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M  END
> <NSC>
614826  

> <STRCTYPE>
K   

$$$$
614928
          1016 111283D                        614928      
                                                                        
 27 27        1                 1 V2000
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M  END
> <NSC>
614928  

> <STRCTYPE>
K   

$$$$
615593
          1016 111283D                        615593      
                                                                        
145149        0                 2 V2000
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M  CHG  6   2   1  10   1  30  -1  61  -1  74   1  78   1
M  END
> <NSC>
615593  

> <STRCTYPE>
K   

$$$$
615985
          1016 111283D                        615985      
                                                                        
 41 42        0                 1 V2000
    0.9719    5.0284    9.5652 O   0  0  0  0  0  0  0  0  0
   -0.0863    5.1411    8.6330 C   0  0  0  0  0  0  0  0  0
   -0.6565    3.7605    8.3447 C   0  0  0  0  0  0  0  0  0
    0.6731    2.7292    7.6704 S   0  0  0  0  0  0  0  0  0
    2.1956    3.4846    8.2350 C   0  0  0  0  0  0  0  0  0
    2.1481    4.5226    9.0911 C   0  0  0  0  0  0  0  0  0
    3.3884    5.1999    9.5973 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
615985  

> <STRCTYPE>
K   

$$$$
616232
          1016 111283D                        616232      
                                                                        
 24 23        1                 1 V2000
   -3.8590    4.4358   -1.8548 Br  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
616232  

> <STRCTYPE>
K   

$$$$
616355
          1016 111283D                        616355      
                                                                        
 51 53        1                 1 V2000
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M  END
> <NSC>
616355  

> <STRCTYPE>
K   

$$$$
617540
          1016 111283D                        617540      
                                                                        
 66 66        0                 1 V2000
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M  END
> <NSC>
617540  

> <STRCTYPE>
K   

$$$$
617570
          1016 111283D                        617570      
                                                                        
 61 67        1                 2 V2000
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M  CHG  8   4   1   5   1   9   1  11   1  13  -4  16   2  19   2  32   1
M  END
> <NSC>
617570  

> <STRCTYPE>
K   

$$$$
617989
          1016 111283D                        617989      
                                                                        
 33 35        1                 1 V2000
   -5.6745    3.3713    4.7683 C   0  0  0  0  0  0  0  0  0
   -6.7895    3.1530    5.5080 N   0  0  0  0  0  0  0  0  0
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   -3.3124    3.1210    4.5587 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
617989  

> <STRCTYPE>
K   

$$$$
618261
          1016 111283D                        618261      
                                                                        
 54 57        1                 2 V2000
   -1.9572   -0.0878    0.7448 C   0  0  0  0  0  0  0  0  0
   -1.3223   -1.2507    0.9364 C   0  0  0  0  0  0  0  0  0
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 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  CHG  2   3   1   5  -1
M  END
> <NSC>
618261  

> <STRCTYPE>
K   

$$$$
618332
          1016 111283D                        618332      
                                                                        
 18 19        0                 1 V2000
   -0.0210    1.3815    0.0086 C   0  0  0  0  0  0  0  0  0
   -0.0022   -0.0083    0.0023 C   0  0  0  0  0  0  0  0  0
    1.2072   -0.6953   -0.0134 C   0  0  0  0  0  0  0  0  0
    2.3992    0.0225   -0.0204 C   0  0  0  0  0  0  0  0  0
    1.1692    2.1012    0.0018 C   0  0  0  0  0  0  0  0  0
    2.3803    1.4161   -0.0124 C   0  0  0  0  0  0  0  0  0
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    3.6894    3.3503   -0.2386 O   0  0  0  0  0  0  0  0  0
    4.9233    1.4209    0.2471 C   0  0  0  0  0  0  0  0  0
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   -0.9578    1.8987    0.0171 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
618332  

> <STRCTYPE>
K   

$$$$
619003
          1016 111283D                        619003      
                                                                        
 77 82        1                 1 V2000
   -3.0153    6.5277    3.5616 C   0  0  0  0  0  0  0  0  0
   -3.8506    5.7315    4.3299 C   0  0  0  0  0  0  0  0  0
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   -2.1164    4.0577    4.4657 C   0  0  0  0  0  0  0  0  0
   -1.2725    4.8577    3.6908 C   0  0  0  0  0  0  0  0  0
   -1.7339    6.0919    3.2462 C   0  0  0  0  0  0  0  0  0
   -0.8579    6.9809    2.4158 C   0  0  0  0  0  0  0  0  0
   -1.3278    8.0345    2.0607 O   0  0  0  0  0  0  0  0  0
    0.5457    6.5735    2.0441 C   0  0  0  0  0  0  0  0  0
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    0.1268    4.4455    3.3084 C   0  0  0  0  0  0  0  0  0
    0.5272    3.3692    3.6753 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
619003  

> <STRCTYPE>
K   

$$$$
619165
          1016 111283D                        619165      
                                                                        
 50 52        1                 1 V2000
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M  END
> <NSC>
619165  

> <STRCTYPE>
K   

$$$$
619179
          1016 111283D                        619179      
                                                                        
133150        1                 2 V2000
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M  CHG  7   1   2   8   2  27   2  34   2  53   2  60   2  79  -3
M  END
> <NSC>
619179  

> <STRCTYPE>
K   

$$$$
619860
          1016 111283D                        619860      
                                                                        
 24 26        0                 1 V2000
   -0.0167    1.3837    0.0096 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
619860  

> <STRCTYPE>
K   

$$$$
619907
          1016 111283D                        619907      
                                                                        
 35 38        0                 2 V2000
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 14 15  2  0  0  0  0
 22 24  1  0  0  0  0
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 24 34  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 35  1  0  0  0  0
M  CHG  5   1   3   2   2   3   2  24   1  26   1
M  END
> <NSC>
619907  

> <STRCTYPE>
K   

$$$$
620050
          1016 111283D                        620050      
                                                                        
 23 23        0                 1 V2000
    2.5891    8.1122   -1.6313 C   0  0  0  0  0  0  0  0  0
    1.9340    8.0301   -2.8582 C   0  0  0  0  0  0  0  0  0
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    2.3327    5.7433   -1.3440 C   0  0  0  0  0  0  0  0  0
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    2.5879    4.2787   -0.3858 S   0  0  0  0  0  0  0  0  0
    1.3373    3.6203   -0.5915 O   0  0  0  0  0  0  0  0  0
    3.6517    3.3313   -1.5058 C   0  0  0  0  0  0  0  0  0
    4.9054    4.1150   -1.7839 C   0  0  0  0  0  0  0  0  0
    5.8468    4.0359   -1.0310 O   0  0  0  0  0  0  0  0  0
    4.9795    4.9175   -2.8870 O   0  0  0  0  0  0  0  0  0
    6.1337    5.7272   -3.0767 C   0  0  0  0  0  0  0  0  0
    2.9330    9.0441   -1.2765 H   0  0  0  0  0  0  0  0  0
    1.7809    8.9022   -3.4331 H   0  0  0  0  0  0  0  0  0
    0.9861    6.7366   -4.2570 H   0  0  0  0  0  0  0  0  0
    1.3403    4.7136   -2.9224 H   0  0  0  0  0  0  0  0  0
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    7.0268    5.1155   -3.1529 H   0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
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  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <NSC>
620050  

> <STRCTYPE>
K   

$$$$
620261
          1016 111283D                        620261      
                                                                        
 35 35        1                 1 V2000
    2.8720   -7.6533    0.5852 C   0  0  0  0  0  0  0  0  0
    3.1052   -8.6162   -0.3877 C   0  0  0  0  0  0  0  0  0
    2.6849   -8.3996   -1.6933 C   0  0  0  0  0  0  0  0  0
    2.0281   -7.2214   -2.0300 C   0  0  0  0  0  0  0  0  0
    1.7996   -6.2573   -1.0547 C   0  0  0  0  0  0  0  0  0
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    4.8334   -4.4518   -2.0885 H   0  0  0  0  0  0  0  0  0
    6.4849   -7.5749   -2.4909 H   0  0  0  0  0  0  0  0  0
    5.0314   -6.8284   -2.1048 H   0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 20  1  0  0  0  0
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M  END
> <NSC>
620261  

> <STRCTYPE>
K   

$$$$
620277
          1016 111283D                        620277      
                                                                        
 41 42        0                 1 V2000
   -4.5151    1.9961    3.6649 C   0  0  0  0  0  0  0  0  0
   -3.7369    0.8613    3.9197 C   0  0  0  0  0  0  0  0  0
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   -2.9229    0.9250    1.6646 C   0  0  0  0  0  0  0  0  0
   -3.6957    2.0541    1.4069 C   0  0  0  0  0  0  0  0  0
   -4.4874    2.5889    2.3971 C   0  0  0  0  0  0  0  0  0
   -2.1229    0.3875    0.6601 N   0  0  0  0  0  0  0  0  0
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   -0.4960    2.2136    0.6619 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
620277  

> <STRCTYPE>
K   

$$$$
620279
          1016 111283D                        620279      
                                                                        
 50 51        0                 1 V2000
   -3.6874    5.8397    3.7935 C   0  0  0  0  0  0  0  0  0
   -2.5695    5.9588    2.9785 C   0  0  0  0  0  0  0  0  0
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   -0.0321    2.0430    3.5137 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
620279  

> <STRCTYPE>
K   

$$$$
620280
          1016 111283D                        620280      
                                                                        
 55 57        0                 1 V2000
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M  END
> <NSC>
620280  

> <STRCTYPE>
K   

$$$$
620358
          1016 111283D                        620358      
                                                                        
 55 58        1                 1 V2000
    3.2028    0.2373   -3.3569 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
620358  

> <STRCTYPE>
K   

$$$$
621094
          1016 111283D                        621094      
                                                                        
 36 38        1                 1 V2000
   -0.4616    3.0279   -5.1083 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
621094  

> <STRCTYPE>
K   

$$$$
621486
          1016 111283D                        621486      
                                                                        
 45 47        0                 2 V2000
    7.3539   -5.1330    9.2220 C   0  0  0  0  0  0  0  0  0
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M  CHG  4   7   2  11   2  26   1  28  -1
M  END
> <NSC>
621486  

> <STRCTYPE>
K   

$$$$
621889
          1016 111283D                        621889      
                                                                        
 29 29        1                 2 V2000
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M  CHG  1   8   1
M  END
> <NSC>
621889  

> <STRCTYPE>
K   

$$$$
622190
          1016 111283D                        622190      
                                                                        
 28 30        0                 1 V2000
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M  END
> <NSC>
622190  

> <STRCTYPE>
K   

$$$$
622586
          1016 111283D                        622586      
                                                                        
 44 45        0                 1 V2000
   -1.6252    2.6804    2.5187 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
622586  

> <STRCTYPE>
K   

$$$$
622589
          1016 111283D                        622589      
                                                                        
 43 45        0                 1 V2000
   -4.8256    7.7734    2.9367 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
622589  

> <STRCTYPE>
K   

$$$$
622608
          1016 111283D                        622608      
                                                                        
 26 27        0                 1 V2000
    1.1393    6.9776    0.8851 N   0  0  0  0  0  0  0  0  0
    2.5779    6.9710    0.8481 C   0  0  0  0  0  0  0  0  0
    0.4315    7.6581    1.9426 C   0  0  0  0  0  0  0  0  0
    0.4292    6.3363   -0.0861 C   0  0  0  0  0  0  0  0  0
   -0.8210    6.3268   -0.0418 N   0  0  0  0  0  0  0  0  0
   -1.5196    5.7000   -1.0207 C   0  0  0  0  0  0  0  0  0
   -0.5616    4.9138   -2.2938 S   0  0  0  0  0  0  0  0  0
    1.1929    5.4841   -1.4570 S   0  0  0  0  0  0  0  0  0
   -2.7721    5.6845   -1.0159 N   0  0  0  0  0  0  0  0  0
   -3.5415    6.3216    0.0218 C   0  0  0  0  0  0  0  0  0
   -3.3004    7.8031    0.0724 C   0  0  0  0  0  0  0  0  0
   -3.1511    8.5977   -1.0487 C   0  0  0  0  0  0  0  0  0
   -2.9320    9.8763   -0.5894 C   0  0  0  0  0  0  0  0  0
   -2.9628    9.8015    0.7901 C   0  0  0  0  0  0  0  0  0
   -3.2026    8.5221    1.2458 O   0  0  0  0  0  0  0  0  0
    2.9983    7.5158    1.6812 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
622608  

> <STRCTYPE>
K   

$$$$
622616
          1016 111283D                        622616      
                                                                        
 37 38        0                 1 V2000
    8.7299    3.0550   -5.4589 C   0  0  0  0  0  0  0  0  0
   10.1113    2.9570   -5.5554 C   0  0  0  0  0  0  0  0  0
   10.7446    2.7078   -6.7313 O   0  0  0  0  0  0  0  0  0
   10.8819    3.1178   -4.4144 C   0  0  0  0  0  0  0  0  0
   10.2851    3.3716   -3.1842 C   0  0  0  0  0  0  0  0  0
   11.0582    3.5248   -2.0758 O   0  0  0  0  0  0  0  0  0
    8.8975    3.4676   -3.0870 C   0  0  0  0  0  0  0  0  0
    8.1242    3.3074   -4.2358 C   0  0  0  0  0  0  0  0  0
    6.7648    3.3837   -4.2501 O   0  0  0  0  0  0  0  0  0
    6.1254    3.5235   -3.0575 C   0  0  0  0  0  0  0  0  0
    4.9180    3.4993   -3.0520 O   0  0  0  0  0  0  0  0  0
    6.8518    3.7064   -1.7543 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
622616  

> <STRCTYPE>
K   

$$$$
622627
          1016 111283D                        622627      
                                                                        
 22 22        0                 2 V2000
    0.2158    1.6925    0.0862 C   0  0  0  0  0  0  0  0  0
   -0.0955    0.3444    0.2188 C   0  0  0  0  0  0  0  0  0
    0.8869   -0.6334    0.1548 C   0  0  0  0  0  0  0  0  0
    2.2029   -0.2333   -0.0329 C   0  0  0  0  0  0  0  0  0
    2.5340    1.1106   -0.1688 C   0  0  0  0  0  0  0  0  0
    1.5372    2.0905   -0.1354 C   0  0  0  0  0  0  0  0  0
    1.8789    3.5480   -0.3339 C   0  0  0  0  0  0  0  0  0
   -0.8403    2.5491    0.1867 N   0  3  0  0  0  0  0  0  0
   -2.0111    2.1149    0.2811 O   0  0  0  0  0  0  0  0  0
   -0.6698    3.9877    0.1928 O   0  5  0  0  0  0  0  0  0
    3.8619    1.3744   -0.3313 N   0  3  0  0  0  0  0  0  0
    4.6902    0.4435   -0.4546 O   0  0  0  0  0  0  0  0  0
    4.3817    2.7264   -0.3676 O   0  5  0  0  0  0  0  0  0
    0.4978   -2.0858    0.2909 C   0  0  0  0  0  0  0  0  0
    1.5747   -2.9447    0.2029 F   0  0  0  0  0  0  0  0  0
   -0.1136   -2.2636    1.5144 F   0  0  0  0  0  0  0  0  0
   -0.3926   -2.3939   -0.7170 F   0  0  0  0  0  0  0  0  0
    2.2395    4.2627    1.2799 Cl  0  0  0  0  0  0  0  0  0
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M  CHG  4   8   1  10  -1  11   1  13  -1
M  END
> <NSC>
622627  

> <STRCTYPE>
K   

$$$$
622640
          1016 111283D                        622640      
                                                                        
 23 23        0                 2 V2000
    2.3762    1.3931    0.0996 C   0  0  0  0  0  0  0  0  0
    2.3743    0.0043    0.0601 C   0  0  0  0  0  0  0  0  0
    1.1840   -0.7107    0.0434 C   0  0  0  0  0  0  0  0  0
   -0.0140   -0.0077    0.0799 C   0  0  0  0  0  0  0  0  0
   -0.0247    1.3820    0.1195 C   0  0  0  0  0  0  0  0  0
    1.1726    2.0924    0.0851 C   0  0  0  0  0  0  0  0  0
    1.1699    3.5894    0.0238 C   0  0  0  0  0  0  0  0  0
    3.5873    2.0065    0.1541 N   0  3  0  0  0  0  0  0  0
    4.6516    1.3618    0.0149 O   0  0  0  0  0  0  0  0  0
    3.6694    3.4333    0.3829 O   0  5  0  0  0  0  0  0  0
   -1.2378    1.9895    0.1948 N   0  3  0  0  0  0  0  0  0
   -2.3022    1.3417    0.0722 O   0  0  0  0  0  0  0  0  0
   -1.3206    3.4158    0.4270 O   0  5  0  0  0  0  0  0  0
    1.2302   -2.2178   -0.0115 C   0  0  0  0  0  0  0  0  0
   -0.0217   -2.7977   -0.0199 F   0  0  0  0  0  0  0  0  0
    1.8994   -2.5953   -1.1568 F   0  0  0  0  0  0  0  0  0
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    1.1609    4.0978   -1.0709 O   0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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M  CHG  4   8   1  10  -1  11   1  13  -1
M  END
> <NSC>
622640  

