A1E80
  CCTOOLS-0508261013

 56 58  0  0  1  0  0  0  0  0999 V2000
    0.3720   -3.4600    0.1620 C   0  0  0  0  0
   -0.7630   -3.2910   -0.8470 C   0  0  0  0  0
    0.4100   -2.2840    1.1360 C   0  0  0  0  0
   -0.6150   -1.9800   -1.6140 C   0  0  0  0  0
    1.3430   -1.2120    0.6100 C   0  0  0  0  0
   -1.3870   -0.8820   -0.9090 C   0  0  0  0  0
    0.1610   -4.7570    0.9460 C   0  0  0  0  0
   -2.1010   -3.2930   -0.1040 C   0  0  0  0  0
    0.7840   -0.0810    0.0240 C   0  0  0  0  0
   -0.6740    0.0420   -0.1520 C   0  0  0  0  0
    2.7070   -1.3560    0.7170 C   0  0  0  0  0
   -2.7560   -0.8020   -1.0220 C   0  0  0  0  0
    1.6300    0.9420   -0.4240 C   0  0  0  0  0
   -1.3650    1.0930    0.4670 C   0  0  0  0  0
    3.0050    0.8020   -0.3060 C   0  0  0  0  0
   -2.7440    1.1790    0.3430 C   0  0  0  0  0
    3.5460   -0.3490    0.2570 C   0  0  0  0  0
   -3.4420    0.2290   -0.3940 C   0  0  0  0  0
    0.9820    2.1010   -2.3960 C   0  0  0  0  0
   -0.5800    1.8060    2.5960 C   0  0  0  0  0
    4.1790    2.8080    0.2000 C   0  0  0  0  0
   -3.6110    3.3880    0.1800 C   0  0  0  0  0
    1.1050    2.0700   -0.9730 O   0  0  0  0  0
   -0.6860    2.0250    1.1870 O   0  0  0  0  0
    3.8270    1.7940   -0.7430 O   0  0  0  0  0
   -3.4150    2.1980    0.9460 O   0  0  0  0  0
    4.8960   -0.4880    0.3570 O   0  0  0  0  0
   -4.7960    0.3100   -0.5000 O   0  0  0  0  0
    1.3210   -3.5140   -0.3710 H   0  0  0  0  0
   -0.7430   -4.1230   -1.5510 H   0  0  0  0  0
   -0.5930   -1.8710    1.2450 H   0  0  0  0  0
    0.7650   -2.6300    2.1070 H   0  0  0  0  0
    0.4380   -1.7060   -1.6660 H   0  0  0  0  0
   -1.0060   -2.1050   -2.6240 H   0  0  0  0  0
    0.1570   -5.6010    0.2560 H   0  0  0  0  0
    0.9690   -4.8810    1.6670 H   0  0  0  0  0
   -0.7920   -4.7120    1.4720 H   0  0  0  0  0
   -2.1210   -2.4690    0.6100 H   0  0  0  0  0
   -2.9140   -3.1730   -0.8200 H   0  0  0  0  0
   -2.2210   -4.2370    0.4270 H   0  0  0  0  0
    3.1250   -2.2490    1.1570 H   0  0  0  0  0
   -3.2950   -1.5400   -1.5980 H   0  0  0  0  0
    1.9570    1.9180   -2.8490 H   0  0  0  0  0
    0.2810    1.3310   -2.7180 H   0  0  0  0  0
    0.6160    3.0790   -2.7080 H   0  0  0  0  0
   -0.0810    2.6560    3.0590 H   0  0  0  0  0
   -1.5770    1.6930    3.0220 H   0  0  0  0  0
   -0.0020    0.9000    2.7800 H   0  0  0  0  0
    3.2720    3.2560    0.6070 H   0  0  0  0  0
    4.7600    2.3660    1.0090 H   0  0  0  0  0
    4.7730    3.5760   -0.2960 H   0  0  0  0  0
   -4.2410    3.1670   -0.6810 H   0  0  0  0  0
   -4.0950    4.1430    0.8000 H   0  0  0  0  0
   -2.6460    3.7630   -0.1620 H   0  0  0  0  0
    5.3060   -0.9090   -0.4110 H   0  0  0  0  0
   -5.2740   -0.1650    0.1930 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  7  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2 30  1  0  0  0
  3  5  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  6  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  9  2  0  0  0
  5 11  1  0  0  0
  6 10  2  0  0  0
  6 12  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 14  1  0  0  0
 11 17  2  0  0  0
 11 41  1  0  0  0
 12 18  2  0  0  0
 12 42  1  0  0  0
 13 15  2  0  0  0
 14 16  2  0  0  0
 15 17  1  0  0  0
 16 18  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 21 51  1  0  0  0
 22 52  1  0  0  0
 22 53  1  0  0  0
 22 54  1  0  0  0
 23 13  1  0  0  0
 23 19  1  0  0  0
 24 14  1  0  0  0
 24 20  1  0  0  0
 25 15  1  0  0  0
 25 21  1  0  0  0
 26 16  1  0  0  0
 26 22  1  0  0  0
 27 17  1  0  0  0
 27 55  1  0  0  0
 28 18  1  0  0  0
 28 56  1  0  0  0
M  END
$$$$
