A1DFX
  CCTOOLS-0529260941

109113  0  0  1  0  0  0  0  0999 V2000
   -8.9970   -0.3440   -0.5830 C   0  0  0  0  0
  -10.3220   -1.3820    0.9730 C   0  0  0  0  0
  -11.4270   -1.1940    0.1540 C   0  0  0  0  0
   -7.6640    0.1370   -1.0180 C   0  0  0  0  0
  -10.1060   -0.1670   -1.4080 C   0  0  0  0  0
   -7.5380    0.6870   -2.0940 O   0  0  0  0  0
   -9.1360   -0.9510    0.5920 N   0  0  0  0  0
  -11.2920   -0.5970   -1.0160 N   0  0  0  0  0
   -6.5930   -0.0350   -0.2190 N   0  0  0  0  0
   -5.2750    0.4400   -0.6480 C   0  0  0  0  0
   -4.2020   -0.3590    0.0450 C   0  0  0  0  0
   -4.5080   -1.2390    0.8220 O   0  0  0  0  0
   -5.1240    1.9190   -0.2860 C   0  0  0  0  0
   -6.2130    2.7310   -0.9900 C   0  0  0  0  0
   -6.0620    4.2090   -0.6280 C   0  0  0  0  0
   -6.1970    4.3800    0.8870 C   0  0  0  0  0
   -5.1070    3.5690    1.5900 C   0  0  0  0  0
   -5.2590    2.0900    1.2280 C   0  0  0  0  0
   -2.9030   -0.0960   -0.1970 N   0  0  0  0  0
   -1.8600   -0.8730    0.4770 C   0  0  0  0  0
   -0.5940   -0.0580    0.5490 C   0  0  0  0  0
   -0.3070    0.6980   -0.3550 O   0  0  0  0  0
   -1.5940   -2.1590   -0.3080 C   0  0  0  0  0
   -2.8620   -3.0140   -0.3310 C   0  0  0  0  0
   -2.5970   -4.3000   -1.1160 C   0  0  0  0  0
   -1.4660   -5.0830   -0.4450 C   0  0  0  0  0
   -0.1980   -4.2270   -0.4230 C   0  0  0  0  0
   -0.4630   -2.9410    0.3620 C   0  0  0  0  0
    0.2190   -0.1700    1.6180 N   0  0  0  0  0
    1.4270    0.6320    1.8630 C   0  0  0  0  0
    2.4300    0.3970    0.7640 C   0  0  0  0  0
    2.1640   -0.3550   -0.1490 O   0  0  0  0  0
    2.0140    0.1750    3.2160 C   0  0  0  0  0
    0.7920   -0.4650    3.9260 C   0  0  0  0  0
    0.0410   -1.1120    2.7380 C   0  0  0  0  0
    3.6230    1.0230    0.7950 N   0  0  0  0  0
    4.5980    0.7950   -0.2740 C   0  0  0  0  0
    4.3010    1.7350   -1.4450 C   0  0  0  0  0
    2.9430    1.3780   -2.0530 C   0  0  0  0  0
    2.6460    2.3170   -3.2230 C   0  0  0  0  0
    5.9870    1.0650    0.2460 C   0  0  0  0  0
    6.1460    1.4130    1.3970 O   0  0  0  0  0
    7.0520    0.9190   -0.5670 N   0  0  0  0  0
    8.4010    1.1810   -0.0610 C   0  0  0  0  0
    8.7020    2.6540   -0.1710 C   0  0  0  0  0
    7.8730    3.4070   -0.6250 O   0  0  0  0  0
    9.4180    0.3900   -0.8870 C   0  0  0  0  0
    9.1940   -1.0860   -0.6790 C   0  0  0  0  0
    9.8490   -1.7470    0.3430 C   0  0  0  0  0
    8.3300   -1.7770   -1.5080 C   0  0  0  0  0
