A1EQD
  CCTOOLS-0612260951

 43 45  0  0  1  0  0  0  0  0999 V2000
   -3.1920    0.8940   -0.9080 C   0  0  0  0  0
   -4.4410   -1.2830    0.6040 C   0  0  0  0  0
    1.0640   -0.1620    1.1870 C   0  0  0  0  0
    2.3480    1.6450    0.0060 C   0  0  0  0  0
    0.4270    2.2620    1.2830 C   0  0  0  0  0
    1.8270   -0.7330   -1.2280 C   0  0  0  0  0
    1.3480   -1.2170    0.1160 C   0  0  0  0  0
    1.9180   -2.5360    0.5720 C   0  0  0  0  0
   -0.0950   -0.8960    0.5100 C   0  0  0  0  0
   -0.9420   -0.1080   -0.4910 C   0  0  0  0  0
   -2.3760    0.0010    0.0290 C   0  0  0  0  0
   -4.6270    1.0030   -0.3880 C   0  0  0  0  0
   -5.2570   -0.3900   -0.3340 C   0  0  0  0  0
   -3.0070   -1.3920    0.0840 C   0  0  0  0  0
    1.2840    1.2820    0.8170 C   0  0  0  0  0
    2.5140    2.9860   -0.3040 C   0  0  0  0  0
    1.6200    3.9100    0.2030 C   0  0  0  0  0
    0.6190    3.5290    0.9720 N   0  0  0  0  0
    1.0260   -0.4160   -2.0760 O   0  0  0  0  0
    3.1790   -2.8670    0.2570 O   0  0  0  0  0
    1.2380   -3.2950    1.2220 O   0  0  0  0  0
    3.1420   -0.6530   -1.4830 O   0  0  0  0  0
   -2.7430    1.8860   -0.9470 H   0  0  0  0  0
   -3.2000    0.4590   -1.9080 H   0  0  0  0  0
   -4.4330   -0.8480    1.6040 H   0  0  0  0  0
   -4.8900   -2.2750    0.6430 H   0  0  0  0  0
    1.2890   -0.4220    2.2220 H   0  0  0  0  0
    3.0330    0.9010   -0.3730 H   0  0  0  0  0
   -0.4040    1.9870    1.9160 H   0  0  0  0  0
   -0.6330   -1.6390    1.0990 H   0  0  0  0  0
   -0.5230    0.8910   -0.6140 H   0  0  0  0  0
   -0.9420   -0.6230   -1.4520 H   0  0  0  0  0
   -2.3680    0.4360    1.0290 H   0  0  0  0  0
   -4.6190    1.4370    0.6110 H   0  0  0  0  0
   -5.2080    1.6390   -1.0560 H   0  0  0  0  0
   -5.2650   -0.8250   -1.3330 H   0  0  0  0  0
   -6.2790   -0.3120    0.0370 H   0  0  0  0  0
   -2.4250   -2.0280    0.7520 H   0  0  0  0  0
   -3.0150   -1.8270   -0.9160 H   0  0  0  0  0
    3.3320    3.3050   -0.9330 H   0  0  0  0  0
    1.7430    4.9570   -0.0340 H   0  0  0  0  0
    3.5000   -3.7240    0.5720 H   0  0  0  0  0
    3.4010   -0.3370   -2.3600 H   0  0  0  0  0
  1 11  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2 13  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  9  1  0  0  0
  3 27  1  0  0  0
  4 15  2  0  0  0
  4 28  1  0  0  0
  5 18  2  0  0  0
  5 29  1  0  0  0
  6 19  2  0  0  0
  7  6  1  0  0  0
  7  3  1  0  0  0
  8  7  1  0  0  0
  9  7  1  0  0  0
  9 30  1  0  0  0
 10  9  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 10  1  0  0  0
 11 14  1  0  0  0
 11 33  1  0  0  0
 12  1  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 12  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14  2  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15  3  1  0  0  0
 15  5  1  0  0  0
 16  4  1  0  0  0
 16 40  1  0  0  0
 17 16  2  0  0  0
 17 41  1  0  0  0
 18 17  1  0  0  0
 20  8  1  0  0  0
 20 42  1  0  0  0
 21  8  2  0  0  0
 22  6  1  0  0  0
 22 43  1  0  0  0
M  END
$$$$