> <STRCTYPE>
K   

$$$$
622684
          1016 111283D                        622684      
                                                                        
 30 30        0                 1 V2000
    0.8765    2.2527   -1.1807 C   0  0  0  0  0  0  0  0  0
    1.0304    0.9460   -1.6260 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
622684  

> <STRCTYPE>
K   

$$$$
622690
          1016 111283D                        622690      
                                                                        
 28 29        0                 2 V2000
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M  CHG  2   9   1  12  -1
M  END
> <NSC>
622690  

> <STRCTYPE>
K   

$$$$
622732
          1016 111283D                        622732      
                                                                        
 35 38        0                 1 V2000
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M  END
> <NSC>
622732  

> <STRCTYPE>
K   

$$$$
623051
          1016 111283D                        623051      
                                                                        
 38 41        0                 1 V2000
   -0.3060    4.3367   -1.5911 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
623051  

> <STRCTYPE>
K   

$$$$
623059
          1016 111283D                        623059      
                                                                        
 39 41        0                 1 V2000
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M  END
> <NSC>
623059  

> <STRCTYPE>
K   

$$$$
623093
          1016 111283D                        623093      
                                                                        
 56 59        0                 1 V2000
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M  END
> <NSC>
623093  

> <STRCTYPE>
K   

$$$$
623095
          1016 111283D                        623095      
                                                                        
 50 53        0                 1 V2000
    7.1874   -3.9729  -12.7496 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
623095  

> <STRCTYPE>
K   

$$$$
623135
          1016 111283D                        623135      
                                                                        
 42 45        0                 1 V2000
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M  END
> <NSC>
623135  

> <STRCTYPE>
K   

$$$$
623527
          1016 111283D                        623527      
                                                                        
119120        1                 2 V2000
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M  CHG  2  29   1  48  -1
M  END
> <NSC>
623527  

> <STRCTYPE>
K   

$$$$
623637
          1016 111283D                        623637      
                                                                        
 40 42        0                 1 V2000
   11.3036    8.3462   -3.5757 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
623637  

> <STRCTYPE>
K   

$$$$
623746
          1016 111283D                        623746      
                                                                        
 50 52        0                 1 V2000
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M  END
> <NSC>
623746  

> <STRCTYPE>
K   

$$$$
624158
          1016 111283D                        624158      
                                                                        
 46 47        0                 1 V2000
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M  END
> <NSC>
624158  

> <STRCTYPE>
K   

$$$$
624161
          1016 111283D                        624161      
                                                                        
 22 21        0                 1 V2000
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   -2.6361    1.2233   -4.0302 O   0  0  0  0  0  0  0  0  0
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   -2.8324    1.5814   -6.4475 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
624161  

> <STRCTYPE>
K   

$$$$
624169
          1016 111283D                        624169      
                                                                        
 38 38        0                 1 V2000
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M  END
> <NSC>
624169  

> <STRCTYPE>
K   

$$$$
624206
          1016 111283D                        624206      
                                                                        
 55 55        0                 1 V2000
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M  END
> <NSC>
624206  

> <STRCTYPE>
K   

$$$$
624358
          1016 111283D                        624358      
                                                                        
 28 30        1                 1 V2000
   -0.1991    1.1243   -0.2582 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
624358  

> <STRCTYPE>
K   

$$$$
624947
          1016 111283D                        624947      
                                                                        
 43 45        0                 1 V2000
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 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
> <NSC>
624947  

> <STRCTYPE>
K   

$$$$
624953
          1016 111283D                        624953      
                                                                        
 91 94        1                 1 V2000
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M  END
> <NSC>
624953  

> <STRCTYPE>
K   

$$$$
625350
          1016 111283D                        625350      
                                                                        
 61 65        1                 1 V2000
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M  END
> <NSC>
625350  

> <STRCTYPE>
K   

$$$$
625355
          1016 111283D                        625355      
                                                                        
 27 28        1                 1 V2000
    2.6219   -0.2492    1.9105 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
625355  

> <STRCTYPE>
K   

$$$$
625483
          1016 111283D                        625483      
                                                                        
 30 33        1                 1 V2000
    0.1313    1.7389    0.4298 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
625483  

> <STRCTYPE>
K   

$$$$
625487
          1016 111283D                        625487      
                                                                        
 30 33        1                 1 V2000
    9.0593   -4.8197   -0.3707 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
625487  

> <STRCTYPE>
K   

$$$$
625590
          1016 111283D                        625590      
                                                                        
 45 48        0                 1 V2000
   -6.4259    4.2450    4.5995 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
625590  

> <STRCTYPE>
K   

$$$$
625639
          1016 111283D                        625639      
                                                                        
 23 23        0                 1 V2000
    1.3468   -2.1123   -1.4416 C   0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  8 21  1  0  0  0  0
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 11 12  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <NSC>
625639  

> <STRCTYPE>
K   

$$$$
625641
          1016 111283D                        625641      
                                                                        
 32 33        0                 2 V2000
    0.1132    1.2912    0.2597 C   0  0  0  0  0  0  0  0  0
   -0.2405    0.0215    0.7148 C   0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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M  CHG  2  15   1  17  -1
M  END
> <NSC>
625641  

> <STRCTYPE>
K   

$$$$
625748
          1016 111283D                        625748      
                                                                        
 26 28        0                 1 V2000
    0.0011    1.2936    0.4916 C   0  0  0  0  0  0  0  0  0
    1.1267    2.0002    0.2493 N   0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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M  END
> <NSC>
625748  

> <STRCTYPE>
K   

$$$$
625873
          1016 111283D                        625873      
                                                                        
 78 81        1                 1 V2000
    4.7302   21.0958   -4.2520 C   0  0  0  0  0  0  0  0  0
    5.4448   21.0395   -5.3384 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
625873  

> <STRCTYPE>
K   

$$$$
626120
          1016 111283D                        626120      
                                                                        
 49 51        1                 1 V2000
   -1.1676   -3.7415   -8.0063 C   0  0  1  0  0  0  0  0  0
   -1.2570   -2.4787   -7.1496 C   0  0  1  0  0  0  0  0  0
   -2.1872   -2.7309   -6.1110 O   0  0  0  0  0  0  0  0  0
   -2.6961   -4.0322   -6.3254 C   0  0  1  0  0  0  0  0  0
   -1.5596   -4.8006   -6.9867 C   0  0  1  0  0  0  0  0  0
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M  END
> <NSC>
626120  

> <STRCTYPE>
K   

$$$$
626433
          1016 111283D                        626433      
                                                                        
 12 12        0                 2 V2000
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M  END
> <NSC>
626433  

> <STRCTYPE>
K   

$$$$
626521
          1016 111283D                        626521      
                                                                        
 27 29        0                 1 V2000
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M  END
> <NSC>
626521  

> <STRCTYPE>
K   

$$$$
626551
          1016 111283D                        626551      
                                                                        
 69 69        0                 1 V2000
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M  END
> <NSC>
626551  

> <STRCTYPE>
K   

$$$$
626734
          1016 111283D                        626734      
                                                                        
 51 53        1                 1 V2000
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M  END
> <NSC>
626734  

> <STRCTYPE>
K   

$$$$
627168
          1016 111283D                        627168      
                                                                        
 48 51        0                 2 V2000
   -4.8153    6.1995   -2.2919 C   0  0  0  0  0  0  0  0  0
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M  CHG  2  19   1  21  -1
M  END
> <NSC>
627168  

> <STRCTYPE>
K   

$$$$
627371
          1016 111283D                        627371      
                                                                        
 18 19        0                 2 V2000
   -0.0408    1.3291    0.0053 C   0  0  0  0  0  0  0  0  0
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M  CHG  4   8   1   9  -1  10   1  12  -1
M  END
> <NSC>
627371  

> <STRCTYPE>
K   

$$$$
627666
          1016 111283D                        627666      
                                                                        
 56 61        1                 1 V2000
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M  END
> <NSC>
627666  

> <STRCTYPE>
K   

$$$$
627708
          1016 111283D                        627708      
                                                                        
 30 31        0                 2 V2000
    1.7446    1.1209   -0.6606 C   0  0  0  0  0  0  0  0  0
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 19 30  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
> <NSC>
627708  

> <STRCTYPE>
K   

$$$$
627991
          1016 111283D                        627991      
                                                                        
 35 38        0                 1 V2000
   -0.2834    0.2983    1.7031 O   0  0  0  0  0  0  0  0  0
   -0.2025    1.4397    1.3196 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
627991  

> <STRCTYPE>
K   

$$$$
628507
          1016 111283D                        628507      
                                                                        
 42 46        1                 1 V2000
   -0.0748    1.1698   -0.0638 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
628507  

> <STRCTYPE>
K   

$$$$
628672
          1016 111283D                        628672      
                                                                        
 62 67        1                 2 V2000
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 29 53  1  0  0  0  0
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M  CHG  2   7   1   9  -1
M  END
> <NSC>
628672  

> <STRCTYPE>
K   

$$$$
628918
          1016 111283D                        628918      
                                                                        
 41 42        0                 2 V2000
    9.7414    7.6882    2.3059 C   0  0  0  0  0  0  0  0  0
   10.2455    7.6165    1.0127 C   0  0  0  0  0  0  0  0  0
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    9.6136    6.5202    3.0573 C   0  0  0  0  0  0  0  0  0
   10.9268    3.9930    0.7474 N   0  2  0  0  0  0  0  0  0
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    9.8590    1.7221    3.4153 N   0  0  0  0  0  0  0  0  0
   10.0000    0.4214    2.8061 C   0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  CHG  4   7   2  11   2  20   1  22  -1
M  END
> <NSC>
628918  

> <STRCTYPE>
K   

$$$$
629301
          1016 111283D                        629301      
                                                                        
 31 34        1                 1 V2000
   -0.0168    1.3882    0.0097 C   0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0
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    3.6656    3.2237   -1.2010 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
629301  

> <STRCTYPE>
K   

$$$$
629713
          1016 111283D                        629713      
                                                                        
 42 46        0                 1 V2000
   -0.4350    1.9402    0.5398 C   0  0  0  0  0  0  0  0  0
   -0.5993    0.5726    0.6789 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
629713  

> <STRCTYPE>
K   

$$$$
629738
          1016 111283D                        629738      
                                                                        
 66 69        0                 1 V2000
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M  END
> <NSC>
629738  

> <STRCTYPE>
K   

$$$$
629971
          1016 111283D                        629971      
                                                                        
 44 48        1                 1 V2000
   16.3342    2.2724   -3.5357 C   0  0  0  0  0  0  0  0  0
   17.4172    2.8587   -2.8967 C   0  0  0  0  0  0  0  0  0
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   15.9353    4.0886   -1.4462 C   0  0  0  0  0  0  0  0  0
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   15.0469    2.5917   -3.1315 C   0  0  0  0  0  0  0  0  0
   18.3549    4.2885   -1.2878 N   0  0  0  0  0  0  0  0  0
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   13.3384    4.6422   -0.7407 C   0  0  0  0  0  0  0  0  0
   13.5667    3.7688   -1.7414 N   0  0  0  0  0  0  0  0  0
   13.8322    6.1852    1.0101 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
629971  

> <STRCTYPE>
K   

$$$$
630032
          1016 111283D                        630032      
                                                                        
 46 47        0                 1 V2000
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 10 35  1  0  0  0  0
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 13 36  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
> <NSC>
630032  

> <STRCTYPE>
K   

$$$$
630374
          1016 111283D                        630374      
                                                                        
 35 37        0                 1 V2000
   16.4029    0.9347   -0.9389 C   0  0  0  0  0  0  0  0  0
   16.7115    1.1033    0.4064 C   0  0  0  0  0  0  0  0  0
   15.8722    0.5894    1.3879 C   0  0  0  0  0  0  0  0  0
   14.7212   -0.0927    1.0192 C   0  0  0  0  0  0  0  0  0
   14.4198   -0.2556   -0.3237 C   0  0  0  0  0  0  0  0  0
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   13.1549   -1.0013   -0.5781 C   0  0  0  0  0  0  0  0  0
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   13.8672   -0.6119    1.9467 N   0  0  0  0  0  0  0  0  0
   12.7458   -1.2128   -1.6960 O   0  0  0  0  0  0  0  0  0
   11.3035   -2.1811    0.3897 O   0  0  0  0  0  0  0  0  0
   10.2587   -1.3981    0.7509 C   0  0  0  0  0  0  0  0  0
    9.9517   -1.2709    1.9121 O   0  0  0  0  0  0  0  0  0
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    9.4244    0.8154   -0.0597 C   0  0  0  0  0  0  0  0  0
   12.6871    2.3220    1.1286 C   0  0  0  0  0  0  0  0  0
   11.4321    1.7281    1.1315 C   0  0  0  0  0  0  0  0  0
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   17.0420    1.3249   -1.6754 H   0  0  0  0  0  0  0  0  0
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   16.1041    0.7140    2.4048 H   0  0  0  0  0  0  0  0  0
   15.0139    0.1202   -2.3280 H   0  0  0  0  0  0  0  0  0
    9.9675   -0.8786   -1.2691 H   0  0  0  0  0  0  0  0  0
    8.4889   -1.0947   -0.3402 H   0  0  0  0  0  0  0  0  0
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   13.1619    2.5461    2.0384 H   0  0  0  0  0  0  0  0  0
   10.9655    1.5002    2.0454 H   0  0  0  0  0  0  0  0  0
   10.9609    1.4916   -2.1843 H   0  0  0  0  0  0  0  0  0
   13.1612    2.5286   -2.1876 H   0  0  0  0  0  0  0  0  0
   14.2600    3.0719   -0.0772 H   0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 24  1  0  0  0  0
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  4 10  1  0  0  0  0
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  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
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 12 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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M  END
> <NSC>
630374  

> <STRCTYPE>
K   

$$$$
631152
          1016 111283D                        631152      
                                                                        
 30 32        0                 2 V2000
    3.2183    2.9999   -1.6053 N   0  0  0  0  0  0  0  0  0
    3.9663    3.1920   -2.7132 N   0  0  0  0  0  0  0  0  0
    4.8855    4.1491   -2.4601 N   0  0  0  0  0  0  0  0  0
    4.6769    4.5827   -1.2007 N   0  0  0  0  0  0  0  0  0
    3.6936    3.8323   -0.6652 C   0  0  0  0  0  0  0  0  0
    3.1096    3.9074    1.0165 S   0  0  0  0  0  0  0  0  0
    4.6143    4.1203    1.9556 C   0  0  0  0  0  0  0  0  0
    5.7669    3.4413    1.7757 N   0  0  0  0  0  0  0  0  0
    6.6529    3.9042    2.6800 C   0  0  0  0  0  0  0  0  0
    6.0883    4.8612    3.4443 N   0  0  0  0  0  0  0  0  0
    4.8232    5.0044    2.9983 C   0  0  0  0  0  0  0  0  0
    3.8990    5.8700    3.4788 N   0  3  0  0  0  0  0  0  0
    4.1658    6.5943    4.4623 O   0  0  0  0  0  0  0  0  0
    2.5881    5.9523    2.8388 O   0  5  0  0  0  0  0  0  0
    6.0235    2.4100    0.8063 C   0  0  0  0  0  0  0  0  0
    5.3626    5.6064   -0.6162 C   0  0  0  0  0  0  0  0  0
    6.7113    5.7710   -0.9076 C   0  0  0  0  0  0  0  0  0
    7.4426    6.7850   -0.3020 C   0  0  0  0  0  0  0  0  0
    6.8250    7.6528    0.5893 C   0  0  0  0  0  0  0  0  0
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    4.7456    6.4920    0.2635 C   0  0  0  0  0  0  0  0  0
    7.6454    3.5677    2.7792 H   0  0  0  0  0  0  0  0  0
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    7.1805    5.1222   -1.5878 H   0  0  0  0  0  0  0  0  0
    8.4642    6.8953   -0.5187 H   0  0  0  0  0  0  0  0  0
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    3.7204    6.4025    0.4792 H   0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
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 20 21  2  0  0  0  0
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 21 30  1  0  0  0  0
M  CHG  2  12   1  14  -1
M  END
> <NSC>
631152  

