A1DHT
  CCTOOLS-0522260957

112116  0  0  1  0  0  0  0  0999 V2000
    8.5980    0.3470   -0.4990 C   0  0  0  0  0
   10.1420    1.6230    0.6150 C   0  0  0  0  0
   11.1280    1.1900   -0.2580 C   0  0  0  0  0
    7.2060   -0.1360   -0.6570 C   0  0  0  0  0
    9.5910   -0.0830   -1.3790 C   0  0  0  0  0
    6.9300   -0.9120   -1.5500 O   0  0  0  0  0
    8.9030    1.1960    0.4780 N   0  0  0  0  0
   10.8300    0.3510   -1.2350 N   0  0  0  0  0
    6.2470    0.2850    0.1910 N   0  0  0  0  0
    4.8710   -0.1930    0.0360 C   0  0  0  0  0
    3.9190    0.8120    0.6320 C   0  0  0  0  0
    4.3490    1.8270    1.1380 O   0  0  0  0  0
    4.7120   -1.5350    0.7540 C   0  0  0  0  0
    5.5860   -2.5870    0.0690 C   0  0  0  0  0
    5.0740   -2.8260   -1.3530 C   0  0  0  0  0
    5.9480   -3.8790   -2.0390 C   0  0  0  0  0
    5.8870   -5.1870   -1.2480 C   0  0  0  0  0
    6.3980   -4.9470    0.1740 C   0  0  0  0  0
    5.5240   -3.8950    0.8600 C   0  0  0  0  0
    2.5920    0.5820    0.6040 N   0  0  0  0  0
    1.6670    1.5590    1.1850 C   0  0  0  0  0
    0.3910    0.8660    1.5880 C   0  0  0  0  0
    0.2670   -0.3270    1.4090 O   0  0  0  0  0
    1.3530    2.6420    0.1500 C   0  0  0  0  0
    2.6480    3.3460   -0.2600 C   0  0  0  0  0
    2.3350    4.4290   -1.2950 C   0  0  0  0  0
    1.6920    3.7860   -2.5260 C   0  0  0  0  0
    0.3970    3.0820   -2.1160 C   0  0  0  0  0
    0.7110    2.0000   -1.0810 C   0  0  0  0  0
   -0.6110    1.5710    2.1490 N   0  0  0  0  0
   -1.9010    1.0230    2.5930 C   0  0  0  0  0
   -2.6390    0.4330    1.4190 C   0  0  0  0  0
   -2.1420    0.4640    0.3130 O   0  0  0  0  0
   -2.7140    2.1900    3.1910 C   0  0  0  0  0
   -1.6160    3.2210    3.5660 C   0  0  0  0  0
   -0.5940    3.0200    2.4230 C   0  0  0  0  0
   -3.8510   -0.1280    1.5980 N   0  0  0  0  0
   -4.5680   -0.7010    0.4560 C   0  0  0  0  0
   -4.0980   -2.1390    0.2280 C   0  0  0  0  0
   -2.6240   -2.1350   -0.1810 C   0  0  0  0  0
   -2.1540   -3.5730   -0.4090 C   0  0  0  0  0
   -6.0490   -0.6960    0.7390 C   0  0  0  0  0
   -6.4630   -0.2560    1.7910 O   0  0  0  0  0
   -6.9110   -1.1790   -0.1760 N   0  0  0  0  0
   -8.3510   -1.1730    0.0980 C   0  0  0  0  0
   -8.7170   -2.4070    0.8830 C   0  0  0  0  0
   -7.8630   -3.2080    1.1820 O   0  0  0  0  0
   -9.1220   -1.1610   -1.2230 C   0  0  0  0  0
   -8.8510    0.1300   -1.9510 C   0  0  0  0  0
   -7.7920    0.2140   -2.8360 C   0  0  0  0  0
   -9.6640    1.2270   -1.7390 C   0  0  0  0  0
