A1JJL
  CCTOOLS-0710261011

 50 53  0  0  0  0  0  0  0  0999 V2000
    4.0180   -1.0850   -0.7700 N   0  0  0  0  0
    2.5430   -2.9890   -1.1940 C   0  0  0  0  0
    1.3280   -3.5600   -1.0610 C   0  0  0  0  0
   -2.5350   -1.1760    2.2180 O   0  0  0  0  0
    2.1100    2.8650    1.2890 C   0  0  0  0  0
    4.2110    0.1890   -0.3690 C   0  0  0  0  0
    2.7550   -1.6100   -0.7580 C   0  0  0  0  0
    3.1000    0.9460    0.0590 C   0  0  0  0  0
    1.8670    0.3710    0.0610 C   0  0  0  0  0
    0.6410    1.1190    0.5140 C   0  0  0  0  0
    5.3280    0.6780   -0.3770 O   0  0  0  0  0
    3.3190    2.3700    0.4960 C   0  0  0  0  0
    0.8920    2.5630    0.5200 N   0  0  0  0  0
   -3.6960   -2.6540   -1.3420 O   0  5  0  0  0
   -3.3740   -2.1980   -0.2590 N   0  3  0  0  0
   -4.2110   -1.6760    0.4550 O   0  0  0  0  0
   -1.9650   -2.2780    0.1880 C   0  0  0  0  0
   -1.0190   -2.8620   -0.6230 C   0  0  0  0  0
   -1.5990   -1.7570    1.4240 C   0  0  0  0  0
   -0.2780   -1.8280    1.8500 C   0  0  0  0  0
    0.6750   -2.4160    1.0490 C   0  0  0  0  0
    0.3130   -2.9370   -0.1990 C   0  0  0  0  0
    1.7240   -0.8890   -0.3570 N   0  0  0  0  0
   -0.2630    3.2970    1.0530 C   0  0  0  0  0
   -1.4340    3.1400    0.1170 C   0  0  0  0  0
   -2.3160    2.0890    0.2830 C   0  0  0  0  0
   -3.3900    1.9450   -0.5760 C   0  0  0  0  0
   -3.5800    2.8520   -1.6010 C   0  0  0  0  0
   -2.6980    3.9030   -1.7680 C   0  0  0  0  0
   -1.6280    4.0500   -0.9050 C   0  0  0  0  0
    4.7680   -1.6230   -1.0680 H   0  0  0  0  0
    3.3600   -3.5500   -1.6240 H   0  0  0  0  0
    1.1010   -4.4760   -1.5860 H   0  0  0  0  0
   -2.9710   -1.7900    2.8260 H   0  0  0  0  0
    2.0700    2.3560    2.2520 H   0  0  0  0  0
    2.1900    3.9410    1.4470 H   0  0  0  0  0
   -0.1840    0.9000   -0.1630 H   0  0  0  0  0
    0.3750    0.7960    1.5210 H   0  0  0  0  0
    3.4580    3.0000   -0.3830 H   0  0  0  0  0
    4.2100    2.4230    1.1220 H   0  0  0  0  0
   -1.3040   -3.2630   -1.5840 H   0  0  0  0  0
    0.0010   -1.4220    2.8110 H   0  0  0  0  0
    1.7020   -2.4700    1.3800 H   0  0  0  0  0
   -0.5260    2.8980    2.0330 H   0  0  0  0  0
   -0.0120    4.3530    1.1460 H   0  0  0  0  0
   -2.1670    1.3800    1.0850 H   0  0  0  0  0
   -4.0790    1.1240   -0.4450 H   0  0  0  0  0
   -4.4190    2.7400   -2.2730 H   0  0  0  0  0
   -2.8470    4.6110   -2.5700 H   0  0  0  0  0
   -0.9380    4.8710   -1.0360 H   0  0  0  0  0
  1  6  1  0  0  0
  1 31  1  0  0  0
  2  7  1  0  0  0
  2 32  1  0  0  0
  3 22  1  0  0  0
  3  2  2  0  0  0
  3 33  1  0  0  0
  4 34  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6 11  2  0  0  0
  6  8  1  0  0  0
  7  1  1  0  0  0
  7 23  2  0  0  0
  8 12  1  0  0  0
  9  8  2  0  0  0
  9 10  1  0  0  0
 10 13  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 12  5  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13  5  1  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 17 19  1  0  0  0
 18 17  2  0  0  0
 18 22  1  0  0  0
 18 41  1  0  0  0
 19  4  1  0  0  0
 19 20  2  0  0  0
 20 42  1  0  0  0
 21 20  1  0  0  0
 21 43  1  0  0  0
 22 21  2  0  0  0
 23  9  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
 25 24  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 46  1  0  0  0
 27 47  1  0  0  0
 28 27  2  0  0  0
 28 48  1  0  0  0
 29 28  1  0  0  0
 29 49  1  0  0  0
 30 29  2  0  0  0
 30 25  1  0  0  0
 30 50  1  0  0  0
M  CHG  1  14  -1
M  CHG  1  15   1
M  END
$$$$