> <STRCTYPE>
K   

$$$$
631160
          1016 111283D                        631160      
                                                                        
 33 35        0                 2 V2000
    0.4490    1.5090   -0.6670 N   0  0  0  0  0  0  0  0  0
    1.7045    1.0204   -0.5674 N   0  0  0  0  0  0  0  0  0
    2.0126    0.9205    0.7403 C   0  0  0  0  0  0  0  0  0
    0.9278    1.2857    1.4585 N   0  0  0  0  0  0  0  0  0
   -0.0187    1.6715    0.5828 C   0  0  0  0  0  0  0  0  0
   -1.6384    2.2970    0.9967 S   0  0  0  0  0  0  0  0  0
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   -1.7063    3.8255   -1.3697 N   0  0  0  0  0  0  0  0  0
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   -3.7000    3.3584   -2.2080 N   0  0  0  0  0  0  0  0  0
   -3.5624    2.7003   -1.0384 C   0  0  0  0  0  0  0  0  0
   -4.4996    1.9063   -0.4677 N   0  3  0  0  0  0  0  0  0
   -5.5804    1.6981   -1.0599 O   0  0  0  0  0  0  0  0  0
   -4.2494    1.2964    0.8362 O   0  5  0  0  0  0  0  0  0
   -0.4035    4.4203   -1.2398 C   0  0  0  0  0  0  0  0  0
    3.3633    0.4687    1.2357 C   0  0  0  0  0  0  0  0  0
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    0.7661    1.2741    2.8870 C   0  0  0  0  0  0  0  0  0
   -2.3560    4.6597   -3.2253 H   0  0  0  0  0  0  0  0  0
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    3.8122   -0.6297   -0.5210 H   0  0  0  0  0  0  0  0  0
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    3.3052    1.4740    3.1092 H   0  0  0  0  0  0  0  0  0
    1.0896    2.2185    3.3011 H   0  0  0  0  0  0  0  0  0
   -0.2709    1.1173    3.1475 H   0  0  0  0  0  0  0  0  0
    1.3405    0.4707    3.3251 H   0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
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  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4 22  1  0  0  0  0
  4  5  1  0  0  0  0
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  7 11  2  0  0  0  0
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 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  CHG  2  12   1  14  -1
M  END
> <NSC>
631160  

> <STRCTYPE>
K   

$$$$
631521
          1016 111283D                        631521      
                                                                        
 32 35        0                 1 V2000
    0.0120    1.2179   -1.5920 C   0  0  0  0  0  0  0  0  0
    0.0980   -0.1625   -1.6764 C   0  0  0  0  0  0  0  0  0
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   -0.8892    1.7089   -1.8744 H   0  0  0  0  0  0  0  0  0
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 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END
> <NSC>
631521  

> <STRCTYPE>
K   

$$$$
631529
          1016 111283D                        631529      
                                                                        
 32 35        0                 1 V2000
   10.2966   -4.4363    5.5828 C   0  0  0  0  0  0  0  0  0
   10.6507   -3.4878    6.5284 C   0  0  0  0  0  0  0  0  0
   10.5775   -2.1360    6.2217 C   0  0  0  0  0  0  0  0  0
   10.1474   -1.7354    4.9616 C   0  0  0  0  0  0  0  0  0
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    9.3291   -2.3037    2.6409 C   0  0  0  0  0  0  0  0  0
    9.0052   -3.1436    1.8296 O   0  0  0  0  0  0  0  0  0
    9.2813   -0.8458    2.3142 C   0  0  0  0  0  0  0  0  0
    9.6416    0.0774    3.2955 C   0  0  0  0  0  0  0  0  0
   10.0729   -0.2776    4.6476 C   0  0  0  0  0  0  0  0  0
   10.3541    0.5691    5.4674 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
631529  

> <STRCTYPE>
K   

$$$$
631583
          1016 111283D                        631583      
                                                                        
 36 39        1                 1 V2000
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M  END
> <NSC>
631583  

> <STRCTYPE>
K   

$$$$
632233
          1016 111283D                        632233      
                                                                        
 35 37        0                 1 V2000
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M  END
> <NSC>
632233  

> <STRCTYPE>
K   

$$$$
632536
          1016 111283D                        632536      
                                                                        
 53 55        0                 1 V2000
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M  END
> <NSC>
632536  

> <STRCTYPE>
K   

$$$$
632839
          1016 111283D                        632839      
                                                                        
 44 46        0                 1 V2000
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M  END
> <NSC>
632839  

> <STRCTYPE>
K   

$$$$
632841
          1016 111283D                        632841      
                                                                        
 44 46        0                 1 V2000
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M  END
> <NSC>
632841  

> <STRCTYPE>
K   

$$$$
633001
          1016 111283D                        633001      
                                                                        
 29 30        0                 2 V2000
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M  END
> <NSC>
633001  

> <STRCTYPE>
K   

$$$$
633209
          1016 111283D                        633209      
                                                                        
 30 32        0                 1 V2000
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M  END
> <NSC>
633209  

> <STRCTYPE>
K   

$$$$
634224
          1016 111283D                        634224      
                                                                        
 31 34        0                 2 V2000
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M  CHG  3   5   1   6   1  10   1
M  END
> <NSC>
634224  

> <STRCTYPE>
K   

$$$$
634396
          1016 111283D                        634396      
                                                                        
 38 40        1                 1 V2000
    0.2965    3.6600   -3.1687 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
634396  

> <STRCTYPE>
K   

$$$$
634471
          1016 111283D                        634471      
                                                                        
 26 26        0                 1 V2000
    8.1992    1.1653   -3.1907 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
634471  

> <STRCTYPE>
K   

$$$$
634473
          1016 111283D                        634473      
                                                                        
 47 49        1                 1 V2000
    2.0029    6.0322    2.6649 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
634473  

> <STRCTYPE>
K   

$$$$
634503
          1016 111283D                        634503      
                                                                        
 48 50        1                 1 V2000
    8.2339    7.7235  -12.4388 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
634503  

> <STRCTYPE>
K   

$$$$
634568
          1016 111283D                        634568      
                                                                        
 36 40        0                 1 V2000
   -0.0163    1.3538    0.0095 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
634568  

> <STRCTYPE>
K   

$$$$
634650
          1016 111283D                        634650      
                                                                        
 31 33        1                 1 V2000
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M  END
> <NSC>
634650  

> <STRCTYPE>
K   

$$$$
634658
          1016 111283D                        634658      
                                                                        
 40 41        0                 2 V2000
    4.2503    2.9815   -2.1448 C   0  0  0  0  0  0  0  0  0
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M  CHG  2   8   1   9  -1
M  END
> <NSC>
634658  

> <STRCTYPE>
K   

$$$$
634863
          1016 111283D                        634863      
                                                                        
 30 31        0                 1 V2000
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M  END
> <NSC>
634863  

> <STRCTYPE>
K   

$$$$
634926
          1016 111283D                        634926      
                                                                        
 53 58        1                 1 V2000
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M  END
> <NSC>
634926  

> <STRCTYPE>
K   

$$$$
634928
          1016 111283D                        634928      
                                                                        
 64 67        0                 1 V2000
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M  END
> <NSC>
634928  

> <STRCTYPE>
K   

$$$$
635121
          1016 111283D                        635121      
                                                                        
 38 40        0                 1 V2000
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M  END
> <NSC>
635121  

> <STRCTYPE>
K   

$$$$
635140
          1016 111283D                        635140      
                                                                        
 28 29        0                 1 V2000
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M  END
> <NSC>
635140  

> <STRCTYPE>
K   

$$$$
635306
          1016 111283D                        635306      
                                                                        
 31 34        1                 1 V2000
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M  END
> <NSC>
635306  

> <STRCTYPE>
K   

$$$$
635312
          1016 111283D                        635312      
                                                                        
 43 46        1                 1 V2000
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M  END
> <NSC>
635312  

> <STRCTYPE>
K   

$$$$
635321
          1016 111283D                        635321      
                                                                        
 46 49        1                 1 V2000
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M  END
> <NSC>
635321  

> <STRCTYPE>
K   

$$$$
635326
          1016 111283D                        635326      
                                                                        
 35 37        1                 2 V2000
    3.2131    3.1321   -0.1263 C   0  0  0  0  0  0  0  0  0
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M  CHG  2  23   1  25  -1
M  END
> <NSC>
635326  

> <STRCTYPE>
K   

$$$$
635328
          1016 111283D                        635328      
                                                                        
 39 42        1                 1 V2000
    2.9628    5.5485    4.3336 C   0  0  0  0  0  0  0  0  0
    3.1992    6.6387    5.1645 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
635328  

> <STRCTYPE>
K   

$$$$
635366
          1016 111283D                        635366      
                                                                        
 51 54        1                 1 V2000
   -2.3945   11.5176   -7.9887 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
635366  

> <STRCTYPE>
K   

$$$$
635435
          1016 111283D                        635435      
                                                                        
 46 49        1                 1 V2000
    2.3864    1.8159    5.9343 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
635435  

> <STRCTYPE>
K   

$$$$
635436
          1016 111283D                        635436      
                                                                        
 33 35        1                 1 V2000
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M  END
> <NSC>
635436  

> <STRCTYPE>
K   

$$$$
635437
          1016 111283D                        635437      
                                                                        
 33 35        1                 1 V2000
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M  END
> <NSC>
635437  

> <STRCTYPE>
K   

$$$$
635438
          1016 111283D                        635438      
                                                                        
 35 37        1                 2 V2000
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M  CHG  2  23   1  25  -1
M  END
> <NSC>
635438  

> <STRCTYPE>
K   

$$$$
635441
          1016 111283D                        635441      
                                                                        
 28 28        0                 1 V2000
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M  END
> <NSC>
635441  

> <STRCTYPE>
K   

$$$$
635448
          1016 111283D                        635448      
                                                                        
 34 36        1                 2 V2000
   -0.1018    1.3390   -0.0137 C   0  0  0  0  0  0  0  0  0
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M  CHG  6   4   1   8   1   9  -2  11  -1  16   1  17   2
M  END
> <NSC>
635448  

> <STRCTYPE>
K   

$$$$
635542
          1016 111283D                        635542      
                                                                        
 41 42        0                 2 V2000
    7.1235    0.4609   -0.6465 C   0  0  0  0  0  0  0  0  0
    8.5079    0.5139   -0.5678 C   0  0  0  0  0  0  0  0  0
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    8.3946    2.6732    0.4995 C   0  0  0  0  0  0  0  0  0
    7.0024    2.6271    0.4419 C   0  0  0  0  0  0  0  0  0
    6.3678    1.5197   -0.1474 C   0  0  0  0  0  0  0  0  0
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    4.2353    2.5302    0.2909 C   0  0  0  0  0  0  0  0  0
    4.8447    3.6271    0.9260 C   0  0  0  0  0  0  0  0  0
    6.2262    3.6465    0.9565 N   0  2  0  0  0  0  0  0  0
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M  CHG  2   7   2  11   2
M  END
> <NSC>
635542  

> <STRCTYPE>
K   

$$$$
635544
          1016 111283D                        635544      
                                                                        
 44 46        0                 2 V2000
    1.0655   11.3066    4.4171 C   0  0  0  0  0  0  0  0  0
    0.8929   11.7555    5.7183 C   0  0  0  0  0  0  0  0  0
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    3.7131    9.8666    2.2855 C   0  0  0  0  0  0  0  0  0
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    4.5832   10.2391    4.4830 N   0  2  0  0  0  0  0  0  0
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    6.1668    9.2513    2.8105 C   0  0  0  0  0  0  0  0  0
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M  CHG  2   7   2  11   2
M  END
> <NSC>
635544  

> <STRCTYPE>
K   

$$$$
635563
          1016 111283D                        635563      
                                                                        
 22 23        0                 2 V2000
    2.4204    1.3168    0.7342 C   0  0  0  0  0  0  0  0  0
    2.4023   -0.0516    0.5022 C   0  0  0  0  0  0  0  0  0
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    1.3397   -2.0783    0.1571 O   0  0  0  0  0  0  0  0  0
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   -1.2324   -0.6052    0.4057 N   0  3  0  0  0  0  0  0  0
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   -2.3972    0.2569    0.5775 O   0  5  0  0  0  0  0  0  0
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 13 15  2  0  0  0  0
 14 22  1  0  0  0  0
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M  CHG  2   6   1   8  -1
M  END
> <NSC>
635563  

> <STRCTYPE>
K   

$$$$
635824
          1016 111283D                        635824      
                                                                        
 55 57        1                 1 V2000
   -0.7780    4.5463   -1.9833 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
635824  

> <STRCTYPE>
K   

$$$$
635833
          1016 111283D                        635833      
                                                                        
 49 51        1                 1 V2000
    6.2112    9.7062   -6.7685 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
635833  

> <STRCTYPE>
K   

$$$$
635968
          1016 111283D                        635968      
                                                                        
 21 21        1                 1 V2000
    0.1357    1.4599   -0.0996 C   0  0  1  0  0  0  0  0  0
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M  END
> <NSC>
635968  

> <STRCTYPE>
K   

$$$$
635975
          1016 111283D                        635975      
                                                                        
 33 34        1                 1 V2000
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M  END
> <NSC>
635975  

> <STRCTYPE>
K   

$$$$
636084
          1016 111283D                        636084      
                                                                        
 42 43        1                 1 V2000
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M  END
> <NSC>
636084  

> <STRCTYPE>
K   

$$$$
636132
          1016 111283D                        636132      
                                                                        
 38 39        1                 1 V2000
   -1.6833    2.3692    0.5093 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
636132  

> <STRCTYPE>
K   

$$$$
636786
          1016 111283D                        636786      
                                                                        
 36 38        0                 1 V2000
    3.5592    1.7896    1.8891 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
636786  

> <STRCTYPE>
K   

$$$$
636817
          1016 111283D                        636817      
                                                                        
 37 39        1                 1 V2000
   -0.1443    1.8286    0.1518 S   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
636817  

> <STRCTYPE>
K   

$$$$
637578
          1016 111283D                        637578      
                                                                        
 40 43        0                 1 V2000
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M  END
> <NSC>
637578  

> <STRCTYPE>
K   

$$$$
637680
          1016 111283D                        637680      
                                                                        
 42 44        1                 1 V2000
    1.6948    3.4825   -3.5629 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
637680  

> <STRCTYPE>
K   

$$$$
637729
          1016 111283D                        637729      
                                                                        
 29 31        0                 1 V2000
    1.3516    0.7338    3.2767 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
637729  

> <STRCTYPE>
K   

$$$$
637731
          1016 111283D                        637731      
                                                                        
 36 38        0                 1 V2000
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    8.7512    2.0067    2.0615 H   0  0  0  0  0  0  0  0  0
   10.8859    3.2343    2.0470 H   0  0  0  0  0  0  0  0  0
   11.9332    3.8574   -0.0925 H   0  0  0  0  0  0  0  0  0
   10.8462    3.2523   -2.2177 H   0  0  0  0  0  0  0  0  0
    8.7161    2.0176   -2.2032 H   0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
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 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
> <NSC>
637731  

> <STRCTYPE>
K   

$$$$
637833
          1016 111283D                        637833      
                                                                        
 23 22        0                 1 V2000
    2.8109    0.1893   -3.4650 C   0  0  0  0  0  0  0  0  0
    1.5294   -0.3687   -4.5708 S   0  0  0  0  0  0  0  0  0
    0.3022   -1.1618   -3.4903 C   0  0  0  0  0  0  0  0  0
   -0.5264    0.1003   -2.4822 S   0  0  0  0  0  0  0  0  0
   -1.4628   -0.8446   -1.2985 C   0  0  0  0  0  0  0  0  0
   -2.2833   -0.1407   -0.2660 C   0  0  0  0  0  0  0  0  0
   -1.4395   -2.0519   -1.3258 O   0  0  0  0  0  0  0  0  0
   -0.9266   -2.0274   -4.5122 S   0  0  0  0  0  0  0  0  0
   -0.0406   -3.4055   -5.2141 C   0  0  0  0  0  0  0  0  0
    1.1285   -3.5635   -4.9559 O   0  0  0  0  0  0  0  0  0
   -0.7385   -4.3668   -6.1265 C   0  0  0  0  0  0  0  0  0
    2.7057   -0.0016   -2.2772 O   0  0  0  0  0  0  0  0  0
    4.0202    0.8911   -4.0024 C   0  0  0  0  0  0  0  0  0
    0.7937   -1.8664   -2.8367 H   0  0  0  0  0  0  0  0  0
   -2.7773   -0.8699    0.3585 H   0  0  0  0  0  0  0  0  0
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   -3.0220    0.4745   -0.7571 H   0  0  0  0  0  0  0  0  0
   -0.1861   -5.2939   -6.1722 H   0  0  0  0  0  0  0  0  0
   -1.7361   -4.5601   -5.7619 H   0  0  0  0  0  0  0  0  0
   -0.7958   -3.9376   -7.1156 H   0  0  0  0  0  0  0  0  0
    4.4959    1.4556   -3.2140 H   0  0  0  0  0  0  0  0  0
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    3.7322    1.5594   -4.7999 H   0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  2  0  0  0  0
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 11 18  1  0  0  0  0
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 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <NSC>
637833  

