A1E0A
  CCTOOLS-0612260951

 29 31  0  0  1  0  0  0  0  0999 V2000
    4.5090   -0.2780   -0.3280 N   0  0  0  0  0
    3.5410   -0.8880   -0.9020 C   0  0  0  0  0
    2.2360   -1.0820   -0.1740 C   0  0  0  0  0
    1.0820   -0.4040   -0.9480 C   0  0  0  0  0
    0.1720    0.1770    0.1410 C   0  0  0  0  0
   -1.2210   -0.3780    0.0520 C   0  0  0  0  0
   -1.7400   -1.6510    0.1150 C   0  0  0  0  0
   -3.1050   -1.8490   -0.0030 C   0  0  0  0  0
   -3.9450   -0.7660   -0.1840 C   0  0  0  0  0
   -3.4290    0.5120   -0.2480 C   0  0  0  0  0
   -2.0570    0.7210   -0.1310 C   0  0  0  0  0
   -1.3070    1.8980   -0.1640 N   0  0  0  0  0
    0.0110    1.6650   -0.0130 C   0  0  0  0  0
    0.8970    2.4940   -0.0030 O   0  0  0  0  0
    0.8330   -0.1770    1.4800 C   0  0  0  0  0
    2.2660   -0.3870    1.1400 N   0  0  0  0  0
    2.0310   -2.1440   -0.0390 H   0  0  0  0  0
    1.4670    0.3910   -1.5850 H   0  0  0  0  0
    0.5390   -1.1390   -1.5420 H   0  0  0  0  0
   -1.0820   -2.4960    0.2550 H   0  0  0  0  0
   -3.5130   -2.8480    0.0450 H   0  0  0  0  0
   -5.0100   -0.9210   -0.2750 H   0  0  0  0  0
   -4.0910    1.3530   -0.3900 H   0  0  0  0  0
   -1.6900    2.7810   -0.2830 H   0  0  0  0  0
    0.7260    0.6440    2.1880 H   0  0  0  0  0
    0.4010   -1.0910    1.8880 H   0  0  0  0  0
    2.7250   -0.9530    1.8380 H   0  0  0  0  0
    4.4030    0.0590    0.5750 H   0  0  0  0  0
    3.6600   -1.2630   -1.9070 H   0  0  0  0  0
  1  2  2  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  5 15  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8  9  2  0  0  0
  8 21  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10 11  2  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 25  1  0  0  0
 15 26  1  0  0  0
 16 27  1  0  0  0
M  END
$$$$