   -7.5420    1.3980   -3.5040 C   0  0  0  0  0
   -9.4150    2.4110   -2.4080 C   0  0  0  0  0
   -8.3520    2.4980   -3.2880 C   0  0  0  0  0
   -9.9910   -2.6150    1.2500 O   0  0  0  0  0
    9.3470   -0.7690   -2.1770 H   0  0  0  0  0
   10.3890    2.3130    1.4090 H   0  0  0  0  0
   12.1420    1.5430   -0.1430 H   0  0  0  0  0
    6.4670    0.9040    0.9050 H   0  0  0  0  0
    4.6480   -0.3200   -1.0240 H   0  0  0  0  0
    5.0200   -1.4280    1.7940 H   0  0  0  0  0
    3.6680   -1.8470    0.7150 H   0  0  0  0  0
    6.6160   -2.2340    0.0300 H   0  0  0  0  0
    4.0440   -3.1790   -1.3140 H   0  0  0  0  0
    5.1180   -1.8950   -1.9170 H   0  0  0  0  0
    5.5840   -4.0500   -3.0520 H   0  0  0  0  0
    6.9780   -3.5260   -2.0780 H   0  0  0  0  0
    4.8560   -5.5400   -1.2080 H   0  0  0  0  0
    6.5090   -5.9370   -1.7360 H   0  0  0  0  0
    6.3540   -5.8790    0.7380 H   0  0  0  0  0
    7.4290   -4.5940    0.1350 H   0  0  0  0  0
    5.8890   -3.7240    1.8730 H   0  0  0  0  0
    4.4940   -4.2480    0.8990 H   0  0  0  0  0
    2.2480   -0.2300    0.2000 H   0  0  0  0  0
    2.1250    2.0170    2.0620 H   0  0  0  0  0
    0.6650    3.3690    0.5810 H   0  0  0  0  0
    3.1060    3.8040    0.6170 H   0  0  0  0  0
    3.3360    2.6190   -0.6920 H   0  0  0  0  0
    1.6470    5.1550   -0.8630 H   0  0  0  0  0
    3.2570    4.9300   -1.5870 H   0  0  0  0  0
    1.4690    4.5570   -3.2630 H   0  0  0  0  0
    2.3800    3.0590   -2.9570 H   0  0  0  0  0
   -0.2910    3.8090   -1.6840 H   0  0  0  0  0
   -0.0610    2.6250   -2.9930 H   0  0  0  0  0
    1.3980    1.2730   -1.5130 H   0  0  0  0  0
   -0.2120    1.4980   -0.7890 H   0  0  0  0  0
   -1.7360    0.2560    3.3500 H   0  0  0  0  0
   -3.3950    2.6060    2.4490 H   0  0  0  0  0
   -3.2600    1.8660    4.0770 H   0  0  0  0  0
   -2.0150    4.2360    3.5610 H   0  0  0  0  0
   -1.1710    2.9840    4.5320 H   0  0  0  0  0
    0.4000    3.3330    2.7430 H   0  0  0  0  0
   -0.9020    3.5770    1.5390 H   0  0  0  0  0
   -4.2480   -0.1530    2.4820 H   0  0  0  0  0
   -4.3670   -0.1070   -0.4350 H   0  0  0  0  0
   -4.2180   -2.7110    1.1480 H   0  0  0  0  0
   -4.6940   -2.5950   -0.5630 H   0  0  0  0  0
   -2.5040   -1.5630   -1.1020 H   0  0  0  0  0
   -2.0290   -1.6790    0.6100 H   0  0  0  0  0
   -2.2740   -4.1450    0.5110 H   0  0  0  0  0
   -2.7500   -4.0290   -1.2000 H   0  0  0  0  0
   -1.1040   -3.5700   -0.7010 H   0  0  0  0  0
   -6.5800   -1.5300   -1.0180 H   0  0  0  0  0
   -8.6060   -0.2850    0.6770 H   0  0  0  0  0