> <STRCTYPE>
K   

$$$$
637914
          1016 111283D                        637914      
                                                                        
 36 37        0                 1 V2000
    5.2175    6.4301    1.9040 C   0  0  0  0  0  0  0  0  0
    5.9729    6.3225    0.7339 C   0  0  0  0  0  0  0  0  0
    5.9114    5.1690   -0.0114 C   0  0  0  0  0  0  0  0  0
    5.0981    4.1164    0.4024 C   0  0  0  0  0  0  0  0  0
    4.3442    4.2242    1.5687 C   0  0  0  0  0  0  0  0  0
    4.4013    5.3747    2.3189 C   0  0  0  0  0  0  0  0  0
    5.2842    7.6635    2.7092 C   0  0  0  0  0  0  0  0  0
    4.6223    7.7596    3.7194 O   0  0  0  0  0  0  0  0  0
    5.9190    8.4737    2.3976 H   0  0  0  0  0  0  0  0  0
    5.0385    2.9558   -0.3527 N   0  0  0  0  0  0  0  0  0
    6.2476    2.4278   -0.9845 C   0  0  0  0  0  0  0  0  0
    7.3381    2.2429    0.0789 C   0  0  0  0  0  0  0  0  0
    6.9310    1.1817    1.0085 C   0  0  0  0  0  0  0  0  0
    6.6066    0.3548    1.7377 N   0  0  0  0  0  0  0  0  0
    3.5958    2.1651   -0.5406 S   0  0  0  0  0  0  0  0  0
    3.5900    1.4745   -1.7845 O   0  0  0  0  0  0  0  0  0
    3.4238    1.2311    0.5193 O   0  0  0  0  0  0  0  0  0
    2.2755    3.3322   -0.5117 C   0  0  0  0  0  0  0  0  0
    2.4732    4.6109   -1.0027 C   0  0  0  0  0  0  0  0  0
    1.4355    5.5280   -0.9778 C   0  0  0  0  0  0  0  0  0
    0.2023    5.1648   -0.4614 C   0  0  0  0  0  0  0  0  0
    0.0067    3.8842    0.0292 C   0  0  0  0  0  0  0  0  0
    1.0434    2.9659    0.0009 C   0  0  0  0  0  0  0  0  0
    6.6013    7.1337    0.4120 H   0  0  0  0  0  0  0  0  0
    6.4920    5.0827   -0.9117 H   0  0  0  0  0  0  0  0  0
    3.7166    3.4108    1.8846 H   0  0  0  0  0  0  0  0  0
    3.8186    5.4547    3.2191 H   0  0  0  0  0  0  0  0  0
    6.0275    1.4650   -1.4450 H   0  0  0  0  0  0  0  0  0
    6.5955    3.1231   -1.7479 H   0  0  0  0  0  0  0  0  0
    8.2700    1.9695   -0.3998 H   0  0  0  0  0  0  0  0  0
    7.4641    3.1753    0.6299 H   0  0  0  0  0  0  0  0  0
    3.4302    4.8926   -1.4034 H   0  0  0  0  0  0  0  0  0
    1.5872    6.5217   -1.3589 H   0  0  0  0  0  0  0  0  0
   -0.6030    5.8768   -0.4414 H   0  0  0  0  0  0  0  0  0
   -0.9501    3.6027    0.4305 H   0  0  0  0  0  0  0  0  0
    0.8907    1.9708    0.3782 H   0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
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  4 10  1  0  0  0  0
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 10 15  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END
> <NSC>
637914  

> <STRCTYPE>
K   

$$$$
637916
          1016 111283D                        637916      
                                                                        
 48 50        0                 2 V2000
    9.5583   -1.0805   -5.3330 C   0  0  0  0  0  0  0  0  0
   10.2802   -0.2542   -4.4817 C   0  0  0  0  0  0  0  0  0
   11.4163    0.4023   -4.9350 C   0  0  0  0  0  0  0  0  0
   11.8156    0.2126   -6.2533 C   0  0  0  0  0  0  0  0  0
   11.0937   -0.6210   -7.0971 C   0  0  0  0  0  0  0  0  0
    9.9547   -1.2868   -6.6522 C   0  0  0  0  0  0  0  0  0
    9.2458   -2.1207   -7.4880 N   0  0  0  0  0  0  0  0  0
    9.2767   -1.9687   -8.9272 C   0  0  0  0  0  0  0  0  0
    8.7096   -0.6088   -9.3355 C   0  0  0  0  0  0  0  0  0
    8.6744   -0.4818  -10.8257 C   0  0  0  0  0  0  0  0  0
    8.6466   -0.3836  -11.9850 N   0  0  0  0  0  0  0  0  0
    8.4324   -3.1943   -6.9609 C   0  0  0  0  0  0  0  0  0
    6.9603   -2.7905   -6.9797 C   0  0  0  0  0  0  0  0  0
    6.1142   -3.8515   -6.3497 C   0  0  0  0  0  0  0  0  0
    5.4577   -4.6763   -5.8569 N   0  0  0  0  0  0  0  0  0
   12.1816    1.2940   -3.9914 C   0  0  0  0  0  0  0  0  0
   12.8403    2.3770   -4.4234 C   0  0  0  0  0  0  0  0  0
   12.8085    2.8959   -5.6609 N   0  0  0  0  0  0  0  0  0
   13.5259    3.9230   -5.6806 C   0  0  0  0  0  0  0  0  0
   14.1813    4.2466   -4.5224 O   0  0  0  0  0  0  0  0  0
   13.7514    3.2744   -3.6767 C   0  0  0  0  0  0  0  0  0
   14.0611    3.1611   -2.5148 O   0  0  0  0  0  0  0  0  0
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   12.9070    4.4529   -8.0736 C   0  0  0  0  0  0  0  0  0
   13.0441    5.2303   -9.2151 C   0  0  0  0  0  0  0  0  0
   13.9184    6.3078   -9.2266 C   0  0  0  0  0  0  0  0  0
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   14.5187    5.8342   -6.9460 C   0  0  0  0  0  0  0  0  0
   11.7831    3.1235   -8.1599 Cl  0  0  0  0  0  0  0  0  0
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   16.2638    7.9320   -6.8583 O   0  5  0  0  0  0  0  0  0
    8.6978   -1.5496   -4.9607 H   0  0  0  0  0  0  0  0  0
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   14.0180    6.8911  -10.0942 H   0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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 27 30  1  0  0  0  0
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 28 48  1  0  0  0  0
 30 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  CHG  2  30   1  32  -1
M  END
> <NSC>
637916  

> <STRCTYPE>
K   

$$$$
637993
          1016 111283D                        637993      
                                                                        
 54 57        0                 1 V2000
   16.0066    1.9418    0.5704 C   0  0  0  0  0  0  0  0  0
   15.2140    0.9161    1.0650 C   0  0  0  0  0  0  0  0  0
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   16.7384    1.7152   -0.5890 C   0  0  0  0  0  0  0  0  0
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   16.3444   -3.1932   -3.0515 C   0  0  0  0  0  0  0  0  0
   16.9832   -3.5924   -4.2165 C   0  0  0  0  0  0  0  0  0
   17.8176   -2.6766   -4.8583 C   0  0  0  0  0  0  0  0  0
   18.0118   -1.3891   -4.3502 C   0  0  0  0  0  0  0  0  0
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   18.8021   -0.4581   -4.9532 N   0  0  0  0  0  0  0  0  0
   14.2529   -3.3025   -0.1336 C   0  0  0  0  0  0  0  0  0
   16.0061    3.1128    1.2707 O   0  0  0  0  0  0  0  0  0
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   18.7421   -0.1795   -6.3596 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
637993  

> <STRCTYPE>
K   

$$$$
638352
          1016 111283D                        638352      
                                                                        
 78 83        0                 1 V2000
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M  END
> <NSC>
638352  

> <STRCTYPE>
K   

$$$$
638504
          1016 111283D                        638504      
                                                                        
 36 39        1                 1 V2000
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M  END
> <NSC>
638504  

> <STRCTYPE>
K   

$$$$
638634
          1016 111283D                        638634      
                                                                        
 54 57        0                 1 V2000
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M  END
> <NSC>
638634  

> <STRCTYPE>
K   

$$$$
638646
          1016 111283D                        638646      
                                                                        
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M  END
> <NSC>
638646  

> <STRCTYPE>
K   

$$$$
639475
          1016 111283D                        639475      
                                                                        
 35 36        0                 1 V2000
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M  END
> <NSC>
639475  

> <STRCTYPE>
K   

$$$$
639754
          1016 111283D                        639754      
                                                                        
 37 39        0                 1 V2000
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M  END
> <NSC>
639754  

> <STRCTYPE>
K   

$$$$
639828
          1016 111283D                        639828      
                                                                        
 41 43        0                 1 V2000
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M  END
> <NSC>
639828  

> <STRCTYPE>
K   

$$$$
640199
          1016 111283D                        640199      
                                                                        
 80 86        1                 1 V2000
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 43 72  1  0  0  0  0
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 45 77  1  0  0  0  0
 46 78  1  0  0  0  0
 46 79  1  0  0  0  0
 46 80  1  0  0  0  0
M  END
> <NSC>
640199  

> <STRCTYPE>
K   

$$$$
640335
          1016 111283D                        640335      
                                                                        
 59 63        0                 2 V2000
    7.5738    2.3958   -1.6155 C   0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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 36 37  2  0  0  0  0
 39 41  1  0  0  0  0
 39 40  2  0  0  0  0
M  CHG  4  36   1  38  -1  39   1  41  -1
M  END
> <NSC>
640335  

> <STRCTYPE>
K   

$$$$
640342
          1016 111283D                        640342      
                                                                        
112118        0                 2 V2000
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M  CHG  6   8   1  10  -1  41   1  50   1  52  -1  60   1
M  END
> <NSC>
640342  

> <STRCTYPE>
K   

$$$$
640391
          1016 111283D                        640391      
                                                                        
 36 36        1                 1 V2000
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M  END
> <NSC>
640391  

> <STRCTYPE>
K   

$$$$
640499
          1016 111283D                        640499      
                                                                        
 47 50        0                 1 V2000
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M  END
> <NSC>
640499  

> <STRCTYPE>
K   

$$$$
640506
          1016 111283D                        640506      
                                                                        
 72 71        0                 1 V2000
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M  END
> <NSC>
640506  

> <STRCTYPE>
K   

$$$$
640580
          1016 111283D                        640580      
                                                                        
 36 38        0                 1 V2000
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M  END
> <NSC>
640580  

> <STRCTYPE>
K   

$$$$
640584
          1016 111283D                        640584      
                                                                        
 54 58        0                 1 V2000
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M  END
> <NSC>
640584  

> <STRCTYPE>
K   

$$$$
640624
          1016 111283D                        640624      
                                                                        
 35 37        0                 1 V2000
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M  END
> <NSC>
640624  

> <STRCTYPE>
K   

$$$$
640637
          1016 111283D                        640637      
                                                                        
 62 66        0                 1 V2000
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M  END
> <NSC>
640637  

> <STRCTYPE>
K   

$$$$
640638
          1016 111283D                        640638      
                                                                        
 50 53        1                 1 V2000
    8.8420   16.5349   -7.4130 N   0  0  0  0  0  0  0  0  0
    9.1625   17.5480   -6.6151 C   0  0  0  0  0  0  0  0  0
   10.5241   17.8375   -6.3938 C   0  0  0  0  0  0  0  0  0
   11.4398   17.0818   -6.9951 N   0  0  0  0  0  0  0  0  0
   11.0499   16.0853   -7.7795 C   0  0  0  0  0  0  0  0  0
    9.7613   15.8305   -7.9739 N   0  0  0  0  0  0  0  0  0
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    7.2026   19.4236   -4.0142 C   0  0  0  0  0  0  0  0  0
    8.1869   18.6615   -4.6093 C   0  0  0  0  0  0  0  0  0
   10.9269   18.9581   -5.5122 C   0  0  0  0  0  0  0  0  0
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   11.6796   21.0521   -3.8646 C   0  0  0  0  0  0  0  0  0
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 30 31  2  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
> <NSC>
640638  

> <STRCTYPE>
K   

$$$$
640974
          1016 111283D                        640974      
                                                                        
 48 51        1                 1 V2000
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M  END
> <NSC>
640974  

> <STRCTYPE>
K   

$$$$
640985
          1016 111283D                        640985      
                                                                        
 59 63        1                 1 V2000
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M  END
> <NSC>
640985  

> <STRCTYPE>
K   

$$$$
641228
          1016 111283D                        641228      
                                                                        
 50 53        1                 1 V2000
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M  END
> <NSC>
641228  

> <STRCTYPE>
K   

$$$$
641233
          1016 111283D                        641233      
                                                                        
 59 64        1                 1 V2000
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M  END
> <NSC>
641233  

> <STRCTYPE>
K   

$$$$
641240
          1016 111283D                        641240      
                                                                        
 57 60        0                 1 V2000
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M  END
> <NSC>
641240  

> <STRCTYPE>
K   

$$$$
641245
          1016 111283D                        641245      
                                                                        
 57 61        0                 1 V2000
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M  END
> <NSC>
641245  

> <STRCTYPE>
K   

$$$$
641250
          1016 111283D                        641250      
                                                                        
 51 54        0                 1 V2000
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M  END
> <NSC>
641250  

> <STRCTYPE>
K   

$$$$
641253
          1016 111283D                        641253      
                                                                        
 51 54        0                 1 V2000
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M  END
> <NSC>
641253  

> <STRCTYPE>
K   

$$$$
641607
          1016 111283D                        641607      
                                                                        
 51 54        1                 1 V2000
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M  END
> <NSC>
641607  

> <STRCTYPE>
K   

$$$$
642033
          1016 111283D                        642033      
                                                                        
 63 65        1                 1 V2000
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M  END
> <NSC>
642033  

> <STRCTYPE>
K   

$$$$
642040
          1016 111283D                        642040      
                                                                        
 62 65        1                 1 V2000
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M  END
> <NSC>
642040  

> <STRCTYPE>
K   

$$$$
642048
          1016 111283D                        642048      
                                                                        
 54 55        0                 1 V2000
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M  END
> <NSC>
642048  

> <STRCTYPE>
K   

$$$$
642649
          1016 111283D                        642649      
                                                                        
 36 39        1                 1 V2000
   -2.1126   17.4160    3.8938 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
642649  

> <STRCTYPE>
K   

$$$$
643001
          1016 111283D                        643001      
                                                                        
 48 49        0                 1 V2000
   -0.0572    6.1328    3.9997 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
643001  

> <STRCTYPE>
K   

$$$$
643028
          1016 111283D                        643028      
                                                                        
 29 30        0                 1 V2000
   -1.8712    3.3770   -0.1267 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
643028  

> <STRCTYPE>
K   

$$$$
643031
          1016 111283D                        643031      
                                                                        
 29 30        0                 1 V2000
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M  END
> <NSC>
643031  

> <STRCTYPE>
K   

$$$$
643148
          1016 111283D                        643148      
                                                                        
 47 51        0                 2 V2000
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M  CHG  2   7   1   9  -1
M  END
> <NSC>
643148  

> <STRCTYPE>
K   

$$$$
643162
          1016 111283D                        643162      
                                                                        
 40 42        0                 1 V2000
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M  END
> <NSC>
643162  

> <STRCTYPE>
K   

$$$$
643163
          1016 111283D                        643163      
                                                                        
 37 39        0                 1 V2000
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M  END
> <NSC>
643163  

> <STRCTYPE>
K   

$$$$
643164
          1016 111283D                        643164      
                                                                        
 36 37        0                 1 V2000
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M  END
> <NSC>
643164  

> <STRCTYPE>
K   

$$$$
643174
          1016 111283D                        643174      
                                                                        
 37 39        0                 1 V2000
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M  END
> <NSC>
643174  

> <STRCTYPE>
K   

$$$$
643175
          1016 111283D                        643175      
                                                                        
 40 42        0                 1 V2000
    0.1049    1.1300   -0.6689 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
643175  

> <STRCTYPE>
K   

$$$$
643186
          1016 111283D                        643186      
                                                                        
 35 37        0                 1 V2000
   -2.0830    5.8111   -3.8277 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
643186  

> <STRCTYPE>
K   

$$$$
643351
          1016 111283D                        643351      
                                                                        
 57 60        0                 2 V2000
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M  CHG  5  13   2  14   1  27   2  28   1  29  -2
M  END
> <NSC>
643351  

> <STRCTYPE>
K   

$$$$
643774
          1016 111283D                        643774      
                                                                        
 47 47        0                 1 V2000
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M  END
> <NSC>
643774  

