File: model_ligand-1.sdf

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LIG
       OST02122508393D                            

 72 77  0  0  0  0            999 V2000
   34.2410  -11.9470    9.1080 O   0  0  0  0  0  0
   33.9430  -10.7380    9.5310 C   0  0  0  0  0  0
   34.7350  -10.3020   10.6450 C   0  0  0  0  0  0
   34.4700  -10.8250   11.9070 C   0  0  0  0  0  0
   35.1420  -10.4010   13.0060 C   0  0  0  0  0  0
   36.1110   -9.4390   12.9330 C   0  0  0  0  0  0
   36.4000   -8.8970   11.7040 C   0  0  0  0  0  0
   35.7070   -9.3350   10.5780 C   0  0  0  0  0  0
   32.9290  -10.1370    8.8170 N   0  0  0  0  0  0
   32.7500  -10.4970    7.3810 C   0  0  0  0  0  0
   33.2450   -9.4080    6.5240 C   0  0  0  0  0  0
   32.3360   -8.5890    5.8690 C   0  0  0  0  0  0
   32.7920   -7.5950    5.0520 C   0  0  0  0  0  0
   34.1700   -7.3540    4.8330 C   0  0  0  0  0  0
   34.5390   -6.3850    4.0370 O   0  0  0  0  0  0
   34.8610   -5.7980    2.9160 C   0  0  0  0  0  0
   33.7520   -5.4490    1.9530 C   0  0  0  0  0  0
   32.4030   -5.4950    2.5250 C   0  0  0  0  0  0
   31.7200   -4.4400    2.0470 C   0  0  0  0  0  0
   32.4970   -3.6670    1.1830 N   0  3  0  0  0  0
   32.2350   -2.2530    1.3810 C   0  0  0  0  0  0
   31.8980   -1.5530    0.1070 C   0  0  0  0  0  0
   33.0490   -0.8730   -0.5560 C   0  0  0  0  0  0
   34.1510   -1.7300   -0.4330 F   0  0  0  0  0  0
   33.8570   -4.0210    1.4710 C   0  0  0  0  0  0
   35.0410   -8.1850    5.4990 C   0  0  0  0  0  0
   34.5780   -9.1800    6.3180 C   0  0  0  0  0  0
   31.3290  -10.8230    7.2630 C   0  0  0  0  0  0
   30.8900  -11.4980    6.1170 C   0  0  0  0  0  0
   29.5700  -11.8510    5.9330 C   0  0  0  0  0  0
   28.6260  -11.5470    6.8850 C   0  0  0  0  0  0
   27.2950  -11.9020    6.7030 O   0  0  0  0  0  0
   29.0350  -10.8880    8.0110 C   0  0  0  0  0  0
   30.3740  -10.5280    8.2020 C   0  0  0  0  0  0
   30.6340   -9.8180    9.5020 C   0  0  0  0  0  0
   32.0050   -9.1660    9.3040 C   0  0  0  0  0  0
   31.9000   -7.8280    8.6500 C   0  0  0  0  0  0
   32.3280   -7.9750   10.0890 C   0  0  0  0  0  0
   33.6974  -11.6004   12.0157 H   0  0  0  0  0  0
   34.9007  -10.8435   13.9838 H   0  0  0  0  0  0
   36.6456   -9.1074   13.8354 H   0  0  0  0  0  0
   37.1744   -8.1215   11.6098 H   0  0  0  0  0  0
   35.9470   -8.8905    9.6009 H   0  0  0  0  0  0
   33.3373  -11.3619    7.0390 H   0  0  0  0  0  0
   31.2552   -8.7398    6.0073 H   0  0  0  0  0  0
   32.0577   -6.9540    4.5421 H   0  0  0  0  0  0
   35.3766   -4.8612    3.1740 H   0  0  0  0  0  0
   35.4651   -6.5445    2.3794 H   0  0  0  0  0  0
   33.8809   -6.2067    1.1660 H   0  0  0  0  0  0
   32.0186   -6.2558    3.2203 H   0  0  0  0  0  0
   30.6751   -4.2136    2.3057 H   0  0  0  0  0  0
   32.2830   -3.9690    0.2050 H   0  0  0  0  0  0
   31.3908   -2.1443    2.0778 H   0  0  0  0  0  0
   33.1509   -1.7953    1.7830 H   0  0  0  0  0  0
   31.4892   -2.2957   -0.5939 H   0  0  0  0  0  0
   31.1796   -0.7621    0.3685 H   0  0  0  0  0  0
   32.8236   -0.6959   -1.6180 H   0  0  0  0  0  0
   33.2533    0.1021   -0.0897 H   0  0  0  0  0  0
   34.4807   -3.9554    0.5673 H   0  0  0  0  0  0
   34.3283   -3.3528    2.2067 H   0  0  0  0  0  0
   36.1250   -8.0482    5.3718 H   0  0  0  0  0  0
   35.3083   -9.8226    6.8316 H   0  0  0  0  0  0
   31.6227  -11.7550    5.3379 H   0  0  0  0  0  0
   29.2697  -12.3804    5.0167 H   0  0  0  0  0  0
   26.9440  -12.2260    5.8090 H   0  0  0  0  0  0
   28.2948  -10.6350    8.7844 H   0  0  0  0  0  0
   29.8633   -9.0565    9.6919 H   0  0  0  0  0  0
   30.6109  -10.4980   10.3663 H   0  0  0  0  0  0
   32.6285   -7.5270    7.8827 H   0  0  0  0  0  0
   31.1161   -7.2726    8.1143 H   0  0  0  0  0  0
   33.3705   -7.7721   10.3753 H   0  0  0  0  0  0
   31.9828   -7.5602   11.0475 H   0  0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  5  6  2  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  7  8  2  0  0  0
  7 42  1  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 10 44  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
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 13 14  2  0  0  0
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 14 15  1  0  0  0
 14 26  1  0  0  0
 15 16  1  0  0  0
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 17 18  1  0  0  0
 17 25  1  0  0  0
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 38 72  1  0  0  0
M  END
$$$$