A1JNA
  CCTOOLS-0515260948

 57 61  0  0  1  0  0  0  0  0999 V2000
    1.2450    0.9160   -0.2640 C   0  0  0  0  0
    1.3300    4.7930    1.0950 C   0  0  0  0  0
    2.2680   -0.1200   -0.6550 C   0  0  0  0  0
    0.2600    2.8630    0.4440 C   0  0  0  0  0
    1.5150    2.2730    0.2060 C   0  0  0  0  0
    2.6710    3.0320    0.4440 C   0  0  0  0  0
    2.7410   -0.8650    0.5950 C   0  0  0  0  0
   -0.0900    0.7710   -0.2880 C   0  0  0  0  0
    3.5300   -3.1990   -0.0470 C   0  0  0  0  0
    5.7420   -2.9290   -0.3380 C   0  0  0  0  0
    7.1080   -3.0350   -0.5780 C   0  0  0  0  0
    7.9120   -1.9220   -0.4630 C   0  0  0  0  0
    7.3720   -0.6930   -0.1090 C   0  0  0  0  0
    6.0330   -0.5660    0.1310 C   0  0  0  0  0
    5.2020   -1.6830    0.0290 C   0  0  0  0  0
    3.7640   -1.9010    0.2050 C   0  0  0  0  0
   -2.1370    2.1340    0.2430 C   0  0  0  0  0
   -2.6680    2.8000   -1.0410 C   0  0  0  0  0
   -3.7260    1.8040   -1.5760 C   0  0  0  0  0
   -4.0700    0.9840   -0.3060 C   0  0  0  0  0
   -4.6080   -0.3970   -0.6860 C   0  0  0  0  0
    2.5280    4.2780    0.8850 N   0  0  0  0  0
    0.2200    4.1190    0.8860 N   0  0  0  0  0
    4.7010   -3.8290   -0.3700 N   0  0  0  0  0
    3.9280    2.4970    0.2250 N   0  0  0  0  0
   -0.6900    1.9280    0.1360 N   0  0  0  0  0
   -4.8770    2.4940   -2.0650 O   0  0  0  0  0
   -2.8020    0.8670    0.3770 O   0  0  0  0  0
   -5.0270   -1.0860    0.4940 O   0  0  0  0  0
   -4.7090   -3.4860   -0.2220 O   0  0  0  0  0
   -5.8820   -3.0820    1.9770 O   0  0  0  0  0
   -5.6470   -2.5720    0.4680 P   0  0  0  0  0
    1.2590    5.8090    1.4540 H   0  0  0  0  0
    1.8210   -0.8280   -1.3520 H   0  0  0  0  0
    3.1180    0.3700   -1.1290 H   0  0  0  0  0
    3.1880   -0.1580    1.2930 H   0  0  0  0  0
    1.8910   -1.3550    1.0690 H   0  0  0  0  0
   -0.6120   -0.1230   -0.5950 H   0  0  0  0  0
    2.5630   -3.6760    0.0030 H   0  0  0  0  0
    7.5370   -3.9870   -0.8540 H   0  0  0  0  0
    8.9720   -2.0060   -0.6500 H   0  0  0  0  0
    8.0160    0.1700   -0.0220 H   0  0  0  0  0
    5.6220    0.3920    0.4120 H   0  0  0  0  0
   -2.3590    2.7620    1.1050 H   0  0  0  0  0
   -3.1300    3.7600   -0.8100 H   0  0  0  0  0
   -1.8630    2.9300   -1.7650 H   0  0  0  0  0
   -3.3000    1.1630   -2.3480 H   0  0  0  0  0
   -4.7920    1.5190    0.3120 H   0  0  0  0  0
   -5.4570   -0.2830   -1.3610 H   0  0  0  0  0
   -3.8240   -0.9690   -1.1820 H   0  0  0  0  0
    4.7850   -4.7710   -0.5890 H   0  0  0  0  0
    4.0180    1.5860   -0.0970 H   0  0  0  0  0
    4.7190    3.0320    0.3930 H   0  0  0  0  0
   -4.7120    3.0210   -2.8590 H   0  0  0  0  0
   -6.2540   -3.9720    2.0380 H   0  0  0  0  0
   -7.0520   -2.5530   -0.3170 O   0  0  0  0  0
   -7.7170   -1.9730    0.0800 H   0  0  0  0  0
  1  3  1  0  0  0
  2 22  2  0  0  0
  2 33  1  0  0  0
  3  7  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  5  1  1  0  0  0
  5  6  2  0  0  0
  6 25  1  0  0  0
  7 16  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  1  2  0  0  0
  8 38  1  0  0  0
  9 24  1  0  0  0
  9 39  1  0  0  0
 10 24  1  0  0  0
 10 11  2  0  0  0
 11 40  1  0  0  0
 12 11  1  0  0  0
 12 41  1  0  0  0
 13 12  2  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 13  1  0  0  0
 14 43  1  0  0  0
 15 10  1  0  0  0
 16 15  1  0  0  0
 16  9  2  0  0  0
 17 26  1  0  0  0
 17 44  1  0  0  0
 18 17  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 18  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 28  1  0  0  0
 20 48  1  0  0  0
 21 29  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22  6  1  0  0  0
 23  4  2  0  0  0
 23  2  1  0  0  0
 24 51  1  0  0  0
 25 52  1  0  0  0
 25 53  1  0  0  0
 26  4  1  0  0  0
 26  8  1  0  0  0
 27 19  1  0  0  0
 27 54  1  0  0  0
 28 17  1  0  0  0
 29 32  1  0  0  0
 30 32  2  0  0  0
 31 55  1  0  0  0
 32 31  1  0  0  0
 32 56  1  0  0  0
 56 57  1  0  0  0
M  END
$$$$