> <STRCTYPE>
K   

$$$$
643812
          1016 111283D                        643812      
                                                                        
 48 49        0                 1 V2000
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M  END
> <NSC>
643812  

> <STRCTYPE>
K   

$$$$
643826
          1016 111283D                        643826      
                                                                        
 97 96        1                 2 V2000
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 25 33  1  0  0  0  0
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 25 81  1  0  0  0  0
 26 29  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 82  1  0  0  0  0
 30 83  1  0  0  0  0
 31 32  1  0  0  0  0
 31 84  1  0  0  0  0
 31 85  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 32 36  1  0  0  0  0
 33 86  1  0  0  0  0
 33 87  1  0  0  0  0
 33 88  1  0  0  0  0
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 35 92  1  0  0  0  0
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 35 94  1  0  0  0  0
 36 95  1  0  0  0  0
 36 96  1  0  0  0  0
 36 97  1  0  0  0  0
M  CHG  2  27  -1  32   1
M  END
> <NSC>
643826  

> <STRCTYPE>
K   

$$$$
643834
          1016 111283D                        643834      
                                                                        
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M  END
> <NSC>
643834  

> <STRCTYPE>
K   

$$$$
643910
          1016 111283D                        643910      
                                                                        
 35 36        1                 1 V2000
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M  END
> <NSC>
643910  

> <STRCTYPE>
K   

$$$$
643915
          1016 111283D                        643915      
                                                                        
 32 34        0                 1 V2000
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M  END
> <NSC>
643915  

> <STRCTYPE>
K   

$$$$
644735
          1016 111283D                        644735      
                                                                        
 42 44        1                 2 V2000
    1.5499   -5.9601   -4.3080 N   0  3  0  0  0  0  0  0  0
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M  CHG  4   1   1  13   1  15  -1  29  -1
M  END
> <NSC>
644735  

> <STRCTYPE>
K   

$$$$
644794
          1016 111283D                        644794      
                                                                        
 50 53        1                 1 V2000
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M  END
> <NSC>
644794  

> <STRCTYPE>
K   

$$$$
645033
          1016 111283D                        645033      
                                                                        
 40 43        0                 1 V2000
    1.5443    0.0393    0.6763 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
645033  

> <STRCTYPE>
K   

$$$$
645547
          1016 111283D                        645547      
                                                                        
 42 43        0                 1 V2000
   10.7325    6.1541    2.9805 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
645547  

> <STRCTYPE>
K   

$$$$
645567
          1016 111283D                        645567      
                                                                        
 59 58        0                 1 V2000
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M  END
> <NSC>
645567  

> <STRCTYPE>
K   

$$$$
645727
          1016 111283D                        645727      
                                                                        
 39 39        0                 1 V2000
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> <NSC>
645727  

> <STRCTYPE>
K   

$$$$
645987
          1016 111283D                        645987      
                                                                        
 28 30        0                 1 V2000
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M  END
> <NSC>
645987  

> <STRCTYPE>
K   

$$$$
646189
          1016 111283D                        646189      
                                                                        
 42 43        1                 1 V2000
    2.5196    5.1714   -2.8813 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
646189  

> <STRCTYPE>
K   

$$$$
646200
          1016 111283D                        646200      
                                                                        
 41 41        1                 2 V2000
    0.3710    1.5985    3.9689 C   0  0  0  0  0  0  0  0  0
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M  CHG  2  12   1  14  -1
M  END
> <NSC>
646200  

> <STRCTYPE>
K   

$$$$
646242
          1016 111283D                        646242      
                                                                        
 35 36        0                 1 V2000
    3.0483    2.2874   -0.3595 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
646242  

> <STRCTYPE>
K   

$$$$
647363
          1016 111283D                        647363      
                                                                        
 47 49        0                 1 V2000
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M  END
> <NSC>
647363  

> <STRCTYPE>
K   

$$$$
647418
          1016 111283D                        647418      
                                                                        
 64 67        1                 1 V2000
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M  END
> <NSC>
647418  

> <STRCTYPE>
K   

$$$$
647613
          1016 111283D                        647613      
                                                                        
 45 48        1                 1 V2000
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M  END
> <NSC>
647613  

> <STRCTYPE>
K   

$$$$
647889
          1016 111283D                        647889      
                                                                        
 87 92        1                 1 V2000
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M  END
> <NSC>
647889  

> <STRCTYPE>
K   

$$$$
648320
          1016 111283D                        648320      
                                                                        
 28 29        0                 1 V2000
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M  END
> <NSC>
648320  

> <STRCTYPE>
K   

$$$$
648419
          1016 111283D                        648419      
                                                                        
 52 55        0                 1 V2000
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M  END
> <NSC>
648419  

> <STRCTYPE>
K   

$$$$
648422
          1016 111283D                        648422      
                                                                        
 44 46        0                 1 V2000
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M  END
> <NSC>
648422  

> <STRCTYPE>
K   

$$$$
650573
          1016 111283D                        650573      
                                                                        
 34 37        0                 1 V2000
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M  END
> <NSC>
650573  

> <STRCTYPE>
K   

$$$$
650792
          1016 111283D                        650792      
                                                                        
 52 53        0                 1 V2000
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M  END
> <NSC>
650792  

> <STRCTYPE>
K   

$$$$
651079
          1016 111283D                        651079      
                                                                        
 40 43        1                 1 V2000
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M  END
> <NSC>
651079  

> <STRCTYPE>
K   

$$$$
651080
          1016 111283D                        651080      
                                                                        
 37 40        1                 1 V2000
   -1.4305   -1.6144    8.3604 O   0  0  0  0  0  0  0  0  0
   -1.6168   -0.4232    8.4497 C   0  0  0  0  0  0  0  0  0
   -1.3104    0.3240    9.7309 C   0  0  0  0  0  0  0  0  0
   -2.1131    2.4365    8.6743 C   0  0  0  0  0  0  0  0  0
   -2.4150    1.7004    7.4075 C   0  0  0  0  0  0  0  0  0
   -2.1615    0.3487    7.2890 C   0  0  0  0  0  0  0  0  0
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   -1.5045   -1.6379   11.1973 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
651080  

> <STRCTYPE>
K   

$$$$
651084
          1016 111283D                        651084      
                                                                        
 42 44        1                 1 V2000
   -7.6479    2.5286    5.0385 O   0  0  0  0  0  0  0  0  0
   -6.5134    2.2322    4.7454 C   0  0  0  0  0  0  0  0  0
   -5.3517    3.1903    4.9687 C   0  0  0  0  0  0  0  0  0
   -3.8415    1.5672    3.8227 C   0  0  0  0  0  0  0  0  0
   -4.9611    0.5844    3.7083 C   0  0  0  0  0  0  0  0  0
   -6.2339    0.8924    4.1402 C   0  0  0  0  0  0  0  0  0
   -5.5382    4.3586    5.6617 N   0  0  0  0  0  0  0  0  0
   -2.9898    3.8737    4.5772 C   0  0  0  0  0  0  0  0  0
   -2.7388    1.3088    3.4015 O   0  0  0  0  0  0  0  0  0
   -5.0266   -0.6639    3.2295 N   0  0  0  0  0  0  0  0  0
   -4.1242   -1.5984    2.6464 C   0  0  0  0  0  0  0  0  0
   -5.1582   -2.5906    2.0746 C   0  0  0  0  0  0  0  0  0
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  -10.9809   -3.9303    1.2238 C   0  0  0  0  0  0  0  0  0
   -5.0048    5.1402    5.4524 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
651084  

> <STRCTYPE>
K   

$$$$
651714
          1016 111283D                        651714      
                                                                        
 87 90        1                 1 V2000
   14.8725   14.0436   -7.1685 N   0  0  0  0  0  0  0  0  0
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   16.7306   13.4655   -4.0830 C   0  0  0  0  0  0  0  0  0
   16.8600   12.4817   -3.1125 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
651714  

> <STRCTYPE>
K   

$$$$
652174
          1016 111283D                        652174      
                                                                        
 41 43        0                 1 V2000
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M  END
> <NSC>
652174  

> <STRCTYPE>
K   

$$$$
652287
          1016 111283D                        652287      
                                                                        
 31 33        0                 1 V2000
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M  END
> <NSC>
652287  

> <STRCTYPE>
K   

$$$$
653000
          1016 111283D                        653000      
                                                                        
 87 87        0                 1 V2000
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M  END
> <NSC>
653000  

> <STRCTYPE>
K   

$$$$
653010
          1016 111283D                        653010      
                                                                        
 36 38        1                 2 V2000
    8.5453    1.7969    2.6466 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
653010  

> <STRCTYPE>
K   

$$$$
653012
          1016 111283D                        653012      
                                                                        
 34 36        1                 1 V2000
    3.6766    2.2346    4.7529 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
653012  

> <STRCTYPE>
K   

$$$$
653016
          1016 111283D                        653016      
                                                                        
 41 44        1                 1 V2000
    4.6815    2.2701   -2.7722 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
653016  

> <STRCTYPE>
K   

$$$$
653558
          1016 111283D                        653558      
                                                                        
 56 55        0                 1 V2000
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M  END
> <NSC>
653558  

> <STRCTYPE>
K   

$$$$
654259
          1016 111283D                        654259      
                                                                        
 51 53        0                 1 V2000
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M  END
> <NSC>
654259  

> <STRCTYPE>
K   

$$$$
654705
          1016 111283D                        654705      
                                                                        
 35 36        0                 1 V2000
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M  END
> <NSC>
654705  

> <STRCTYPE>
K   

$$$$
656243
          1016 111283D                        656243      
                                                                        
 21 23        0                 1 V2000
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M  END
> <NSC>
656243  

> <STRCTYPE>
K   

$$$$
657278
          1016 111283D                        657278      
                                                                        
 31 34        0                 1 V2000
    0.3973    0.6142   -0.0911 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
657278  

> <STRCTYPE>
K   

$$$$
657298
          1016 111283D                        657298      
                                                                        
 60 62        1                 1 V2000
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M  END
> <NSC>
657298  

> <STRCTYPE>
K   

$$$$
657446
          1016 111283D                        657446      
                                                                        
 40 43        0                 2 V2000
   -1.6538   -0.1675   -0.5679 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
657446  

> <STRCTYPE>
K   

$$$$
657449
          1016 111283D                        657449      
                                                                        
 22 22        0                 1 V2000
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M  END
> <NSC>
657449  

> <STRCTYPE>
K   

$$$$
657456
          1016 111283D                        657456      
                                                                        
 35 38        0                 1 V2000
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M  END
> <NSC>
657456  

> <STRCTYPE>
K   

$$$$
657457
          1016 111283D                        657457      
                                                                        
 52 55        0                 1 V2000
   -3.3445    4.6693    1.9655 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
657457  

> <STRCTYPE>
K   

$$$$
657547
          1016 111283D                        657547      
                                                                        
 28 30        0                 1 V2000
   -2.9170    1.6703    2.6597 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
657547  

> <STRCTYPE>
K   

$$$$
657598
          1016 111283D                        657598      
                                                                        
 38 41        0                 2 V2000
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  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 25  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 26  1  0  0  0  0
 24 25  1  0  0  0  0
 25 38  1  0  0  0  0
 26 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  5   2   1  17   1  19  -1  26   1  28  -1
M  END
> <NSC>
657598  

> <STRCTYPE>
K   

$$$$
657603
          1016 111283D                        657603      
                                                                        
 42 45        0                 2 V2000
   13.3668   -2.9805    3.4009 C   0  0  0  0  0  0  0  0  0
   13.0295   -3.8867    2.4079 C   0  0  0  0  0  0  0  0  0
   11.8719   -3.6851    1.6727 C   0  0  0  0  0  0  0  0  0
   11.0644   -2.5876    1.9451 C   0  0  0  0  0  0  0  0  0
   11.3713   -1.6622    2.9420 C   0  0  0  0  0  0  0  0  0
   12.5526   -1.8836    3.6526 C   0  0  0  0  0  0  0  0  0
    9.8178   -2.3766    1.1493 C   0  0  0  0  0  0  0  0  0
    9.0232   -1.3087    1.4085 N   0  0  0  0  0  0  0  0  0
    9.3810   -0.4515    2.4031 C   0  0  0  0  0  0  0  0  0
   10.5045   -0.6015    3.1622 N   0  3  0  0  0  0  0  0  0
    8.4384    0.9181    2.7991 S   0  0  0  0  0  0  0  0  0
    9.5500    1.3182    4.0145 C   0  0  0  0  0  0  0  0  0
   10.5898    0.4067    4.0857 C   0  0  0  0  0  0  0  0  0
   11.6430    0.6369    5.1376 C   0  0  0  0  0  0  0  0  0
   11.6614   -0.1483    6.2856 C   0  0  0  0  0  0  0  0  0
   12.6334    0.0609    7.2557 C   0  0  0  0  0  0  0  0  0
   13.5915    1.0529    7.0887 C   0  0  0  0  0  0  0  0  0
   13.5733    1.8405    5.9441 C   0  0  0  0  0  0  0  0  0
   12.6002    1.6335    4.9725 C   0  0  0  0  0  0  0  0  0
   14.5201    1.2178    8.0594 N   0  3  0  0  0  0  0  0  0
   15.4171    2.0864    7.9792 O   0  0  0  0  0  0  0  0  0
   14.4389    0.3378    9.2156 O   0  5  0  0  0  0  0  0  0
    9.5197   -3.1544    0.2777 O   0  0  0  0  0  0  0  0  0
    7.8255   -1.1202    0.6238 C   0  0  0  0  0  0  0  0  0
    6.6725   -1.8792    1.2819 C   0  0  0  0  0  0  0  0  0
    5.3664   -1.7049    0.5102 C   0  0  0  0  0  0  0  0  0
   14.2433   -3.1268    3.9641 H   0  0  0  0  0  0  0  0  0
   13.6456   -4.7173    2.2145 H   0  0  0  0  0  0  0  0  0
   11.6103   -4.3639    0.9127 H   0  0  0  0  0  0  0  0  0
   12.8752   -1.2355    4.4020 H   0  0  0  0  0  0  0  0  0
    9.4542    2.1596    4.6381 H   0  0  0  0  0  0  0  0  0
   10.9435   -0.9034    6.4291 H   0  0  0  0  0  0  0  0  0
   12.6495   -0.5324    8.1247 H   0  0  0  0  0  0  0  0  0
   14.2964    2.5924    5.8144 H   0  0  0  0  0  0  0  0  0
   12.5956    2.2366    4.1108 H   0  0  0  0  0  0  0  0  0
    7.5670   -0.0740    0.5348 H   0  0  0  0  0  0  0  0  0
    7.9653   -1.5028   -0.3792 H   0  0  0  0  0  0  0  0  0
    6.9163   -2.9318    1.3199 H   0  0  0  0  0  0  0  0  0
    6.5316   -1.5179    2.2903 H   0  0  0  0  0  0  0  0  0
    5.4765   -2.0855   -0.4951 H   0  0  0  0  0  0  0  0  0
    4.5791   -2.2533    1.0073 H   0  0  0  0  0  0  0  0  0
    5.0938   -0.6601    0.4690 H   0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6 30  1  0  0  0  0
  7 23  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
 24 25  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  CHG  3  10   1  20   1  22  -1
M  END
> <NSC>
657603  