    9.6440   -3.1010    0.5330 C   0  0  0  0  0
    8.1250   -3.1310   -1.3180 C   0  0  0  0  0
    8.7840   -3.7930   -0.2990 C   0  0  0  0  0
    9.8890    3.1290    0.2360 O   0  0  0  0  0
   -9.9970    0.3220   -2.3650 H   0  0  0  0  0
  -10.4360   -1.8710    1.9290 H   0  0  0  0  0
  -12.3990   -1.5380    0.4750 H   0  0  0  0  0
   -6.6930   -0.4740    0.6410 H   0  0  0  0  0
   -5.1790    0.3190   -1.7270 H   0  0  0  0  0
   -4.1430    2.2730   -0.6050 H   0  0  0  0  0
   -6.1170    2.6090   -2.0690 H   0  0  0  0  0
   -7.1930    2.3770   -0.6700 H   0  0  0  0  0
   -5.0810    4.5630   -0.9470 H   0  0  0  0  0
   -6.8380    4.7880   -1.1290 H   0  0  0  0  0
   -6.0890    5.4340    1.1450 H   0  0  0  0  0
   -7.1770    4.0260    1.2060 H   0  0  0  0  0
   -4.1270    3.9220    1.2710 H   0  0  0  0  0
   -5.2040    3.6900    2.6690 H   0  0  0  0  0
   -6.2390    1.7360    1.5480 H   0  0  0  0  0
   -4.4830    1.5120    1.7300 H   0  0  0  0  0
   -2.6580    0.6080   -0.8180 H   0  0  0  0  0
   -2.1880   -1.1240    1.4850 H   0  0  0  0  0
   -1.3070   -1.9080   -1.3300 H   0  0  0  0  0
   -3.1500   -3.2640    0.6910 H   0  0  0  0  0
   -3.6680   -2.4570   -0.8080 H   0  0  0  0  0
   -3.5010   -4.9090   -1.1320 H   0  0  0  0  0
   -2.3100   -4.0500   -2.1370 H   0  0  0  0  0
   -1.7530   -5.3330    0.5760 H   0  0  0  0  0
   -1.2770   -5.9990   -1.0050 H   0  0  0  0  0
    0.6080   -4.7850    0.0550 H   0  0  0  0  0
    0.0900   -3.9770   -1.4440 H   0  0  0  0  0
    0.4410   -2.3320    0.3780 H   0  0  0  0  0
   -0.7500   -3.1920    1.3830 H   0  0  0  0  0
    1.1670    1.6890    1.9110 H   0  0  0  0  0
    2.8010   -0.5640    3.0640 H   0  0  0  0  0
    2.3870    1.0280    3.7820 H   0  0  0  0  0
    1.1090   -1.2180    4.6470 H   0  0  0  0  0
    0.1760    0.2970    4.4050 H   0  0  0  0  0
   -1.0170   -1.2250    2.9740 H   0  0  0  0  0
    0.4830   -2.0780    2.4950 H   0  0  0  0  0
    3.8360    1.6250    1.5250 H   0  0  0  0  0
    4.5320   -0.2390   -0.6120 H   0  0  0  0  0
    4.2800    2.7640   -1.0880 H   0  0  0  0  0
    5.0780    1.6280   -2.2020 H   0  0  0  0  0
    2.9640    0.3480   -2.4090 H   0  0  0  0  0
    2.1670    1.4840   -1.2950 H   0  0  0  0  0
    1.6790    2.0630   -3.6560 H   0  0  0  0  0
    2.6250    3.3470   -2.8670 H   0  0  0  0  0
    3.4220    2.2110   -3.9810 H   0  0  0  0  0
    6.9240    0.6400   -1.4870 H   0  0  0  0  0
    8.4640    0.8740    0.9830 H   0  0  0  0  0
    9.2950    0.6320   -1.9420 H   0  0  0  0  0