   -8.8010   -2.0010   -1.8390 H   0  0  0  0  0
  -10.1900   -1.2470   -1.0210 H   0  0  0  0  0
   -7.1590   -0.6440   -3.0040 H   0  0  0  0  0
  -10.4940    1.1600   -1.0520 H   0  0  0  0  0
   -6.7150    1.4650   -4.1950 H   0  0  0  0  0
  -10.0500    3.2690   -2.2430 H   0  0  0  0  0
   -8.1570    3.4230   -3.8100 H   0  0  0  0  0
  -10.1770   -3.4200    1.7520 H   0  0  0  0  0
  1  4  1  0  0  0
  1  7  2  0  0  0
  2  7  1  0  0  0
  2 57  1  0  0  0
  3  2  2  0  0  0
  3 58  1  0  0  0
  4  9  1  0  0  0
  5  1  1  0  0  0
  5 56  1  0  0  0
  6  4  2  0  0  0
  8  5  2  0  0  0
  8  3  1  0  0  0
  9 10  1  0  0  0
  9 59  1  0  0  0
 10 13  1  0  0  0
 10 11  1  0  0  0
 10 60  1  0  0  0
 11 20  1  0  0  0
 11 12  2  0  0  0
 13 61  1  0  0  0
 13 62  1  0  0  0
 14 19  1  0  0  0
 14 13  1  0  0  0
 14 63  1  0  0  0
 15 14  1  0  0  0
 15 65  1  0  0  0
 15 64  1  0  0  0
 16 15  1  0  0  0
 16 67  1  0  0  0
 16 66  1  0  0  0
 17 16  1  0  0  0
 17 18  1  0  0  0
 17 69  1  0  0  0
 17 68  1  0  0  0
 18 19  1  0  0  0
 18 71  1  0  0  0
 18 70  1  0  0  0
 19 72  1  0  0  0
 19 73  1  0  0  0
 20 21  1  0  0  0
 20 74  1  0  0  0
 21 22  1  0  0  0
 21 75  1  0  0  0
 22 30  1  0  0  0
 23 22  2  0  0  0
 24 21  1  0  0  0
 24 25  1  0  0  0
 24 76  1  0  0  0
 25 77  1  0  0  0
 25 78  1  0  0  0
 26 25  1  0  0  0
 26 80  1  0  0  0
 26 79  1  0  0  0
 27 26  1  0  0  0
 27 82  1  0  0  0
 27 81  1  0  0  0
 28 29  1  0  0  0
 28 27  1  0  0  0
 28 84  1  0  0  0
 28 83  1  0  0  0
 29 24  1  0  0  0
 29 86  1  0  0  0
 29 85  1  0  0  0
 30 36  1  0  0  0
 30 31  1  0  0  0
 31 32  1  0  0  0
 31 34  1  0  0  0
 31 87  1  0  0  0
 32 37  1  0  0  0
 33 32  2  0  0  0
 34 88  1  0  0  0
 34 89  1  0  0  0
 35 34  1  0  0  0
 35 90  1  0  0  0
 35 91  1  0  0  0
 36 35  1  0  0  0
 36 92  1  0  0  0
 36 93  1  0  0  0
 37 38  1  0  0  0
 37 94  1  0  0  0
 38 42  1  0  0  0
 38 95  1  0  0  0
 39 40  1  0  0  0
 39 38  1  0  0  0
 39 96  1  0  0  0
 39 97  1  0  0  0
 40 41  1  0  0  0
 40 98  1  0  0  0
 40 99  1  0  0  0
 41100  1  0  0  0
 41101  1  0  0  0
 41102  1  0  0  0
 42 44  1  0  0  0
 42 43  2  0  0  0
 44 45  1  0  0  0
 44103  1  0  0  0
 45 48  1  0  0  0
 45 46  1  0  0  0
 45104  1  0  0  0
 46 47  2  0  0  0
 46 55  1  0  0  0
 48 49  1  0  0  0
 48105  1  0  0  0
 48106  1  0  0  0
 49 50  1  0  0  0
 50 52  2  0  0  0
 50107  1  0  0  0
 51 49  2  0  0  0
 51 53  1  0  0  0
 51108  1  0  0  0
 52109  1  0  0  0
 53 54  2  0  0  0
 53110  1  0  0  0
 54 52  1  0  0  0
 54111  1  0  0  0
 55112  1  0  0  0
M  END
$$$$