> <STRCTYPE>
K   

$$$$
657722
          1016 111283D                        657722      
                                                                        
 53 55        1                 1 V2000
    0.9710   -5.5300   -2.3497 C   0  0  0  0  0  0  0  0  0
    1.5586   -5.0179   -1.2004 C   0  0  0  0  0  0  0  0  0
    1.3001   -3.7068   -0.8106 C   0  0  0  0  0  0  0  0  0
    0.4425   -2.9216   -1.5735 C   0  0  0  0  0  0  0  0  0
   -0.1434   -3.4345   -2.7231 C   0  0  0  0  0  0  0  0  0
    0.1225   -4.7398   -3.1133 C   0  0  0  0  0  0  0  0  0
    2.6122   -6.0567   -0.2809 Cl  0  0  0  0  0  0  0  0  0
    1.9227   -3.1125    0.4219 C   0  0  0  0  0  0  0  0  0
    0.6470   -3.1264    1.7068 S   0  0  0  0  0  0  0  0  0
    1.1444   -2.5259    2.9048 O   0  0  0  0  0  0  0  0  0
   -0.4873   -2.3898    1.2435 O   0  0  0  0  0  0  0  0  0
    0.1506   -4.8368    2.0312 C   0  0  1  0  0  0  0  0  0
    1.3484   -5.5864    2.5300 C   0  0  0  0  0  0  0  0  0
    2.3639   -4.9954    2.8193 O   0  0  0  0  0  0  0  0  0
    1.2783   -7.0804    2.6630 C   0  0  0  0  0  0  0  0  0
    0.2217   -7.6293    2.4597 O   0  0  0  0  0  0  0  0  0
    2.3776   -7.8100    2.9985 N   0  0  0  0  0  0  0  0  0
    2.3332   -9.1447    3.2818 C   0  0  0  0  0  0  0  0  0
    3.2493   -9.9725    2.6367 C   0  0  0  0  0  0  0  0  0
    3.2190  -11.3457    2.8483 C   0  0  0  0  0  0  0  0  0
    2.2815  -11.8984    3.7086 C   0  0  0  0  0  0  0  0  0
    1.3865  -11.0735    4.3746 C   0  0  0  0  0  0  0  0  0
    1.4183   -9.6967    4.1808 C   0  0  0  0  0  0  0  0  0
    0.4512   -8.8506    4.9667 C   0  0  0  0  0  0  0  0  0
    4.2800   -9.3952    1.7042 C   0  0  0  0  0  0  0  0  0
   -1.0380   -4.7745    2.9554 C   0  0  0  0  0  0  0  0  0
   -0.8664   -4.6786    4.3329 C   0  0  0  0  0  0  0  0  0
   -1.9686   -4.6370    5.1774 C   0  0  0  0  0  0  0  0  0
   -3.2522   -4.6832    4.6505 C   0  0  0  0  0  0  0  0  0
   -3.4297   -4.7657    3.2764 C   0  0  0  0  0  0  0  0  0
   -2.3281   -4.8080    2.4316 C   0  0  0  0  0  0  0  0  0
   -2.6078   -4.9034    0.7134 Cl  0  0  0  0  0  0  0  0  0
    1.1703   -6.5190   -2.6413 H   0  0  0  0  0  0  0  0  0
    0.2332   -1.9331   -1.2829 H   0  0  0  0  0  0  0  0  0
   -0.7875   -2.8346   -3.2969 H   0  0  0  0  0  0  0  0  0
   -0.3173   -5.1291   -3.9844 H   0  0  0  0  0  0  0  0  0
    2.7817   -3.6754    0.7544 H   0  0  0  0  0  0  0  0  0
    2.2226   -2.0910    0.2409 H   0  0  0  0  0  0  0  0  0
   -0.1322   -5.2968    1.0977 H   0  0  0  0  0  0  0  0  0
    3.2342   -7.3550    3.0264 H   0  0  0  0  0  0  0  0  0
    3.9043  -11.9719    2.3565 H   0  0  0  0  0  0  0  0  0
    2.2500  -12.9380    3.8565 H   0  0  0  0  0  0  0  0  0
    0.6830  -11.4987    5.0295 H   0  0  0  0  0  0  0  0  0
   -0.4327   -8.6641    4.3750 H   0  0  0  0  0  0  0  0  0
    0.1520   -9.3551    5.8743 H   0  0  0  0  0  0  0  0  0
    0.9116   -7.9122    5.2380 H   0  0  0  0  0  0  0  0  0
    5.1180   -9.0416    2.2878 H   0  0  0  0  0  0  0  0  0
    4.6274  -10.1402    1.0041 H   0  0  0  0  0  0  0  0  0
    3.8636   -8.5685    1.1475 H   0  0  0  0  0  0  0  0  0
    0.0991   -4.6371    4.7453 H   0  0  0  0  0  0  0  0  0
   -1.8319   -4.5703    6.2168 H   0  0  0  0  0  0  0  0  0
   -4.0868   -4.6553    5.2886 H   0  0  0  0  0  0  0  0  0
   -4.3995   -4.7963    2.8739 H   0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 33  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
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 13 14  2  0  0  0  0
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 18 23  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
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 25 48  1  0  0  0  0
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 26 31  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 50  1  0  0  0  0
 28 29  2  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 30 31  2  0  0  0  0
 30 53  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <NSC>
657722  

> <STRCTYPE>
K   

$$$$
657799
          1016 111283D                        657799      
                                                                        
 71 72        1                 1 V2000
   -4.8458   -4.9267   24.0364 C   0  0  0  0  0  0  0  0  0
   -5.8996   -4.4526   24.8052 C   0  0  0  0  0  0  0  0  0
   -4.7848   -6.2666   23.6736 C   0  0  0  0  0  0  0  0  0
   -5.7892   -7.1352   24.0820 C   0  0  0  0  0  0  0  0  0
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   -6.9092   -5.3232   25.2148 C   0  0  0  0  0  0  0  0  0
   -5.8950   -3.1292   25.1255 O   0  0  0  0  0  0  0  0  0
   -5.6848   -2.9287   26.5088 C   0  0  0  0  0  0  0  0  0
   -7.9582   -4.8932   25.9745 O   0  0  0  0  0  0  0  0  0
   -9.2206   -5.0170   25.3428 C   0  0  0  0  0  0  0  0  0
   -3.6356   -6.7707   22.8482 C   0  0  0  0  0  0  0  0  0
   -2.5588   -7.3774   23.7478 C   0  0  0  0  0  0  0  0  0
   -2.0626   -6.3535   24.6712 N   0  0  0  0  0  0  0  0  0
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   -0.6236   -6.1106   24.5621 C   0  0  0  0  0  0  0  0  0
   -0.0804   -4.9813   25.4423 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
657799  

> <STRCTYPE>
K   

$$$$
658139
          1016 111283D                        658139      
                                                                        
 53 58        0                 3 V2000
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M  CHG  8   3   1   4   1   7   1   8   1   9   1  16   1  18  -1  19   1
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M  END
> <NSC>
658139  

> <STRCTYPE>
K   

$$$$
658144
          1016 111283D                        658144      
                                                                        
 34 36        0                 1 V2000
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M  END
> <NSC>
658144  

> <STRCTYPE>
K   

$$$$
658285
          1016 111283D                        658285      
                                                                        
 33 35        0                 2 V2000
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M  CHG  2   7   1   9   1
M  END
> <NSC>
658285  

> <STRCTYPE>
K   

$$$$
658293
          1016 111283D                        658293      
                                                                        
 38 40        0                 2 V2000
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M  CHG  3   9   1  22   1  24  -1
M  END
> <NSC>
658293  

> <STRCTYPE>
K   

$$$$
658350
          1016 111283D                        658350      
                                                                        
 58 61        0                 1 V2000
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M  END
> <NSC>
658350  

> <STRCTYPE>
K   

$$$$
658388
          1016 111283D                        658388      
                                                                        
 47 49        0                 1 V2000
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M  END
> <NSC>
658388  

> <STRCTYPE>
K   

$$$$
658494
          1016 111283D                        658494      
                                                                        
 48 51        0                 1 V2000
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M  END
> <NSC>
658494  

> <STRCTYPE>
K   

$$$$
658709
          1016 111283D                        658709      
                                                                        
 37 38        0                 1 V2000
   -0.0502    5.3680   -3.6816 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
658709  

> <STRCTYPE>
K   

$$$$
659174
          1016 111283D                        659174      
                                                                        
 30 29        1                 1 V2000
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M  END
> <NSC>
659174  

> <STRCTYPE>
K   

$$$$
659501
          1016 111283D                        659501      
                                                                        
 28 30        0                 1 V2000
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M  END
> <NSC>
659501  

> <STRCTYPE>
K   

$$$$
659999
          1016 111283D                        659999      
                                                                        
 48 50        0                 1 V2000
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M  END
> <NSC>
659999  

> <STRCTYPE>
K   

$$$$
662306
          1016 111283D                        662306      
                                                                        
 51 55        1                 1 V2000
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M  END
> <NSC>
662306  

> <STRCTYPE>
K   

$$$$
662553
          1016 111283D                        662553      
                                                                        
 37 40        0                 1 V2000
   -0.1106    1.5685    0.4033 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
662553  

> <STRCTYPE>
K   

$$$$
662825
          1016 111283D                        662825      
                                                                        
 30 29        1                 1 V2000
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M  END
> <NSC>
662825  

> <STRCTYPE>
K   

$$$$
663996
          1016 111283D                        663996      
                                                                        
 36 38        0                 1 V2000
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M  END
> <NSC>
663996  

> <STRCTYPE>
K   

$$$$
664173
          1016 111283D                        664173      
                                                                        
 40 42        0                 1 V2000
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M  END
> <NSC>
664173  

> <STRCTYPE>
K   

$$$$
664181
          1016 111283D                        664181      
                                                                        
 34 34        1                 1 V2000
    0.2021    1.7228    0.1167 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
664181  

> <STRCTYPE>
K   

$$$$
664286
          1016 111283D                        664286      
                                                                        
 33 35        0                 1 V2000
    3.0721   -1.7005   -5.1670 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
664286  

> <STRCTYPE>
K   

$$$$
664298
          1016 111283D                        664298      
                                                                        
 31 32        1                 1 V2000
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M  END
> <NSC>
664298  

> <STRCTYPE>
K   

$$$$
664327
          1016 111283D                        664327      
                                                                        
 35 35        1                 1 V2000
   -1.8597   -1.6289    0.7352 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
664327  

> <STRCTYPE>
K   

$$$$
664329
          1016 111283D                        664329      
                                                                        
 29 29        0                 1 V2000
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M  END
> <NSC>
664329  

> <STRCTYPE>
K   

$$$$
664331
          1016 111283D                        664331      
                                                                        
 29 31        0                 2 V2000
   -0.7551    2.8746   -0.8915 N   0  0  0  0  0  0  0  0  0
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M  CHG  3   4   1   5   1  15   1
M  END
> <NSC>
664331  

> <STRCTYPE>
K   

$$$$
664704
          1016 111283D                        664704      
                                                                        
 31 34        0                 1 V2000
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M  END
> <NSC>
664704  

> <STRCTYPE>
K   

$$$$
665614
          1016 111283D                        665614      
                                                                        
 84 90        1                 2 V2000
    3.9447    4.6841    4.9022 C   0  0  0  0  0  0  0  0  0
    3.2123    4.1200    3.8747 C   0  0  0  0  0  0  0  0  0
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M  CHG  2   9  -1  10  -1
M  END
> <NSC>
665614  

> <STRCTYPE>
K   

$$$$
666526
          1016 111283D                        666526      
                                                                        
 29 29        1                 1 V2000
    2.9089   -3.3193    3.6039 C   0  0  0  0  0  0  0  0  0
    1.9568   -3.2749    2.4101 C   0  0  0  0  0  0  0  0  0
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   -0.4752   -4.3519   -4.8896 Cl  0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
666526  

> <STRCTYPE>
K   

$$$$
667235
          1016 111283D                        667235      
                                                                        
 30 31        0                 1 V2000
    1.8766    6.5991   -0.7513 C   0  0  0  0  0  0  0  0  0
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 18 30  1  0  0  0  0
M  END
> <NSC>
667235  

> <STRCTYPE>
K   

$$$$
667251
          1016 111283D                        667251      
                                                                        
 35 36        0                 1 V2000
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M  END
> <NSC>
667251  

> <STRCTYPE>
K   

$$$$
667467
          1016 111283D                        667467      
                                                                        
 33 36        1                 1 V2000
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M  END
> <NSC>
667467  

> <STRCTYPE>
K   

$$$$
668260
          1016 111283D                        668260      
                                                                        
 46 49        1                 1 V2000
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M  END
> <NSC>
668260  

> <STRCTYPE>
K   

$$$$
668270
          1016 111283D                        668270      
                                                                        
 42 45        1                 1 V2000
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M  END
> <NSC>
668270  

> <STRCTYPE>
K   

$$$$
669356
          1016 111283D                        669356      
                                                                        
102104        1                 1 V2000
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M  END
> <NSC>
669356  

> <STRCTYPE>
K   

$$$$
670036
          1016 111283D                        670036      
                                                                        
 31 33        1                 1 V2000
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   -1.0086   -0.7591   -1.3695 C   0  0  0  0  0  0  0  0  0
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   -1.5403   -1.8899   -2.0287 O   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
670036  

> <STRCTYPE>
K   

$$$$
670140
          1016 111283D                        670140      
                                                                        
 42 45        1                 1 V2000
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M  END
> <NSC>
670140  

> <STRCTYPE>
K   

$$$$
670224
          1016 111283D                        670224      
                                                                        
 58 59        0                 1 V2000
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M  END
> <NSC>
670224  

> <STRCTYPE>
K   

$$$$
670225
          1016 111283D                        670225      
                                                                        
 61 62        0                 1 V2000
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M  END
> <NSC>
670225  

> <STRCTYPE>
K   

$$$$
670226
          1016 111283D                        670226      
                                                                        
 58 59        0                 1 V2000
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M  END
> <NSC>
670226  

> <STRCTYPE>
K   

$$$$
670229
          1016 111283D                        670229      
                                                                        
 61 62        0                 1 V2000
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M  END
> <NSC>
670229  

> <STRCTYPE>
K   

$$$$
671136
          1016 111283D                        671136      
                                                                        
 53 57        0                 1 V2000
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M  END
> <NSC>
671136  

> <STRCTYPE>
K   

$$$$
671394
          1016 111283D                        671394      
                                                                        
 72 76        0                 1 V2000
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M  END
> <NSC>
671394  

> <STRCTYPE>
K   

$$$$
672425
          1016 111283D                        672425      
                                                                        
 39 42        1                 1 V2000
    0.5211    1.5012    0.2759 C   0  0  0  0  0  0  0  0  0
    0.6432    0.1406    0.2599 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
672425  

> <STRCTYPE>
K   

$$$$
672911
          1016 111283D                        672911      
                                                                        
 39 42        1                 1 V2000
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M  END
> <NSC>
672911  

> <STRCTYPE>
K   

$$$$
673622
          1016 111283D                        673622      
                                                                        
 58 60        1                 1 V2000
   -4.1494    5.4086   10.0546 C   0  0  0  0  0  0  0  0  0
   -5.4025    5.1820   10.6175 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
673622  

> <STRCTYPE>
K   

$$$$
673912
          1016 111283D                        673912      
                                                                        
 27 30        1                 1 V2000
    0.2095    1.6351   -0.0165 C   0  0  0  0  0  0  0  0  0
    0.3213    0.1097    0.0327 C   0  0  2  0  0  0  0  0  0
    1.3268   -0.2336    1.1349 C   0  0  2  0  0  0  0  0  0
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M  END
> <NSC>
673912  

> <STRCTYPE>
K   

$$$$
674495
          1016 111283D                        674495      
                                                                        
 29 31        0                 1 V2000
    0.9892   -1.5166    0.0506 C   0  0  0  0  0  0  0  0  0
    0.2577   -0.3339   -0.0097 C   0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
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 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
> <NSC>
674495  

