A1EV8
  CCTOOLS-0605261016

109113  0  0  1  0  0  0  0  0999 V2000
  -12.9850    0.0210    3.8490 N   0  0  0  0  0
  -12.4060   -1.1650    3.7980 C   0  0  0  0  0
  -11.3780   -1.4170    3.0150 N   0  0  0  0  0
  -10.8750   -0.4680    2.2320 C   0  0  0  0  0
  -11.4550    0.8110    2.2490 C   0  0  0  0  0
  -12.5510    1.0310    3.1010 C   0  0  0  0  0
  -13.1640    2.2700    3.1610 N   0  0  0  0  0
  -10.7620    1.5760    1.3720 N   0  0  0  0  0
   -9.8160    0.8650    0.8310 C   0  0  0  0  0
   -9.8440   -0.4040    1.3290 N   0  0  0  0  0
   -8.9400   -1.4980    0.9660 C   0  0  0  0  0
   -9.5420   -2.3450   -0.1840 C   0  0  0  0  0
  -10.4060   -3.3610    0.3290 O   0  0  0  0  0
   -8.2770   -2.9670   -0.8250 C   0  0  0  0  0
   -8.0700   -4.2940   -0.3370 O   0  0  0  0  0
   -8.0080   -5.5820   -1.3000 P   0  0  0  0  0
   -6.9780   -5.3710   -2.3420 O   0  0  0  0  0
   -7.6330   -6.8850   -0.4310 O   0  0  0  0  0
   -9.4420   -5.7990   -2.0000 O   0  0  0  0  0
   -7.1310   -2.0410   -0.3740 C   0  0  0  0  0
   -7.7160   -0.9800    0.4020 O   0  0  0  0  0
   -6.4160   -1.4640   -1.5980 C   0  0  0  0  0
   -5.2850   -0.7010   -1.1730 O   0  0  0  0  0
   -4.3000    0.0530   -2.1990 P   0  0  0  0  0
   -5.0890    0.9530   -3.0690 O   0  0  0  0  0
   -3.5360   -1.0360   -3.1070 O   0  0  0  0  0
   -3.2210    0.9150   -1.3720 O   0  0  0  0  0
   -2.2670    2.1600   -1.7370 P   0  0  0  0  0
   -3.0410    3.1690   -2.4940 O   0  0  0  0  0
   -1.0340    1.6460   -2.6350 O   0  0  0  0  0
   -1.7050    2.8210   -0.3810 O   0  0  0  0  0
   -0.5490    4.3610    1.0790 C   0  0  0  0  0
   -0.9130    4.0100   -0.3650 C   0  0  0  0  0
   -1.8280    4.5890    1.8860 C   0  0  0  0  0
    0.2470    3.2100    1.6980 C   0  0  0  0  0
    0.2990    5.6350    1.0960 C   0  0  0  0  0
   -0.4860    6.7360    0.6330 O   0  0  0  0  0
    1.4930    5.4550    0.1940 C   0  0  0  0  0
    1.5320    6.0170   -0.8800 O   0  0  0  0  0
    2.5180    4.6700    0.5810 N   0  0  0  0  0
    3.7250    4.5810   -0.2450 C   0  0  0  0  0
    4.7260    3.6300    0.4160 C   0  0  0  0  0
    5.9670    3.5380   -0.4340 C   0  0  0  0  0
    6.0440    4.1710   -1.4660 O   0  0  0  0  0
    6.9920    2.7530   -0.0470 N   0  0  0  0  0
    8.1990    2.6640   -0.8720 C   0  0  0  0  0
    9.1990    1.7140   -0.2120 C   0  0  0  0  0
   10.6900    1.6040   -1.2320 S   0  0  0  0  0
   16.7380   -3.0800    2.5000 N   0  0  0  0  0
   16.4040   -1.9490    1.8080 C   0  0  0  0  0
