MBE
  CCTOOLS-0919241034

 36 37  0  0  1  0  0  0  0  0999 V2000
    1.1140    0.8240   -0.3530 C   0  0  0  0  0
    2.4340    1.5940   -0.2720 C   0  0  0  0  0
    3.5700    0.7010   -0.7800 C   0  0  0  0  0
    3.5980   -0.5890    0.0470 C   0  0  0  0  0
    2.2330   -1.2750   -0.0460 C   0  0  0  0  0
    2.2340   -2.5330    0.8250 C   0  0  0  0  0
   -1.2030    1.1340    0.0790 C   0  0  0  0  0
   -2.2760    1.8650    0.5680 C   0  0  0  0  0
   -3.5570    1.3570    0.4730 C   0  0  0  0  0
   -3.7710    0.1210   -0.1090 C   0  0  0  0  0
   -2.7030   -0.6100   -0.5970 C   0  0  0  0  0
   -1.4210   -0.1040   -0.5090 C   0  0  0  0  0
   -5.1440   -0.4240   -0.2040 N   0  3  0  0  0
    0.0580    1.6310    0.1720 O   0  0  0  0  0
    2.6880    1.9660    1.0840 O   0  0  0  0  0
    4.8160    1.3860   -0.6400 O   0  0  0  0  0
    4.6080   -1.4620   -0.4650 O   0  0  0  0  0
    1.2190   -0.3790    0.4120 O   0  0  0  0  0
    1.0030   -3.2360    0.6490 O   0  0  0  0  0
   -5.3320   -1.5150   -0.7110 O   0  5  0  0  0
   -6.0850    0.2190    0.2260 O   0  0  0  0  0
    0.9000    0.5760   -1.3920 H   0  0  0  0  0
    2.3710    2.4910   -0.8900 H   0  0  0  0  0
    3.4020    0.4580   -1.8290 H   0  0  0  0  0
    3.8170   -0.3500    1.0870 H   0  0  0  0  0
    2.0340   -1.5510   -1.0820 H   0  0  0  0  0
    3.0650   -3.1760    0.5340 H   0  0  0  0  0
    2.3440   -2.2500    1.8720 H   0  0  0  0  0
   -2.1100    2.8300    1.0230 H   0  0  0  0  0
   -4.3930    1.9260    0.8530 H   0  0  0  0  0
   -2.8720   -1.5750   -1.0500 H   0  0  0  0  0
   -0.5870   -0.6750   -0.8910 H   0  0  0  0  0
    2.0050    2.5300    1.4720 H   0  0  0  0  0
    4.8660    2.2160   -1.1320 H   0  0  0  0  0
    5.4990   -1.0880   -0.4410 H   0  0  0  0  0
    0.9330   -4.0460    1.1720 H   0  0  0  0  0
  1 18  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  3 24  1  0  0  0
  4 17  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5  4  1  0  0  0
  5 26  1  0  0  0
  6 19  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 14  1  0  0  0
  8  7  1  0  0  0
  8 29  1  0  0  0
  9  8  2  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10  9  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12  7  2  0  0  0
 12 32  1  0  0  0
 13 10  1  0  0  0
 14  1  1  0  0  0
 15 33  1  0  0  0
 16 34  1  0  0  0
 17 35  1  0  0  0
 18  5  1  0  0  0
 19 36  1  0  0  0
 20 13  1  0  0  0
 21 13  2  0  0  0
M  CHG  1  13   1
M  CHG  1  20  -1
M  END
$$$$