> <STRCTYPE>
K   

$$$$
675593
          1016 111283D                        675593      
                                                                        
 88 90        0                 2 V2000
   40.6716   39.3508   51.2853 N   0  0  0  0  0  0  0  0  0
   41.2057   38.1393   51.5276 C   0  0  0  0  0  0  0  0  0
   42.3467   37.7894   50.8990 N   0  0  0  0  0  0  0  0  0
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   42.0621   41.7152   48.1155 O   0  5  0  0  0  0  0  0  0
   46.1170   38.9533   48.1229 C   0  0  0  0  0  0  0  0  0
   45.2657   39.1851   49.3799 C   0  0  0  0  0  0  0  0  0
   44.1909   38.2263   49.5688 N   0  0  0  0  0  0  0  0  0
   44.4646   36.8304   49.3237 C   0  0  0  0  0  0  0  0  0
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   50.2922   36.3656   47.1752 N   0  0  0  0  0  0  0  0  0
   49.7482   37.4334   46.5585 C   0  0  0  0  0  0  0  0  0
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   50.5038   38.1404   45.4763 C   0  0  0  0  0  0  0  0  0
   40.5365   37.2058   52.4850 C   0  0  0  0  0  0  0  0  0
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   51.6025   33.5749   47.9155 C   0  0  0  0  0  0  0  0  0
   51.5561   33.9673   46.4030 S   0  0  0  0  0  0  0  0  0
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   39.9617   44.7713   50.5633 C   0  0  0  0  0  0  0  0  0
   40.1472   45.5165   49.2408 C   0  0  0  0  0  0  0  0  0
   38.8514   46.1864   48.7873 C   0  0  0  0  0  0  0  0  0
   42.1872   45.1410   51.5835 C   0  0  0  0  0  0  0  0  0
   42.2233   45.0519   53.1115 C   0  0  0  0  0  0  0  0  0
   40.8821   45.4097   53.7486 C   0  0  0  0  0  0  0  0  0
   52.4385   32.5820   48.3604 N   0  0  0  0  0  0  0  0  0
   53.3973   31.9487   47.4856 C   0  0  0  0  0  0  0  0  0
   54.5853   32.8866   47.2596 C   0  0  0  0  0  0  0  0  0
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   52.3790   32.1366   49.7322 C   0  0  0  0  0  0  0  0  0
   51.3784   30.9820   49.8019 C   0  0  0  0  0  0  0  0  0
   51.2160   30.4390   51.2191 C   0  0  0  0  0  0  0  0  0
   45.5515   39.1955   47.2352 H   0  0  0  0  0  0  0  0  0
   46.9783   39.6069   48.1631 H   0  0  0  0  0  0  0  0  0
   45.9257   39.0814   50.2298 H   0  0  0  0  0  0  0  0  0
   44.9159   40.2076   49.3771 H   0  0  0  0  0  0  0  0  0
   44.8445   36.3988   50.2365 H   0  0  0  0  0  0  0  0  0
   43.5519   36.3032   49.0796 H   0  0  0  0  0  0  0  0  0
   45.8280   35.5791   48.2343 H   0  0  0  0  0  0  0  0  0
   44.8844   36.6606   47.2499 H   0  0  0  0  0  0  0  0  0
   49.9081   38.1687   44.5768 H   0  0  0  0  0  0  0  0  0
   50.7242   39.1479   45.7967 H   0  0  0  0  0  0  0  0  0
   51.4296   37.6198   45.2792 H   0  0  0  0  0  0  0  0  0
   39.5891   36.8982   52.0672 H   0  0  0  0  0  0  0  0  0
   41.1576   36.3372   52.6447 H   0  0  0  0  0  0  0  0  0
   40.3686   37.7133   53.4225 H   0  0  0  0  0  0  0  0  0
   39.2148   44.0020   50.4337 H   0  0  0  0  0  0  0  0  0
   39.5861   45.4663   51.3009 H   0  0  0  0  0  0  0  0  0
   40.9012   46.2813   49.3558 H   0  0  0  0  0  0  0  0  0
   40.4778   44.8178   48.4854 H   0  0  0  0  0  0  0  0  0
   38.5413   46.9201   49.5180 H   0  0  0  0  0  0  0  0  0
   39.0149   46.6809   47.8410 H   0  0  0  0  0  0  0  0  0
   38.0740   45.4459   48.6708 H   0  0  0  0  0  0  0  0  0
   43.1720   44.9291   51.1905 H   0  0  0  0  0  0  0  0  0
   41.9543   46.1622   51.3168 H   0  0  0  0  0  0  0  0  0
   42.4943   44.0526   53.4168 H   0  0  0  0  0  0  0  0  0
   42.9750   45.7366   53.4772 H   0  0  0  0  0  0  0  0  0
   40.1335   44.6872   53.4576 H   0  0  0  0  0  0  0  0  0
   40.9789   45.3987   54.8241 H   0  0  0  0  0  0  0  0  0
   40.5735   46.3953   53.4307 H   0  0  0  0  0  0  0  0  0
   53.7632   31.0338   47.9319 H   0  0  0  0  0  0  0  0  0
   52.9425   31.6916   46.5394 H   0  0  0  0  0  0  0  0  0
   54.2545   33.7642   46.7239 H   0  0  0  0  0  0  0  0  0
   54.9813   33.1967   48.2158 H   0  0  0  0  0  0  0  0  0
   56.4881   32.9192   46.2715 H   0  0  0  0  0  0  0  0  0
   56.0946   31.3763   47.0200 H   0  0  0  0  0  0  0  0  0
   55.3082   31.8540   45.5156 H   0  0  0  0  0  0  0  0  0
   53.3487   31.7907   50.0620 H   0  0  0  0  0  0  0  0  0
   52.0728   32.9264   50.4035 H   0  0  0  0  0  0  0  0  0
   50.4176   31.3271   49.4479 H   0  0  0  0  0  0  0  0  0
   51.7172   30.1835   49.1572 H   0  0  0  0  0  0  0  0  0
   50.5059   29.6246   51.2095 H   0  0  0  0  0  0  0  0  0
   52.1641   30.0770   51.5889 H   0  0  0  0  0  0  0  0  0
   50.8484   31.2186   51.8707 H   0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  2  0  0  0  0
  4 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 23  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 23  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 31  1  0  0  0  0
 24 26  1  0  0  0  0
 24 25  2  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 29 30  2  0  0  0  0
 29 33  1  0  0  0  0
 31 32  2  0  0  0  0
 31 40  1  0  0  0  0
 33 34  1  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 34 61  1  0  0  0  0
 34 62  1  0  0  0  0
 35 36  1  0  0  0  0
 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
 36 65  1  0  0  0  0
 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
 37 38  1  0  0  0  0
 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
 38 39  1  0  0  0  0
 38 70  1  0  0  0  0
 38 71  1  0  0  0  0
 39 72  1  0  0  0  0
 39 73  1  0  0  0  0
 39 74  1  0  0  0  0
 40 41  1  0  0  0  0
 40 44  1  0  0  0  0
 41 42  1  0  0  0  0
 41 75  1  0  0  0  0
 41 76  1  0  0  0  0
 42 43  1  0  0  0  0
 42 77  1  0  0  0  0
 42 78  1  0  0  0  0
 43 79  1  0  0  0  0
 43 80  1  0  0  0  0
 43 81  1  0  0  0  0
 44 45  1  0  0  0  0
 44 82  1  0  0  0  0
 44 83  1  0  0  0  0
 45 46  1  0  0  0  0
 45 84  1  0  0  0  0
 45 85  1  0  0  0  0
 46 86  1  0  0  0  0
 46 87  1  0  0  0  0
 46 88  1  0  0  0  0
M  CHG  4   8   1  10  -1  24   1  26  -1
M  END
> <NSC>
675593  

> <STRCTYPE>
K   

$$$$
676561
          1016 111283D                        676561      
                                                                        
 30 31        0                 1 V2000
   -1.5240    2.0047    2.6872 C   0  0  0  0  0  0  0  0  0
   -1.3485    1.6453    4.0217 C   0  0  0  0  0  0  0  0  0
   -0.2025    0.9417    4.3720 C   0  0  0  0  0  0  0  0  0
    0.7531    0.6079    3.4219 C   0  0  0  0  0  0  0  0  0
    0.5719    0.9769    2.0973 C   0  0  0  0  0  0  0  0  0
   -0.5708    1.6748    1.7315 C   0  0  0  0  0  0  0  0  0
    0.0792    0.4491    6.0566 S   0  0  0  0  0  0  0  0  0
    0.4392   -0.9311    5.9598 O   0  0  0  0  0  0  0  0  0
   -2.2302    1.9369    5.0251 O   0  0  0  0  0  0  0  0  0
   -3.4207    2.6312    4.7042 C   0  0  0  0  0  0  0  0  0
    1.5447    1.1468    6.2970 N   0  0  0  0  0  0  0  0  0
    1.6722    2.4761    6.5574 C   0  0  0  0  0  0  0  0  0
    0.5618    3.2913    6.7538 C   0  0  0  0  0  0  0  0  0
    0.7218    4.6482    7.0005 C   0  0  0  0  0  0  0  0  0
    1.9958    5.1972    7.0566 C   0  0  0  0  0  0  0  0  0
    3.1083    4.3865    6.8737 C   0  0  0  0  0  0  0  0  0
    2.9449    3.0296    6.6278 C   0  0  0  0  0  0  0  0  0
   -2.3800    2.5305    2.3871 H   0  0  0  0  0  0  0  0  0
    1.6121    0.0761    3.7104 H   0  0  0  0  0  0  0  0  0
    1.2962    0.7279    1.3783 H   0  0  0  0  0  0  0  0  0
   -0.7137    1.9539    0.7291 H   0  0  0  0  0  0  0  0  0
   -4.0030    2.7489    5.6064 H   0  0  0  0  0  0  0  0  0
   -3.1953    3.6128    4.3120 H   0  0  0  0  0  0  0  0  0
   -4.0109    2.0760    3.9884 H   0  0  0  0  0  0  0  0  0
    2.3289    0.5787    6.2422 H   0  0  0  0  0  0  0  0  0
   -0.4074    2.8888    6.7178 H   0  0  0  0  0  0  0  0  0
   -0.1221    5.2570    7.1441 H   0  0  0  0  0  0  0  0  0
    2.1173    6.2244    7.2379 H   0  0  0  0  0  0  0  0  0
    4.0732    4.7983    6.9205 H   0  0  0  0  0  0  0  0  0
    3.7881    2.4184    6.4931 H   0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <NSC>
676561  

> <STRCTYPE>
K   

$$$$
677392
          1016 111283D                        677392      
                                                                        
 97102        1                 1 V2000
  -13.2388    8.2436  -35.1962 C   0  0  0  0  0  0  0  0  0
  -12.4303    7.7424  -35.9411 O   0  0  0  0  0  0  0  0  0
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   -7.5086    3.5285  -19.7011 N   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
677392  

> <STRCTYPE>
K   

$$$$
678917
          1016 111283D                        678917      
                                                                        
 48 50        0                 1 V2000
    5.9804   -4.5895    3.2819 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
678917  

> <STRCTYPE>
K   

$$$$
678932
          1016 111283D                        678932      
                                                                        
 42 44        0                 1 V2000
   11.7746   -7.9313   -5.0766 C   0  0  0  0  0  0  0  0  0
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   12.0642  -10.2686   -5.3737 C   0  0  0  0  0  0  0  0  0
   11.9530   -9.1841   -4.5127 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
678932  

> <STRCTYPE>
K   

$$$$
679524
          1016 111283D                        679524      
                                                                        
 58 62        0                 1 V2000
   -5.2812    4.1349   17.1926 C   0  0  0  0  0  0  0  0  0
   -4.8696    2.8862   17.6286 C   0  0  0  0  0  0  0  0  0
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   -3.1731    4.2742   17.9875 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
679524  

> <STRCTYPE>
K   

$$$$
679527
          1016 111283D                        679527      
                                                                        
 56 59        0                 1 V2000
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M  END
> <NSC>
679527  

> <STRCTYPE>
K   

$$$$
680506
          1016 111283D                        680506      
                                                                        
 45 46        1                 1 V2000
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M  END
> <NSC>
680506  

> <STRCTYPE>
K   

$$$$
680509
          1016 111283D                        680509      
                                                                        
 51 53        0                 1 V2000
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 25 26  2  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  END
> <NSC>
680509  

> <STRCTYPE>
K   

$$$$
680516
          1016 111283D                        680516      
                                                                        
 40 42        0                 1 V2000
    0.0273    1.3951    0.3788 C   0  0  0  0  0  0  0  0  0
   -0.0375    0.0179    0.2191 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
680516  

> <STRCTYPE>
K   

$$$$
680718
          1016 111283D                        680718      
                                                                        
 45 48        0                 2 V2000
   10.4865   -3.7978   -2.1207 C   0  0  0  0  0  0  0  0  0
   10.9499   -3.4245   -3.3759 C   0  0  0  0  0  0  0  0  0
   10.9838   -2.0775   -3.6927 C   0  0  0  0  0  0  0  0  0
   10.5578   -1.1232   -2.7765 C   0  0  0  0  0  0  0  0  0
   10.0906   -1.4721   -1.5142 C   0  0  0  0  0  0  0  0  0
   10.0694   -2.8359   -1.2091 C   0  0  0  0  0  0  0  0  0
   10.5990    0.2103   -3.1364 C   0  0  0  0  0  0  0  0  0
   10.2031    1.1945   -2.2827 N   0  3  0  0  0  0  0  0  0
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    9.6788   -0.4597   -0.6389 C   0  0  0  0  0  0  0  0  0
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    8.9121    1.4842    1.2025 C   0  0  0  0  0  0  0  0  0
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M  CHG  1   8   1
M  END
> <NSC>
680718  

> <STRCTYPE>
K   

$$$$
680734
          1016 111283D                        680734      
                                                                        
 42 45        0                 1 V2000
    9.4241    3.0943    1.7743 C   0  0  0  0  0  0  0  0  0
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 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
> <NSC>
680734  

> <STRCTYPE>
K   

$$$$
681229
          1016 111283D                        681229      
                                                                        
 49 50        1                 1 V2000
   -8.5717   -0.1449    3.8959 C   0  0  2  0  0  0  0  0  0
   -8.7732    0.9942    2.9009 C   0  0  0  0  0  0  0  0  0
   -8.6932    0.4196    5.3108 C   0  0  0  0  0  0  0  0  0
   -9.9904    1.1773    5.4558 C   0  0  0  0  0  0  0  0  0
   -9.9385    2.5629    5.3503 C   0  0  0  0  0  0  0  0  0
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  -13.6037    0.7021    6.0005 C   0  0  0  0  0  0  0  0  0
  -13.6880   -0.6778    6.1206 C   0  0  0  0  0  0  0  0  0
  -12.5389   -1.4489    6.0240 C   0  0  0  0  0  0  0  0  0
  -11.3107   -0.8405    5.8031 C   0  0  0  0  0  0  0  0  0
   -7.8360    1.6146    2.4610 O   0  0  0  0  0  0  0  0  0
  -10.1163    2.4650    1.4589 C   0  0  2  0  0  0  0  0  0
   -9.9982    1.3896    2.4540 N   0  0  0  0  0  0  0  0  0
   -9.2947    4.0696    1.6152 B   0  0  0  0  0  0  0  0  0
   -9.2376    5.3913    2.5305 O   0  0  0  0  0  0  0  0  0
   -8.2068    5.0324    0.9396 O   0  0  0  0  0  0  0  0  0
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   -7.1596   -1.4627    3.1212 H   0  0  0  0  0  0  0  0  0
   -6.5091   -0.2985    4.0531 H   0  0  0  0  0  0  0  0  0
  1 24  1  1  0  0  0
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 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
> <NSC>
681229  

> <STRCTYPE>
K   

$$$$
681730
          1016 111283D                        681730      
                                                                        
 50 52        1                 1 V2000
   -6.3878   -2.0680    0.1882 C   0  0  1  0  0  0  0  0  0
   -5.6330   -2.9052   -0.7586 C   0  0  0  0  0  0  0  0  0
   -5.0505   -3.5512   -1.4892 N   0  0  0  0  0  0  0  0  0
   -7.5541   -1.4894   -0.4922 N   0  0  0  0  0  0  0  0  0
   -8.0971   -0.4594    0.4034 C   0  0  0  0  0  0  0  0  0
  -11.5420    0.2171   -0.9852 C   0  0  0  0  0  0  0  0  0
  -10.4781   -0.4132   -0.3680 C   0  0  0  0  0  0  0  0  0
   -9.2578    0.2288   -0.2679 C   0  0  0  0  0  0  0  0  0
   -9.1024    1.5018   -0.7830 C   0  0  0  0  0  0  0  0  0
  -10.1672    2.1332   -1.3987 C   0  0  0  0  0  0  0  0  0
  -11.3869    1.4910   -1.4996 C   0  0  0  0  0  0  0  0  0
  -10.2389    5.8335   -1.5673 C   0  0  1  0  0  0  0  0  0
  -11.2523    6.0434   -2.6141 C   0  0  0  0  0  0  0  0  0
  -12.0343    6.2054   -3.4220 N   0  0  0  0  0  0  0  0  0
  -10.3827    6.8962   -0.5086 C   0  0  0  0  0  0  0  0  0
   -9.3164    7.7235   -0.2105 C   0  0  0  0  0  0  0  0  0
   -9.4484    8.6985    0.7608 C   0  0  0  0  0  0  0  0  0
  -10.6467    8.8461    1.4335 C   0  0  0  0  0  0  0  0  0
  -11.7136    8.0191    1.1347 C   0  0  0  0  0  0  0  0  0
  -11.5831    7.0473    0.1606 C   0  0  0  0  0  0  0  0  0
   -6.8501   -2.9126    1.3475 C   0  0  0  0  0  0  0  0  0
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   -6.8174   -3.4187    3.6873 C   0  0  0  0  0  0  0  0  0
   -7.6988   -4.4618    3.4742 C   0  0  0  0  0  0  0  0  0
   -8.1565   -4.7301    2.1975 C   0  0  0  0  0  0  0  0  0
   -7.7358   -3.9528    1.1349 C   0  0  0  0  0  0  0  0  0
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   -8.1493    2.0038   -0.7041 H   0  0  0  0  0  0  0  0  0
  -12.2183    1.9835   -1.9818 H   0  0  0  0  0  0  0  0  0
   -9.2437    5.8920   -2.0082 H   0  0  0  0  0  0  0  0  0
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   -6.4599   -3.2091    4.6847 H   0  0  0  0  0  0  0  0  0
   -8.0295   -5.0676    4.3049 H   0  0  0  0  0  0  0  0  0
   -8.8449   -5.5455    2.0308 H   0  0  0  0  0  0  0  0  0
   -8.0963   -4.1600    0.1381 H   0  0  0  0  0  0  0  0  0
   -9.7780    4.4465   -0.1920 H   0  0  0  0  0  0  0  0  0
   -8.9496    3.6883   -2.2068 H   0  0  0  0  0  0  0  0  0
  -10.6046    3.6266   -2.8590 H   0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  6  0  0  0
  1 29  1  1  0  0  0
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  4 30  1  0  0  0  0
  5  8  1  0  0  0  0
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  7 34  1  0  0  0  0
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 13 14  3  0  0  0  0
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 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
> <NSC>
681730  

