A1JKH
  CCTOOLS-0731261038

 41 44  0  0  0  0  0  0  0  0999 V2000
   -2.8930   -2.0400    0.0030 O   0  0  0  0  0
   -2.4690   -0.9010    0.0060 C   0  0  0  0  0
   -1.1400   -0.6770    0.0050 N   0  0  0  0  0
   -0.2060   -1.8060    0.0000 C   0  0  0  0  0
    1.2090   -1.2870    0.0000 C   0  0  0  0  0
    1.8570   -1.0540    1.1990 C   0  0  0  0  0
    3.1530   -0.5790    1.2050 C   0  0  0  0  0
    3.8090   -0.3360   -0.0010 C   0  0  0  0  0
    5.2020    0.1730   -0.0010 C   0  0  0  0  0
    5.8580    0.4160   -1.2070 C   0  0  0  0  0
    7.1540    0.8910   -1.2010 C   0  0  0  0  0
    7.8020    1.1250   -0.0020 C   0  0  0  0  0
    7.1560    0.8850    1.1980 C   0  0  0  0  0
    5.8590    0.4160    1.2040 C   0  0  0  0  0
    3.1510   -0.5730   -1.2060 C   0  0  0  0  0
    1.8560   -1.0530   -1.2000 C   0  0  0  0  0
   -3.4130    0.2400    0.0040 C   0  0  0  0  0
   -4.8000    0.0280   -0.0010 C   0  0  0  0  0
   -5.6570    1.1550   -0.0020 C   0  0  0  0  0
   -6.9410    0.6800   -0.0070 N   0  0  0  0  0
   -6.9360   -0.6880   -0.0090 C   0  0  0  0  0
   -5.6690   -1.1420   -0.0050 C   0  0  0  0  0
   -5.1130    2.3640    0.0010 N   0  0  0  0  0
   -3.8040    2.5130    0.0050 C   0  0  0  0  0
   -2.9680    1.4950    0.0120 N   0  0  0  0  0
   -0.8020    0.2320    0.0070 H   0  0  0  0  0
   -0.3700   -2.4150    0.8890 H   0  0  0  0  0
   -0.3720   -2.4110   -0.8910 H   0  0  0  0  0
    1.3480   -1.2420    2.1330 H   0  0  0  0  0
    3.6590   -0.3970    2.1410 H   0  0  0  0  0
    5.3520    0.2340   -2.1440 H   0  0  0  0  0
    7.6630    1.0790   -2.1350 H   0  0  0  0  0
    8.8160    1.4950   -0.0020 H   0  0  0  0  0
    7.6680    1.0690    2.1310 H   0  0  0  0  0
    5.3550    0.2290    2.1410 H   0  0  0  0  0
    3.6540   -0.3860   -2.1430 H   0  0  0  0  0
    1.3450   -1.2370   -2.1330 H   0  0  0  0  0
   -7.7380    1.2330   -0.0090 H   0  0  0  0  0
   -7.8170   -1.3120   -0.0120 H   0  0  0  0  0
   -5.3560   -2.1760   -0.0050 H   0  0  0  0  0
   -3.3990    3.5150    0.0080 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14  9  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16  5  1  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 18  1  0  0  0
 22 40  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 41  1  0  0  0
 25 17  2  0  0  0
M  END
$$$$
