A1C4J
  CCTOOLS-0508261013

 47 50  0  0  0  0  0  0  0  0999 V2000
    5.4370    3.0670   -0.0050 C   0  0  0  0  0
    7.0820    1.1530   -0.0000 C   0  0  0  0  0
    4.9950    0.5820   -0.0000 C   0  0  0  0  0
    3.4880    0.6180   -0.0000 C   0  0  0  0  0
    2.9610   -0.0890    1.2510 C   0  0  0  0  0
    0.9210   -0.5700    0.0010 N   0  0  0  0  0
    1.4310   -0.0230   -1.2640 C   0  0  0  0  0
    2.9610   -0.0920   -1.2490 C   0  0  0  0  0
   -0.0820   -2.4450    1.2530 O   0  0  0  0  0
   -1.7940   -1.0180    0.0020 C   0  0  0  0  0
   -2.4140   -0.7120    1.1990 C   0  0  0  0  0
   -3.6580   -0.1120    1.2020 C   0  0  0  0  0
   -4.2870    0.1830   -0.0000 C   0  0  0  0  0
   -2.4160   -0.7200   -1.1970 C   0  0  0  0  0
   -5.5500    0.7920   -0.0010 N   0  0  0  0  0
   -6.2620    1.1500    1.1080 C   0  0  0  0  0
   -7.4220    1.7040    0.7020 C   0  0  0  0  0
    5.8230    1.6540   -0.0020 N   0  0  0  0  0
    6.9830   -0.1480   -0.0030 N   0  0  0  0  0
    5.7430   -0.4870   -0.0010 N   0  0  0  0  0
    1.4310   -0.0200    1.2650 C   0  0  0  0  0
   -0.2070   -1.7830    0.0030 S   0  0  0  0  0
   -0.0810   -2.4490   -1.2460 O   0  0  0  0  0
   -3.6620   -0.1250   -1.2010 C   0  0  0  0  0
   -7.4280    1.6900   -0.7070 C   0  0  0  0  0
   -6.2690    1.1320   -1.1110 C   0  0  0  0  0
    5.3400    3.4190    1.0220 H   0  0  0  0  0
    6.1990    3.6510   -0.5200 H   0  0  0  0  0
    4.4820    3.1810   -0.5190 H   0  0  0  0  0
    7.9980    1.7250   -0.0010 H   0  0  0  0  0
    3.1490    1.6540   -0.0020 H   0  0  0  0  0
    3.2780   -1.1320    1.2400 H   0  0  0  0  0
    3.3560    0.4030    2.1400 H   0  0  0  0  0
    1.0460   -0.6110   -2.0970 H   0  0  0  0  0
    1.1120    1.0140   -1.3680 H   0  0  0  0  0
    3.3550    0.3980   -2.1400 H   0  0  0  0  0
    3.2780   -1.1350   -1.2360 H   0  0  0  0  0
   -1.9240   -0.9420    2.1340 H   0  0  0  0  0
   -4.1410    0.1260    2.1380 H   0  0  0  0  0
   -1.9280   -0.9570   -2.1310 H   0  0  0  0  0
   -5.9500    1.0120    2.1320 H   0  0  0  0  0
   -8.2040    2.0890    1.3400 H   0  0  0  0  0
    1.0460   -0.6060    2.1000 H   0  0  0  0  0
    1.1120    1.0170    1.3670 H   0  0  0  0  0
   -4.1490    0.1030   -2.1380 H   0  0  0  0  0
   -8.2150    2.0610   -1.3470 H   0  0  0  0  0
   -5.9630    0.9780   -2.1360 H   0  0  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 30  1  0  0  0
  3 18  1  0  0  0
  4  3  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6 22  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7  6  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  4  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
 10 22  1  0  0  0
 10 14  2  0  0  0
 11 10  1  0  0  0
 11 38  1  0  0  0
 12 11  2  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 24  2  0  0  0
 14 40  1  0  0  0
 15 13  1  0  0  0
 15 26  1  0  0  0
 16 15  1  0  0  0
 16 41  1  0  0  0
 17 16  2  0  0  0
 17 25  1  0  0  0
 17 42  1  0  0  0
 18  2  1  0  0  0
 18  1  1  0  0  0
 19  2  2  0  0  0
 20  3  2  0  0  0
 20 19  1  0  0  0
 21  5  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22  9  2  0  0  0
 23 22  2  0  0  0
 24 14  1  0  0  0
 24 45  1  0  0  0
 25 26  2  0  0  0
 25 46  1  0  0  0
 26 47  1  0  0  0
M  END
$$$$