> <STRCTYPE>
K   

$$$$
681741
          1016 111283D                        681741      
                                                                        
 52 54        1                 1 V2000
    6.3631   11.4582    3.2083 C   0  0  1  0  0  0  0  0  0
    7.2078   12.6069    2.8426 C   0  0  0  0  0  0  0  0  0
    7.8596   13.4933    2.5601 N   0  0  0  0  0  0  0  0  0
    6.4565   11.2233    4.6513 N   0  0  0  0  0  0  0  0  0
    7.1078   10.0118    5.1556 C   0  0  0  0  0  0  0  0  0
    8.6066   10.2702    5.3225 C   0  0  0  0  0  0  0  0  0
    9.2974    8.9880    5.7096 C   0  0  0  0  0  0  0  0  0
    9.3522    8.6061    7.0368 C   0  0  0  0  0  0  0  0  0
    9.9860    7.4299    7.3920 C   0  0  0  0  0  0  0  0  0
   10.5642    6.6356    6.4198 C   0  0  0  0  0  0  0  0  0
   10.5084    7.0171    5.0921 C   0  0  0  0  0  0  0  0  0
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    2.4932   14.9058    4.2008 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
681741  

> <STRCTYPE>
K   

$$$$
681744
          1016 111283D                        681744      
                                                                        
 76 79        1                 1 V2000
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M  END
> <NSC>
681744  

> <STRCTYPE>
K   

$$$$
682769
          1016 111283D                        682769      
                                                                        
 54 58        0                 1 V2000
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M  END
> <NSC>
682769  

> <STRCTYPE>
K   

$$$$
682864
          1016 111283D                        682864      
                                                                        
 38 41        1                 1 V2000
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M  END
> <NSC>
682864  

> <STRCTYPE>
K   

$$$$
683792
          1016 111283D                        683792      
                                                                        
 78 83        0                 1 V2000
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M  END
> <NSC>
683792  

> <STRCTYPE>
K   

$$$$
684405
          1016 111283D                        684405      
                                                                        
 37 39        0                 1 V2000
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M  END
> <NSC>
684405  

> <STRCTYPE>
K   

$$$$
684480
          1016 111283D                        684480      
                                                                        
 46 50        0                 1 V2000
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M  END
> <NSC>
684480  

> <STRCTYPE>
K   

$$$$
684845
          1016 111283D                        684845      
                                                                        
 40 40        1                 1 V2000
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M  END
> <NSC>
684845  

> <STRCTYPE>
K   

$$$$
685096
          1016 111283D                        685096      
                                                                        
 84 85        1                 1 V2000
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M  END
> <NSC>
685096  

> <STRCTYPE>
K   

$$$$
686288
          1016 111283D                        686288      
                                                                        
 34 36        0                 1 V2000
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M  END
> <NSC>
686288  

> <STRCTYPE>
K   

$$$$
686349
          1016 111283D                        686349      
                                                                        
 42 44        0                 1 V2000
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M  END
> <NSC>
686349  

> <STRCTYPE>
K   

$$$$
687330
          1016 111283D                        687330      
                                                                        
 74 77        1                 1 V2000
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M  END
> <NSC>
687330  

> <STRCTYPE>
K   

$$$$
687667
          1016 111283D                        687667      
                                                                        
 39 41        0                 1 V2000
    0.4850    1.3816    2.0914 C   0  0  0  0  0  0  0  0  0
    0.3687    0.0550    1.7157 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
687667  

> <STRCTYPE>
K   

$$$$
687849
          1016 111283D                        687849      
                                                                        
 44 46        0                 1 V2000
  -10.4314   -2.9862    1.5084 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
687849  

> <STRCTYPE>
K   

$$$$
687852
          1016 111283D                        687852      
                                                                        
 48 50        0                 2 V2000
   -2.0173    6.3799  -12.9137 C   0  0  0  0  0  0  0  0  0
   -1.1489    6.6645  -11.7187 C   0  0  0  0  0  0  0  0  0
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M  CHG  4  26   1  28  -1  29   1  31  -1
M  END
> <NSC>
687852  

> <STRCTYPE>
K   

$$$$
688363
          1016 111283D                        688363      
                                                                        
100102        1                 1 V2000
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M  END
> <NSC>
688363  

> <STRCTYPE>
K   

$$$$
688795
          1016 111283D                        688795      
                                                                        
 28 29        0                 1 V2000
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M  END
> <NSC>
688795  

> <STRCTYPE>
K   

$$$$
689132
          1016 111283D                        689132      
                                                                        
 68 74        1                 1 V2000
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M  END
> <NSC>
689132  

> <STRCTYPE>
K   

$$$$
689138
          1016 111283D                        689138      
                                                                        
 77 83        1                 1 V2000
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M  END
> <NSC>
689138  

> <STRCTYPE>
	

$$$$
689228
          1016 111283D                        689228      
                                                                        
 73 73        1                 1 V2000
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M  END
> <NSC>
689228  

> <STRCTYPE>
K   

$$$$
689857
          1016 111283D                        689857      
                                                                        
 59 63        0                 1 V2000
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M  END
> <NSC>
689857  

> <STRCTYPE>
K   

$$$$
689872
          1016 111283D                        689872      
                                                                        
 43 46        0                 2 V2000
    5.7828    1.7071   -3.1326 C   0  0  0  0  0  0  0  0  0
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M  CHG  2  15   1  17  -1
M  END
> <NSC>
689872  

> <STRCTYPE>
K   

$$$$
690116
          1016 111283D                        690116      
                                                                        
 63 66        0                 1 V2000
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 33 34  2  0  0  0  0
 33 62  1  0  0  0  0
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M  END
> <NSC>
690116  

> <STRCTYPE>
K   

$$$$
690634
          1016 111283D                        690634      
                                                                        
 61 66        0                 2 V2000
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M  CHG  4  31   1  33  -1  34   1  36  -1
M  END
> <NSC>
690634  

> <STRCTYPE>
K   

$$$$
693053
          1016 111283D                        693053      
                                                                        
 28 29        0                 1 V2000
    0.6791   -0.3045   -0.5534 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
693053  

> <STRCTYPE>
K   

$$$$
693632
          1016 111283D                        693632      
                                                                        
 30 32        0                 1 V2000
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M  END
> <NSC>
693632  

> <STRCTYPE>
K   

$$$$
695218
          1016 111283D                        695218      
                                                                        
 24 24        1                 1 V2000
   -0.1009    0.8889   -1.1907 O   0  0  0  0  0  0  0  0  0
   -0.3607   -0.4343   -1.6215 C   0  0  0  0  0  0  0  0  0
    0.9767   -1.0454   -2.0210 C   0  0  0  0  0  0  0  0  0
    1.7290    0.2020   -2.4564 C   0  0  0  0  0  0  0  0  0
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   -0.8274   -1.0102   -0.8347 H   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
695218  

> <STRCTYPE>
K   

$$$$
697443
          1016 111283D                        697443      
                                                                        
 56 58        1                 1 V2000
    6.3989   12.7355    3.3628 C   0  0  0  0  0  0  0  0  0
    4.8814   12.9152    3.2507 C   0  0  1  0  0  0  0  0  0
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M  END
> <NSC>
697443  

> <STRCTYPE>
K   

$$$$
697569
          1016 111283D                        697569      
                                                                        
 31 33        0                 1 V2000
    4.4446   -0.2953   -7.6657 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
697569  

> <STRCTYPE>
K   

$$$$
697726
          1016 111283D                        697726      
                                                                        
 31 33        0                 1 V2000
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 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
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 15 17  1  0  0  0  0
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 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
> <NSC>
697726  

> <STRCTYPE>
K   

$$$$
697855
          1016 111283D                        697855      
                                                                        
 30 31        0                 2 V2000
    1.1123    2.5741    2.7522 S   0  0  0  0  0  0  0  0  0
   -0.5547    2.8427    2.9600 C   0  0  0  0  0  0  0  0  0
   -0.9948    3.9172    2.2115 C   0  0  0  0  0  0  0  0  0
   -0.0182    4.4963    1.4819 N   0  0  0  0  0  0  0  0  0
    1.1753    3.8978    1.6664 C   0  0  0  0  0  0  0  0  0
    7.1085    4.3217    0.1090 C   0  0  0  0  0  0  0  0  0
    6.0112    4.0015    0.8974 C   0  0  0  0  0  0  0  0  0
    4.7197    4.2091    0.4157 C   0  0  0  0  0  0  0  0  0
    4.5462    4.7382   -0.8601 C   0  0  0  0  0  0  0  0  0
    5.6450    5.0617   -1.6452 C   0  0  0  0  0  0  0  0  0
    6.9290    4.8538   -1.1607 C   0  0  0  0  0  0  0  0  0
    3.5261    3.8588    1.2716 C   0  0  0  0  0  0  0  0  0
    3.6632    3.1203    2.2171 O   0  0  0  0  0  0  0  0  0
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   -1.3830    2.1207    3.7477 N   0  3  0  0  0  0  0  0  0
   -0.9650    1.1354    4.3937 O   0  0  0  0  0  0  0  0  0
   -2.7826    2.5256    3.8217 O   0  5  0  0  0  0  0  0  0
    6.2443    3.4869    2.1348 O   0  0  0  0  0  0  0  0  0
    5.8366    4.3149    3.1346 C   0  0  0  0  0  0  0  0  0
    5.5293    5.4624    2.9112 O   0  0  0  0  0  0  0  0  0
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   -1.9953    4.2407    2.2190 H   0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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 19 21  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
> <NSC>
697855  

> <STRCTYPE>
K   

$$$$
697875
          1016 111283D                        697875      
                                                                        
 37 38        1                 1 V2000
    1.7034    5.8170   -1.5156 C   0  0  0  0  0  0  0  0  0
    0.9511    6.1334   -0.4035 C   0  0  0  0  0  0  0  0  0
    0.0627    4.9947    0.0173 C   0  0  0  0  0  0  0  0  0
    0.6003    3.7781   -0.7755 C   0  0  1  0  0  0  0  0  0
    1.3891    4.4138   -1.8882 C   0  0  0  0  0  0  0  0  0
    2.5756    6.7252   -2.0970 C   0  0  0  0  0  0  0  0  0
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    1.9521    8.3018   -0.3735 C   0  0  0  0  0  0  0  0  0
    1.0701    7.3831    0.1870 C   0  0  0  0  0  0  0  0  0
    1.7262    3.8767   -2.9162 O   0  0  0  0  0  0  0  0  0
    1.6058    2.9814    0.0759 C   0  0  0  0  0  0  0  0  0
   -0.5267    2.9224   -1.2899 C   0  0  0  0  0  0  0  0  0
   -0.7066    1.8184   -0.8306 O   0  0  0  0  0  0  0  0  0
   -1.3421    3.4021   -2.2690 O   0  0  0  0  0  0  0  0  0
   -2.2000    2.4334   -2.8417 C   0  0  0  0  0  0  0  0  0
   -2.9525    3.1234   -3.9743 C   0  0  0  0  0  0  0  0  0
    2.6893    3.8918    0.5960 C   0  0  0  0  0  0  0  0  0
    3.8106    4.0971   -0.1087 C   0  0  0  0  0  0  0  0  0
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    2.0576    9.2515    0.0621 H   0  0  0  0  0  0  0  0  0
    0.5067    7.6299    1.0386 H   0  0  0  0  0  0  0  0  0
    1.0912    2.5367    0.9154 H   0  0  0  0  0  0  0  0  0
    2.0428    2.1854   -0.5121 H   0  0  0  0  0  0  0  0  0
   -1.6441    1.5972   -3.2468 H   0  0  0  0  0  0  0  0  0
   -2.9090    2.0680   -2.1111 H   0  0  0  0  0  0  0  0  0
   -2.2467    3.4766   -4.7122 H   0  0  0  0  0  0  0  0  0
   -3.6419    2.4341   -4.4398 H   0  0  0  0  0  0  0  0  0
   -3.4998    3.9655   -3.5770 H   0  0  0  0  0  0  0  0  0
    2.5506    4.3766    1.5183 H   0  0  0  0  0  0  0  0  0
    3.9608    3.5910   -1.0183 H   0  0  0  0  0  0  0  0  0
    4.3996    5.8866    0.8721 H   0  0  0  0  0  0  0  0  0
    5.5124    4.5271    1.0687 H   0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
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  3 21  1  0  0  0  0
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  4 12  1  6  0  0  0
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  9 26  1  0  0  0  0
 11 17  1  0  0  0  0
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 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
> <NSC>
697875  

> <STRCTYPE>
K   

$$$$
697923
          1016 111283D                        697923      
                                                                        
 27 28        0                 2 V2000
   -3.3858   -0.4344    1.8736 O   0  0  0  0  0  0  0  0  0
   -5.1721   -1.6243    1.0428 C   0  0  0  0  0  0  0  0  0
   -4.1058   -1.8434    0.1999 C   0  0  0  0  0  0  0  0  0
   -1.4265   -1.0680   -0.0037 S   0  0  0  0  0  0  0  0  0
   -0.8950   -2.3937   -0.0762 O   0  0  0  0  0  0  0  0  0
   -1.5093   -0.5037   -1.3150 O   0  0  0  0  0  0  0  0  0
   -3.0514   -1.1191    0.7232 C   0  0  0  0  0  0  0  0  0
   -0.4067   -0.0494    1.0427 C   0  0  0  0  0  0  0  0  0
   -0.3920    1.3284    0.8689 C   0  0  0  0  0  0  0  0  0
    0.4063    2.1226    1.6818 C   0  0  0  0  0  0  0  0  0
    1.1942    1.5423    2.6692 C   0  0  0  0  0  0  0  0  0
    1.1703    0.1636    2.8467 C   0  0  0  0  0  0  0  0  0
    0.3723   -0.6314    2.0343 C   0  0  0  0  0  0  0  0  0
   -4.7121   -0.7794    2.0334 C   0  0  0  0  0  0  0  0  0
   -5.5031   -0.3503    3.0444 N   0  3  0  0  0  0  0  0  0
   -5.0456    0.4142    3.9211 O   0  0  0  0  0  0  0  0  0
   -6.8943   -0.7959    3.0902 O   0  5  0  0  0  0  0  0  0
    2.0664    2.4006    3.5407 C   0  0  0  0  0  0  0  0  0
   -6.1439   -2.0145    0.9606 H   0  0  0  0  0  0  0  0  0
   -4.0930   -2.4391   -0.6653 H   0  0  0  0  0  0  0  0  0
   -0.9838    1.7696    0.1214 H   0  0  0  0  0  0  0  0  0
    0.4129    3.1646    1.5463 H   0  0  0  0  0  0  0  0  0
    1.7572   -0.2820    3.5958 H   0  0  0  0  0  0  0  0  0
    0.3587   -1.6733    2.1687 H   0  0  0  0  0  0  0  0  0
    1.5072    2.7013    4.4149 H   0  0  0  0  0  0  0  0  0
    2.9424    1.8504    3.8527 H   0  0  0  0  0  0  0  0  0
    2.3831    3.2823    3.0024 H   0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
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 13 24  1  0  0  0  0
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 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
> <NSC>
697923  

> <STRCTYPE>
K   

$$$$
698031
          1016 111283D                        698031      
                                                                        
 55 58        0                 1 V2000
   -1.0531    1.5478   -3.2503 C   0  0  0  0  0  0  0  0  0
   -1.9337    1.6055   -2.2242 N   0  0  0  0  0  0  0  0  0
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  -10.0568   -0.1339   -1.1987 C   0  0  0  0  0  0  0  0  0
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M  END
> <NSC>
698031  

> <STRCTYPE>
K   

$$$$
698573
          1016 111283D                        698573      
                                                                        
 29 32        0                 1 V2000
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M  END
> <NSC>
698573  

> <STRCTYPE>
K   

$$$$
699479
          1016 111283D                        699479      
                                                                        
 53 57        0                 2 V2000
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M  CHG  1   9   1
M  END
> <NSC>
699479  

> <STRCTYPE>
K   

$$$$
700323
          1016 111283D                        700323      
                                                                        
 93 96        0                 1 V2000
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M  END
> <NSC>
700323  

> <STRCTYPE>
K   

$$$$
700582
          1016 111283D                        700582      
                                                                        
 68 70        0                 1 V2000
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M  END
> <NSC>
700582  

> <STRCTYPE>
K   

$$$$