   10.4270    0.6530   -0.5690 H   0  0  0  0  0
   10.5200   -1.2060    0.9930 H   0  0  0  0  0
    7.8160   -1.2590   -2.3040 H   0  0  0  0  0
   10.1560   -3.6180    1.3310 H   0  0  0  0  0
    7.4500   -3.6710   -1.9650 H   0  0  0  0  0
    8.6250   -4.8510   -0.1510 H   0  0  0  0  0
   10.0360    4.0800    0.1460 H   0  0  0  0  0
  1  5  2  0  0  0
  2  3  1  0  0  0
  2 56  1  0  0  0
  3  8  2  0  0  0
  3 57  1  0  0  0
  4  1  1  0  0  0
  4  6  2  0  0  0
  5  8  1  0  0  0
  5 55  1  0  0  0
  7  2  2  0  0  0
  7  1  1  0  0  0
  9  4  1  0  0  0
  9 58  1  0  0  0
 10  9  1  0  0  0
 10 59  1  0  0  0
 11 12  2  0  0  0
 11 10  1  0  0  0
 13 10  1  0  0  0
 13 14  1  0  0  0
 13 60  1  0  0  0
 14 15  1  0  0  0
 14 62  1  0  0  0
 14 61  1  0  0  0
 15 63  1  0  0  0
 15 64  1  0  0  0
 16 15  1  0  0  0
 16 65  1  0  0  0
 16 66  1  0  0  0
 17 18  1  0  0  0
 17 16  1  0  0  0
 17 68  1  0  0  0
 17 67  1  0  0  0
 18 13  1  0  0  0
 18 69  1  0  0  0
 18 70  1  0  0  0
 19 11  1  0  0  0
 19 71  1  0  0  0
 20 19  1  0  0  0
 20 72  1  0  0  0
 21 20  1  0  0  0
 22 21  2  0  0  0
 23 20  1  0  0  0
 23 73  1  0  0  0
 24 23  1  0  0  0
 24 75  1  0  0  0
 24 74  1  0  0  0
 25 24  1  0  0  0
 25 76  1  0  0  0
 25 77  1  0  0  0
 26 25  1  0  0  0
 26 27  1  0  0  0
 26 78  1  0  0  0
 26 79  1  0  0  0
 27 28  1  0  0  0
 27 80  1  0  0  0
 27 81  1  0  0  0
 28 23  1  0  0  0
 28 82  1  0  0  0
 28 83  1  0  0  0
 29 21  1  0  0  0
 29 35  1  0  0  0
 30 33  1  0  0  0
 30 29  1  0  0  0
 30 84  1  0  0  0
 31 32  2  0  0  0
 31 30  1  0  0  0
 33 34  1  0  0  0
 33 85  1  0  0  0
 33 86  1  0  0  0
 34 35  1  0  0  0
 34 87  1  0  0  0
 34 88  1  0  0  0
 35 89  1  0  0  0
 35 90  1  0  0  0
 36 31  1  0  0  0
 36 91  1  0  0  0
 37 36  1  0  0  0
 37 92  1  0  0  0
 38 37  1  0  0  0
 38 39  1  0  0  0
 38 93  1  0  0  0
 38 94  1  0  0  0
 39 40  1  0  0  0
 39 95  1  0  0  0
 39 96  1  0  0  0
 40 97  1  0  0  0
 40 98  1  0  0  0
 40 99  1  0  0  0
 41 42  2  0  0  0
 41 37  1  0  0  0
 43 41  1  0  0  0
 43100  1  0  0  0
 44 43  1  0  0  0
 44101  1  0  0  0
 45 54  1  0  0  0
 45 44  1  0  0  0
 46 45  2  0  0  0
 47 44  1  0  0  0
 47102  1  0  0  0
 47103  1  0  0  0
 48 47  1  0  0  0
 48 50  2  0  0  0
 49 48  1  0  0  0
 49104  1  0  0  0
 50105  1  0  0  0
 51 49  2  0  0  0
 51 53  1  0  0  0
 51106  1  0  0  0
 52 50  1  0  0  0
 52107  1  0  0  0
 53 52  2  0  0  0
 53108  1  0  0  0
 54109  1  0  0  0
M  END
$$$$
