A1B95
  CCTOOLS-0501261012

 55 59  0  0  0  0  0  0  0  0999 V2000
    3.4640    0.7850   -0.5690 N   0  0  0  0  0
    3.0620   -3.2310   -0.2620 N   0  0  0  0  0
    4.6080    1.6820   -0.7570 C   0  0  0  0  0
    3.5340   -0.5740   -0.4890 C   0  0  0  0  0
    4.2790   -2.7500   -0.4370 C   0  0  0  0  0
    2.0080   -2.4240   -0.1880 C   0  0  0  0  0
    0.5500   -4.3660    0.2390 C   0  0  0  0  0
    1.3590    0.1430   -0.2780 C   0  0  0  0  0
   -2.0460   -0.6170    1.0940 C   0  0  0  0  0
   -4.2640    0.1670    0.4240 C   0  0  0  0  0
   -4.4610    1.7070   -1.4210 C   0  0  0  0  0
   -0.8940    0.9350   -0.9370 C   0  0  0  0  0
   -6.9360    0.0560    0.7260 C   0  0  0  0  0
   -8.3340    0.3670    1.2650 C   0  0  0  0  0
    6.2860    3.1130    0.4170 C   0  0  0  0  0
   -0.1120    0.1550   -0.1050 C   0  0  0  0  0
   -0.7010   -0.6150    0.9130 C   0  0  0  0  0
   -2.8700    0.1580    0.2580 C   0  0  0  0  0
   -5.0430    0.9360   -0.4100 C   0  0  0  0  0
   -3.1130    1.7240   -1.5980 C   0  0  0  0  0
   -2.2870    0.9430   -0.7700 C   0  0  0  0  0
    5.1730    2.0810    0.6080 C   0  0  0  0  0
   -8.1270   -0.8090    0.3080 C   0  0  0  0  0
    4.0580    2.6850    1.4640 C   0  0  0  0  0
    2.2190   -1.0400   -0.3030 C   0  0  0  0  0
    4.5250   -1.4630   -0.5490 N   0  0  0  0  0
    0.7370   -2.9340   -0.0050 N   0  0  0  0  0
    2.1320    1.1920   -0.4380 N   0  0  0  0  0
    5.7020    0.9250    1.2600 O   0  0  0  0  0
   -6.3920    0.9460   -0.2510 O   0  0  0  0  0
    5.3780    1.1710   -1.3340 H   0  0  0  0  0
    4.2850    2.5750   -1.2920 H   0  0  0  0  0
    5.1070   -3.4420   -0.4910 H   0  0  0  0  0
    0.9420   -4.9320   -0.6060 H   0  0  0  0  0
    1.0810   -4.6520    1.1460 H   0  0  0  0  0
   -0.5120   -4.5790    0.3570 H   0  0  0  0  0
   -2.4840   -1.2170    1.8780 H   0  0  0  0  0
   -4.7230   -0.4260    1.2020 H   0  0  0  0  0
   -5.0900    2.3030   -2.0660 H   0  0  0  0  0
   -0.4360    1.5340   -1.7110 H   0  0  0  0  0
   -6.2160   -0.3810    1.4170 H   0  0  0  0  0
   -8.5330    0.1350    2.3110 H   0  0  0  0  0
   -8.8390    1.2510    0.8740 H   0  0  0  0  0
    5.8820    3.9950   -0.0810 H   0  0  0  0  0
    6.6880    3.3970    1.3890 H   0  0  0  0  0
    7.0800    2.6830   -0.1940 H   0  0  0  0  0
   -0.0740   -1.2120    1.5590 H   0  0  0  0  0
   -2.6780    2.3240   -2.3840 H   0  0  0  0  0
   -8.4960   -0.6990   -0.7120 H   0  0  0  0  0
   -8.1910   -1.8140    0.7250 H   0  0  0  0  0
    3.2650    1.9500    1.6000 H   0  0  0  0  0
    4.4610    2.9690    2.4360 H   0  0  0  0  0
    3.6550    3.5670    0.9660 H   0  0  0  0  0
   -0.0320   -2.3430   -0.0390 H   0  0  0  0  0
    6.0780    1.1040    2.1330 H   0  0  0  0  0
  1 28  1  0  0  0
  2  6  1  0  0  0
  3  1  1  0  0  0
  3 22  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4 25  1  0  0  0
  4  1  1  0  0  0
  5  2  2  0  0  0
  5 26  1  0  0  0
  5 33  1  0  0  0
  6 27  1  0  0  0
  6 25  2  0  0  0
  7 27  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 28  2  0  0  0
  8 16  1  0  0  0
  9 18  1  0  0  0
  9 37  1  0  0  0
 10 19  1  0  0  0
 10 38  1  0  0  0
 11 19  2  0  0  0
 11 39  1  0  0  0
 12 21  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 44  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 12  2  0  0  0
 16 17  1  0  0  0
 17  9  2  0  0  0
 17 47  1  0  0  0
 18 10  2  0  0  0
 19 30  1  0  0  0
 20 11  1  0  0  0
 20 48  1  0  0  0
 21 20  2  0  0  0
 21 18  1  0  0  0
 22 29  1  0  0  0
 22 15  1  0  0  0
 23 13  1  0  0  0
 23 14  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 22  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
 25  8  1  0  0  0
 26  4  2  0  0  0
 27 54  1  0  0  0
 29 55  1  0  0  0
 30 13  1  0  0  0
M  END
$$$$
