A1H42
  CCTOOLS-0410261002

 41 43  0  0  0  0  0  0  0  0999 V2000
   -1.5690    0.8280    0.0010 C   0  0  0  0  0
   -3.3980   -1.2580    0.0030 C   0  0  0  0  0
   -5.3120    0.3540   -0.0010 C   0  0  0  0  0
   -5.6690    1.1670   -1.2470 C   0  0  0  0  0
   -6.0980   -0.9590   -0.0070 C   0  0  0  0  0
    4.3830   -1.5140   -0.0010 C   0  0  0  0  0
    5.2390   -0.4340   -0.0010 C   0  0  0  0  0
    4.7410    0.8630   -0.0010 C   0  0  0  0  0
    3.3950    1.0990   -0.0010 C   0  0  0  0  0
    2.5010    0.0240   -0.0000 C   0  0  0  0  0
    3.0070   -1.2960   -0.0000 C   0  0  0  0  0
    2.0450   -2.4080    0.0000 C   0  0  0  0  0
    0.3280   -0.7870   -0.0000 C   0  0  0  0  0
   -1.1210   -0.4940    0.0010 C   0  0  0  0  0
   -2.0470   -1.5380    0.0020 C   0  0  0  0  0
   -2.9220    1.0950    0.0020 C   0  0  0  0  0
   -3.8350    0.0550   -0.0030 C   0  0  0  0  0
   -5.6690    1.1560    1.2520 C   0  0  0  0  0
    1.1670    0.2170   -0.0000 N   0  0  0  0  0
    0.7280   -2.0950   -0.0000 N   0  0  0  0  0
    2.8850    2.4880    0.0000 N   0  3  0  0  0
    2.4190   -3.5670    0.0000 O   0  0  0  0  0
    3.6650    3.4240    0.0010 O   0  0  0  0  0
    1.6850    2.6970    0.0000 O   0  5  0  0  0
   -0.8570    1.6400    0.0040 H   0  0  0  0  0
   -4.1160   -2.0650    0.0030 H   0  0  0  0  0
   -5.1100    2.1020   -1.2430 H   0  0  0  0  0
   -5.4150    0.5950   -2.1390 H   0  0  0  0  0
   -6.7380    1.3830   -1.2460 H   0  0  0  0  0
   -5.8440   -1.5310   -0.8990 H   0  0  0  0  0
   -5.8440   -1.5390    0.8810 H   0  0  0  0  0
   -7.1670   -0.7430   -0.0050 H   0  0  0  0  0
    4.7760   -2.5200   -0.0050 H   0  0  0  0  0
    6.3070   -0.5970   -0.0020 H   0  0  0  0  0
    5.4270    1.6960   -0.0010 H   0  0  0  0  0
   -1.7070   -2.5630    0.0020 H   0  0  0  0  0
   -3.2700    2.1170    0.0060 H   0  0  0  0  0
   -6.7370    1.3720    1.2530 H   0  0  0  0  0
   -5.4150    0.5770    2.1390 H   0  0  0  0  0
   -5.1090    2.0920    1.2560 H   0  0  0  0  0
    0.0650   -2.8020    0.0000 H   0  0  0  0  0
  1 16  2  0  0  0
  1 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
 10 11  2  0  0  0
 10 19  1  0  0  0
 12 20  1  0  0  0
 12 11  1  0  0  0
 12 22  2  0  0  0
 13 20  1  0  0  0
 13 14  1  0  0  0
 14  1  1  0  0  0
 15  2  1  0  0  0
 15 14  2  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17  2  2  0  0  0
 17  3  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 13  2  0  0  0
 20 41  1  0  0  0
 21 23  2  0  0  0
 21 24  1  0  0  0
M  CHG  1  21   1
M  CHG  1  24  -1
M  END
$$$$
