A1JSZ
  CCTOOLS-0821261018

 42 45  0  0  1  0  0  0  0  0999 V2000
    0.1360    2.7450    0.2430 C   0  0  0  0  0
    0.3490    3.0900   -1.2320 C   0  0  0  0  0
   -3.7050   -0.6680   -0.9140 C   0  0  0  0  0
   -3.1830    0.5070   -1.7420 C   0  0  0  0  0
   -0.9940    3.6060    0.8110 C   0  0  0  0  0
    2.8990   -1.6550   -1.1640 C   0  0  0  0  0
   -1.3650    0.7780   -0.0930 C   0  0  0  0  0
   -2.4680    1.5140   -0.8340 C   0  0  0  0  0
   -2.5550   -1.3420   -0.2020 C   0  0  0  0  0
   -0.2190    1.3290    0.3680 N   0  0  0  0  0
   -1.4520   -0.5540    0.1680 C   0  0  0  0  0
    0.6120   -1.9050    0.0060 C   0  0  0  0  0
   -0.2080   -0.9930    0.8910 C   0  0  0  0  0
    1.8380   -1.2020   -0.3600 C   0  0  0  0  0
    3.9570   -0.7840   -1.3580 C   0  0  0  0  0
    3.9770    0.4750   -0.7900 C   0  0  0  0  0
    2.9350    0.9360    0.0060 C   0  0  0  0  0
    1.8670    0.0810    0.2110 C   0  0  0  0  0
    0.6200    0.3090    1.0100 C   0  0  0  0  0
   -2.5830   -2.5320    0.0440 O   0  0  0  0  0
   -0.4970   -1.5870    2.1580 O   0  0  0  0  0
    0.3050   -3.0260   -0.3390 O   0  0  0  0  0
    0.9010    0.6370    2.3720 O   0  0  0  0  0
    1.0550    2.9400    0.7980 H   0  0  0  0  0
    0.5090    4.1630   -1.3350 H   0  0  0  0  0
    1.2200    2.5540   -1.6080 H   0  0  0  0  0
   -0.5320    2.7970   -1.8040 H   0  0  0  0  0
   -4.4230   -0.3030   -0.1790 H   0  0  0  0  0
   -4.1950   -1.3860   -1.5720 H   0  0  0  0  0
   -2.4850    0.1380   -2.4930 H   0  0  0  0  0
   -4.0190    0.9990   -2.2390 H   0  0  0  0  0
   -1.9120    3.4120    0.2560 H   0  0  0  0  0
   -1.1450    3.3610    1.8620 H   0  0  0  0  0
   -0.7300    4.6600    0.7180 H   0  0  0  0  0
    2.8890   -2.6380   -1.6100 H   0  0  0  0  0
   -2.0360    2.3120   -1.4380 H   0  0  0  0  0
   -3.1760    1.9340   -0.1200 H   0  0  0  0  0
    4.7900   -1.0970   -1.9700 H   0  0  0  0  0
    4.8250    1.1180   -0.9690 H   0  0  0  0  0
    2.9580    1.9220    0.4460 H   0  0  0  0  0
   -1.0450   -2.3820    2.1040 H   0  0  0  0  0
    1.3830    1.4670    2.4860 H   0  0  0  0  0
  1  5  1  0  0  0
  1 24  1  0  0  0
  2  1  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  8  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 14  1  0  0  0
  6 35  1  0  0  0
  7 11  2  0  0  0
  7 10  1  0  0  0
  8  7  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 20  2  0  0  0
  9 11  1  0  0  0
 10  1  1  0  0  0
 10 19  1  0  0  0
 11 13  1  0  0  0
 12 13  1  0  0  0
 13 19  1  0  0  0
 13 21  1  0  0  0
 14 12  1  0  0  0
 14 18  2  0  0  0
 15  6  2  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 19 23  1  0  0  0
 21 41  1  0  0  0
 22 12  2  0  0  0
 23 42  1  0  0  0
M  END
$$$$