   15.5820   -2.2600    0.7930 C   0  0  0  0  0
   14.6350   -4.6080    0.0670 C   0  0  0  0  0
   14.6480   -5.9390    0.3790 C   0  0  0  0  0
   15.3870   -6.4040    1.4570 C   0  0  0  0  0
   16.1250   -5.5340    2.2300 C   0  0  0  0  0
   16.1240   -4.1750    1.9340 C   0  0  0  0  0
   15.3730   -3.7090    0.8400 C   0  0  0  0  0
   14.9870   -1.3000   -0.2050 C   0  0  0  0  0
   13.5920   -0.8790    0.2620 C   0  0  0  0  0
   12.9880    0.0960   -0.7520 C   0  0  0  0  0
   11.6140    0.5110   -0.2920 C   0  0  0  0  0
   11.1620    0.0700    0.7440 O   0  0  0  0  0
  -12.7910   -1.9580    4.4220 H   0  0  0  0  0
  -13.9190    2.4100    3.7530 H   0  0  0  0  0
  -12.8380    3.0000    2.6110 H   0  0  0  0  0
   -9.1130    1.2260    0.0950 H   0  0  0  0  0
   -8.7290   -2.1240    1.8330 H   0  0  0  0  0
  -10.0690   -1.7120   -0.8980 H   0  0  0  0  0
  -11.1670   -3.0200    0.8180 H   0  0  0  0  0
   -8.3630   -2.9700   -1.9120 H   0  0  0  0  0
   -7.5780   -7.7000   -0.9470 H   0  0  0  0  0
  -10.1660   -5.9440   -1.3750 H   0  0  0  0  0
   -6.4230   -2.5990    0.2390 H   0  0  0  0  0
   -6.0840   -2.2780   -2.2420 H   0  0  0  0  0
   -7.1020   -0.8200   -2.1490 H   0  0  0  0  0
   -2.9980   -1.6610   -2.6020 H   0  0  0  0  0
   -0.4810    0.9810   -2.2010 H   0  0  0  0  0
   -0.0010    3.8470   -0.9410 H   0  0  0  0  0
   -1.4800    4.8300   -0.8070 H   0  0  0  0  0
   -2.4400    5.3440    1.3920 H   0  0  0  0  0
   -2.3870    3.6560    1.9540 H   0  0  0  0  0
   -1.5690    4.9310    2.8880 H   0  0  0  0  0
    0.6140    3.5100    2.6800 H   0  0  0  0  0
   -0.3980    2.3380    1.8020 H   0  0  0  0  0
    1.0910    2.9640    1.0540 H   0  0  0  0  0
    0.6380    5.8320    2.1130 H   0  0  0  0  0
   -0.8220    6.6280   -0.2670 H   0  0  0  0  0
    2.4570    4.1640    1.4060 H   0  0  0  0  0
    3.4620    4.2030   -1.2330 H   0  0  0  0  0
    4.1730    5.5700   -0.3420 H   0  0  0  0  0
    4.9880    4.0080    1.4030 H   0  0  0  0  0
    4.2780    2.6410    0.5120 H   0  0  0  0  0
    6.9300    2.2470    0.7790 H   0  0  0  0  0
    7.9360    2.2860   -1.8600 H   0  0  0  0  0
    8.6470    3.6530   -0.9690 H   0  0  0  0  0
    9.4620    2.0920    0.7760 H   0  0  0  0  0
    8.7510    0.7250   -0.1150 H   0  0  0  0  0
   17.3240   -3.1080    3.2730 H   0  0  0  0  0
   16.7500   -0.9530    2.0430 H   0  0  0  0  0
   14.0580   -4.2540   -0.7740 H   0  0  0  0  0
   14.0770   -6.6340   -0.2190 H   0  0  0  0  0
