VNB
  CCTOOLS-0919241045

 31 31  0  0  1  0  0  0  0  0999 V2000
    3.7090    1.1530   -0.7560 C   0  0  0  0  0
   -1.4800    0.6230   -0.5210 C   0  0  0  0  0
   -1.8080   -0.8910   -0.4770 C   0  0  0  0  0
   -0.3980   -1.5210   -0.6250 C   0  0  0  0  0
    0.5040   -0.5410    0.1540 C   0  0  0  0  0
   -2.5760    1.4260    0.1810 C   0  0  0  0  0
    1.8420   -0.3770   -0.5720 C   0  0  0  0  0
    3.2270    0.0790    1.3600 C   0  0  0  0  0
   -0.2000    0.7530    0.2070 N   0  0  0  0  0
    2.6560    0.6280    0.1230 N   0  0  0  0  0
   -2.4010   -1.2490    0.7730 O   0  0  0  0  0
   -0.3620   -2.8210   -0.0320 O   0  0  0  0  0
   -2.3150    2.8230    0.0280 O   0  0  0  0  0
    3.2600    1.5400   -1.6710 H   0  0  0  0  0
    4.2430    1.9540   -0.2460 H   0  0  0  0  0
    4.4060    0.3520   -1.0050 H   0  0  0  0  0
   -1.3650    0.9560   -1.5530 H   0  0  0  0  0
   -2.4520   -1.1750   -1.3090 H   0  0  0  0  0
   -0.1040   -1.5660   -1.6730 H   0  0  0  0  0
    0.6740   -0.9160    1.1630 H   0  0  0  0  0
   -3.5430    1.1870   -0.2620 H   0  0  0  0  0
   -2.5900    1.1730    1.2410 H   0  0  0  0  0
    2.3700   -1.3300   -0.5800 H   0  0  0  0  0
    1.6610   -0.0530   -1.5970 H   0  0  0  0  0
    3.8590   -0.7760    1.1200 H   0  0  0  0  0
    3.8250    0.8450    1.8550 H   0  0  0  0  0
    2.4220   -0.2380    2.0230 H   0  0  0  0  0
    0.3670    1.4890   -0.1870 H   0  0  0  0  0
   -2.6240   -2.1870    0.8480 H   0  0  0  0  0
   -0.9700   -3.4550   -0.4370 H   0  0  0  0  0
   -2.9720    3.3940    0.4490 H   0  0  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 12  1  0  0  0
  4 19  1  0  0  0
  5  7  1  0  0  0
  5 20  1  0  0  0
  6  2  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7 10  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9  5  1  0  0  0
  9 28  1  0  0  0
 10  8  1  0  0  0
 10  1  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 13  6  1  0  0  0
 13 31  1  0  0  0
M  END
$$$$
