A1I71
  CCTOOLS-0410261002

 40 43  0  0  0  0  0  0  0  0999 V2000
   -0.6900   -1.7180   -0.0970 C   0  0  0  0  0
   -2.2220    0.1360    0.0770 C   0  0  0  0  0
   -1.3950    2.2230    0.6120 C   0  0  0  0  0
   -2.6680    2.7570    0.6660 C   0  0  0  0  0
   -3.7600    1.9380    0.4080 C   0  0  0  0  0
   -3.5310    0.6070    0.1090 C   0  0  0  0  0
    0.3910   -0.8620   -0.1620 C   0  0  0  0  0
    1.6790   -1.3970   -0.0280 C   0  0  0  0  0
    2.8380   -0.5900   -0.0820 C   0  0  0  0  0
    4.0800   -1.1840    0.0580 C   0  0  0  0  0
    4.1940   -2.5560    0.2500 C   0  0  0  0  0
    3.0920   -3.3560    0.3050 C   0  0  0  0  0
    1.8120   -2.7970    0.1680 C   0  0  0  0  0
    0.6500   -3.5840    0.2200 C   0  0  0  0  0
   -0.5300   -3.0260    0.0880 N   0  0  0  0  0
   -1.9780   -1.2000   -0.2230 N   0  0  0  0  0
   -1.2070    0.9500    0.3240 N   0  0  0  0  0
   -4.6630   -0.3040   -0.1730 N   0  3  0  0  0
   -4.4670   -1.5000   -0.2950 O   0  0  0  0  0
   -5.7910    0.1420   -0.2830 O   0  5  0  0  0
   -0.5430    2.8570    0.8070 H   0  0  0  0  0
   -2.8130    3.8000    0.9020 H   0  0  0  0  0
   -4.7650    2.3310    0.4440 H   0  0  0  0  0
    0.2470    0.1980   -0.3130 H   0  0  0  0  0
    4.9710   -0.5740    0.0180 H   0  0  0  0  0
    5.1740   -2.9970    0.3560 H   0  0  0  0  0
    0.7280   -4.6510    0.3680 H   0  0  0  0  0
   -2.7030   -1.7720   -0.5190 H   0  0  0  0  0
    2.7240    0.8740   -0.2860 C   0  0  0  0  0
    1.9730    1.5190   -1.2890 C   0  0  0  0  0
    2.1230    2.8090   -1.1420 N   0  0  0  0  0
    2.9680    3.0370   -0.0490 N   0  0  0  0  0
    3.3220    1.8430    0.4670 C   0  0  0  0  0
    3.3890    4.3480    0.4510 C   0  0  0  0  0
    3.2040   -4.4200    0.4550 H   0  0  0  0  0
    1.3780    1.0320   -2.0480 H   0  0  0  0  0
    3.9680    1.6820    1.3180 H   0  0  0  0  0
    2.6790    4.6970    1.2000 H   0  0  0  0  0
    4.3790    4.2650    0.9000 H   0  0  0  0  0
    3.4240    5.0580   -0.3760 H   0  0  0  0  0
  1 15  1  0  0  0
  2 16  1  0  0  0
  3 17  2  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4  3  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  6 18  1  0  0  0
  6  2  2  0  0  0
  7  1  2  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  8 13  1  0  0  0
  9  8  2  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 12  2  0  0  0
 14 27  1  0  0  0
 15 14  2  0  0  0
 16  1  1  0  0  0
 16 28  1  0  0  0
 17  2  1  0  0  0
 18 20  1  0  0  0
 19 18  2  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 36  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32 34  1  0  0  0
 33 29  2  0  0  0
 33 37  1  0  0  0
 34 38  1  0  0  0
 34 39  1  0  0  0
 34 40  1  0  0  0
M  CHG  1  18   1
M  CHG  1  20  -1
M  END
$$$$