   15.3870   -7.4580    1.6910 H   0  0  0  0  0
   16.6970   -5.9060    3.0670 H   0  0  0  0  0
   15.6240   -0.4190   -0.2860 H   0  0  0  0  0
   14.9130   -1.7860   -1.1780 H   0  0  0  0  0
   12.9550   -1.7590    0.3430 H   0  0  0  0  0
   13.6650   -0.3920    1.2340 H   0  0  0  0  0
   13.6250    0.9760   -0.8330 H   0  0  0  0  0
   12.9140   -0.3910   -1.7240 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 63  1  0  0  0
  3  4  2  0  0  0
  4 10  1  0  0  0
  5  4  1  0  0  0
  5  8  1  0  0  0
  6  5  2  0  0  0
  7  6  1  0  0  0
  7 64  1  0  0  0
  7 65  1  0  0  0
  8  9  2  0  0  0
  9 66  1  0  0  0
 10  9  1  0  0  0
 10 11  1  0  0  0
 11 67  1  0  0  0
 12 11  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 68  1  0  0  0
 13 69  1  0  0  0
 14 15  1  0  0  0
 14 70  1  0  0  0
 15 16  1  0  0  0
 16 18  1  0  0  0
 16 19  1  0  0  0
 17 16  2  0  0  0
 18 71  1  0  0  0
 19 72  1  0  0  0
 20 14  1  0  0  0
 20 73  1  0  0  0
 21 11  1  0  0  0
 21 20  1  0  0  0
 22 20  1  0  0  0
 22 74  1  0  0  0
 22 75  1  0  0  0
 23 22  1  0  0  0
 24 23  1  0  0  0
 24 26  1  0  0  0
 25 24  2  0  0  0
 26 76  1  0  0  0
 27 24  1  0  0  0
 28 29  2  0  0  0
 28 27  1  0  0  0
 28 30  1  0  0  0
 30 77  1  0  0  0
 31 28  1  0  0  0
 32 36  1  0  0  0
 32 33  1  0  0  0
 33 31  1  0  0  0
 33 78  1  0  0  0
 33 79  1  0  0  0
 34 32  1  0  0  0
 34 80  1  0  0  0
 34 81  1  0  0  0
 34 82  1  0  0  0
 35 32  1  0  0  0
 35 83  1  0  0  0
 35 84  1  0  0  0
 35 85  1  0  0  0
 36 86  1  0  0  0
 37 36  1  0  0  0
 37 87  1  0  0  0
 38 36  1  0  0  0
 38 39  2  0  0  0
 40 38  1  0  0  0
 40 88  1  0  0  0
 41 40  1  0  0  0
 41 89  1  0  0  0
 41 90  1  0  0  0
 42 41  1  0  0  0
 42 91  1  0  0  0
 42 92  1  0  0  0
 43 42  1  0  0  0
 44 43  2  0  0  0
 45 43  1  0  0  0
 45 93  1  0  0  0
 46 47  1  0  0  0
 46 45  1  0  0  0
 46 94  1  0  0  0
 46 95  1  0  0  0
 47 96  1  0  0  0
 47 97  1  0  0  0
 48 61  1  0  0  0
 48 47  1  0  0  0
 49 56  1  0  0  0
 49 98  1  0  0  0
 50 51  2  0  0  0
 50 49  1  0  0  0
 50 99  1  0  0  0
 51 57  1  0  0  0
 52 53  2  0  0  0
 52100  1  0  0  0
 53 54  1  0  0  0
 53101  1  0  0  0
 54102  1  0  0  0
 55 54  2  0  0  0
 55103  1  0  0  0
 56 55  1  0  0  0
 57 56  2  0  0  0
 57 52  1  0  0  0
 58 51  1  0  0  0
 58104  1  0  0  0
 58105  1  0  0  0
 59 60  1  0  0  0
 59 58  1  0  0  0
 59106  1  0  0  0
 59107  1  0  0  0
 60108  1  0  0  0
 60109  1  0  0  0
 61 60  1  0  0  0
 62 61  2  0  0  0
M  END
$$$$
