A1JXX
  CCTOOLS-0807261402

 61 65  0  0  0  0  0  0  0  0999 V2000
    9.4990    1.9410   -0.4680 C   0  0  0  0  0
   10.2780    0.9200   -0.9800 C   0  0  0  0  0
    9.7260   -0.3260   -1.2110 C   0  0  0  0  0
    8.3920   -0.5580   -0.9310 C   0  0  0  0  0
    7.6040    0.4610   -0.4160 C   0  0  0  0  0
    8.1620    1.7170   -0.1840 C   0  0  0  0  0
    3.9380   -2.5820    0.5810 C   0  0  0  0  0
    4.3840   -1.2860    0.3090 C   0  0  0  0  0
    3.4620   -0.2400    0.2060 C   0  0  0  0  0
    2.1190   -0.4900    0.3740 C   0  0  0  0  0
    1.6780   -1.7820    0.6450 C   0  0  0  0  0
    2.5930   -2.8250    0.7480 C   0  0  0  0  0
    8.0330    3.9810    0.5330 C   0  0  0  0  0
    5.8250   -1.0210    0.1300 C   0  0  0  0  0
   -0.5900   -1.3450    0.0910 C   0  0  0  0  0
   -2.0530   -1.6880    0.1950 C   0  0  0  0  0
   -2.9590   -0.7900   -0.6640 C   0  0  0  0  0
   -3.9500   -0.7990    0.5110 C   0  0  0  0  0
   -2.7430   -1.0770    1.4260 C   0  0  0  0  0
   -7.7630    2.1420    0.3670 C   0  0  0  0  0
   -5.9050    0.6870    0.4310 C   0  0  0  0  0
   -7.8730   -0.1940   -0.4390 C   0  0  0  0  0
   -8.5320    1.0380   -0.2240 C   0  0  0  0  0
   -9.8740    1.1810   -0.5720 C   0  0  0  0  0
   -8.5800   -1.2600   -1.0000 C   0  0  0  0  0
   -9.9050   -1.0970   -1.3360 C   0  0  0  0  0
  -10.5500    0.1150   -1.1240 C   0  0  0  0  0
   -6.4650    1.9080    0.6710 N   0  0  0  0  0
   -6.5680   -0.3120   -0.0950 N   0  0  0  0  0
   -4.5860    0.4980    0.7550 N   0  0  0  0  0
    0.3170   -2.0310    0.8140 N   0  0  0  0  0
    6.2530    0.2290   -0.1320 N   0  0  0  0  0
    7.3950    2.7210    0.3200 O   0  0  0  0  0
    6.6250   -1.9320    0.2200 O   0  0  0  0  0
   -0.2270   -0.4510   -0.6440 O   0  0  0  0  0
   -8.2740    3.2280    0.5720 O   0  0  0  0  0
    9.9340    2.9120   -0.2850 H   0  0  0  0  0
   11.3200    1.0960   -1.2010 H   0  0  0  0  0
   10.3370   -1.1210   -1.6120 H   0  0  0  0  0
    7.9630   -1.5330   -1.1130 H   0  0  0  0  0
    4.6470   -3.3930    0.6560 H   0  0  0  0  0
    3.8030    0.7630   -0.0030 H   0  0  0  0  0
    1.4060    0.3170    0.2950 H   0  0  0  0  0
    2.2470   -3.8270    0.9540 H   0  0  0  0  0
    7.3110    4.6910    0.9360 H   0  0  0  0  0
    8.8550    3.8580    1.2380 H   0  0  0  0  0
    8.4210    4.3570   -0.4150 H   0  0  0  0  0
   -2.2480   -2.7530    0.0690 H   0  0  0  0  0
   -2.5330    0.1930   -0.8680 H   0  0  0  0  0
   -3.3380   -1.2810   -1.5610 H   0  0  0  0  0
   -4.6650   -1.6210    0.4710 H   0  0  0  0  0
   -2.9500   -1.7980    2.2150 H   0  0  0  0  0
   -2.2580   -0.1730    1.7940 H   0  0  0  0  0
  -10.3810    2.1200   -0.4090 H   0  0  0  0  0
   -8.0900   -2.2070   -1.1700 H   0  0  0  0  0
  -10.4510   -1.9220   -1.7700 H   0  0  0  0  0
  -11.5900    0.2220   -1.3940 H   0  0  0  0  0
   -5.9280    2.6150    1.0630 H   0  0  0  0  0
   -4.0740    1.2230    1.1460 H   0  0  0  0  0
    0.0220   -2.6990    1.4530 H   0  0  0  0  0
    5.6250    0.9690   -0.1230 H   0  0  0  0  0
  1  6  2  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  2  3  2  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  4 40  1  0  0  0
  5 32  1  0  0  0
  5  4  2  0  0  0
  6  5  1  0  0  0
  7 12  1  0  0  0
  7 41  1  0  0  0
  8  7  2  0  0  0
  9 10  2  0  0  0
  9  8  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 11 12  2  0  0  0
 12 44  1  0  0  0
 13 33  1  0  0  0
 13 45  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 14  8  1  0  0  0
 14 34  2  0  0  0
 15 35  2  0  0  0
 16 15  1  0  0  0
 16 48  1  0  0  0
 17 16  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 19  1  0  0  0
 18 17  1  0  0  0
 18 51  1  0  0  0
 19 16  1  0  0  0
 19 52  1  0  0  0
 19 53  1  0  0  0
 20 23  1  0  0  0
 21 29  2  0  0  0
 22 25  2  0  0  0
 23 24  2  0  0  0
 23 22  1  0  0  0
 24 27  1  0  0  0
 24 54  1  0  0  0
 25 26  1  0  0  0
 25 55  1  0  0  0
 26 56  1  0  0  0
 27 26  2  0  0  0
 27 57  1  0  0  0
 28 20  1  0  0  0
 28 21  1  0  0  0
 28 58  1  0  0  0
 29 22  1  0  0  0
 30 21  1  0  0  0
 30 18  1  0  0  0
 30 59  1  0  0  0
 31 11  1  0  0  0
 31 15  1  0  0  0
 31 60  1  0  0  0
 32 14  1  0  0  0
 32 61  1  0  0  0
 33  6  1  0  0  0
 36 20  2  0  0  0
M  END
$$$$
