XUM
  CCTOOLS-0919241036

 97101  0  0  1  0  0  0  0  0999 V2000
   -0.1680    0.2380   -1.3260 C   0  0  0  0  0
   -0.8870    5.5900   -0.2360 C   0  0  0  0  0
    0.3860    7.0180    1.1260 C   0  0  0  0  0
   -0.1960    6.5510    3.3570 C   0  0  0  0  0
   -3.1190    1.7000   -1.3380 C   0  0  0  0  0
   -4.4160    1.6470   -0.8660 C   0  0  0  0  0
   -5.1450    0.4720   -0.9760 C   0  0  0  0  0
   -3.2760   -0.5850   -2.0400 C   0  0  0  0  0
    5.1820    2.9320    0.2220 C   0  0  0  0  0
   -7.1120   -0.8250   -0.6590 C   0  0  0  0  0
    6.0910   -3.7510    1.6800 C   0  0  0  0  0
    4.7490   -3.9240    1.3490 C   0  0  0  0  0
    4.2130   -3.2450    0.2680 C   0  0  0  0  0
    5.0090   -2.3980   -0.4810 C   0  0  0  0  0
    6.3400   -2.2260   -0.1530 C   0  0  0  0  0
    6.8820   -2.9000    0.9260 C   0  0  0  0  0
    4.3310    1.0990   -1.2460 C   0  0  0  0  0
    2.2220   -0.2290   -0.7670 C   0  0  0  0  0
    1.2560    0.1790   -1.8810 C   0  0  0  0  0
    0.0800    2.5110   -0.4840 C   0  0  0  0  0
    0.3690    4.7860    0.1790 C   0  0  0  0  0
    0.8320    5.5630    1.4360 C   0  0  0  0  0
   -0.0790    5.1860    2.6320 C   0  0  0  0  0
   -1.1340    0.6460   -2.4400 C   0  0  0  0  0
   -2.5490    0.5850   -1.9250 C   0  0  0  0  0
   -4.5690   -0.6470   -1.5600 C   0  0  0  0  0
    4.5360    1.5450    0.2030 C   0  0  0  0  0
    5.4490    0.5470    0.9190 C   0  0  0  0  0
   -7.0730   -4.5230    1.2890 C   0  0  0  0  0
   -4.1040   -3.0500    1.2050 C   0  0  0  0  0
   -7.9610   -5.6880    0.8480 C   0  0  0  0  0
   -2.6610   -3.0580    0.6980 C   0  0  0  0  0
    5.0970   -4.8480    3.3520 C   0  0  0  0  0
    3.5980   -0.1690   -1.2680 N   0  0  0  0  0
   -0.2290    1.2220   -0.2420 N   0  0  0  0  0
    5.4240   -1.0980   -2.6440 O   0  0  0  0  0
    3.2820   -2.3560   -2.3660 O   0  0  0  0  0
    1.3160   -0.7800   -2.9390 O   0  0  0  0  0
    0.4080    2.8580   -1.6010 O   0  0  0  0  0
    0.0240    3.4150    0.5120 O   0  0  0  0  0
   -0.5660    6.9580    0.0580 O   0  0  0  0  0
   -0.2570    7.5240    2.3030 O   0  0  0  0  0
    4.1910   -4.8020    2.2330 O   0  0  0  0  0
   -6.4210    0.4170   -0.5120 O   0  0  0  0  0
    6.3720   -4.5160    2.7750 O   0  0  0  0  0
   -7.2640   -3.4170    0.4040 O   0  0  0  0  0
   -4.9090   -2.2490    0.3370 O   0  0  0  0  0
   -6.7100   -1.4860    1.9320 O   0  0  0  0  0
   -6.4850   -2.0180    0.5700 P   0  0  0  0  0
    4.3240   -1.5360   -1.8570 S   0  0  0  0  0
   -0.4490   -0.7430   -0.9420 H   0  0  0  0  0
   -1.0800    5.4670   -1.3020 H   0  0  0  0  0
   -1.7510    5.2700    0.3460 H   0  0  0  0  0
    1.2430    7.6360    0.8590 H   0  0  0  0  0
   -1.1110    6.5870    3.9490 H   0  0  0  0  0
    0.6730    6.7170    3.9940 H   0  0  0  0  0
   -2.5510    2.6150   -1.2530 H   0  0  0  0  0
   -4.8620    2.5190   -0.4120 H   0  0  0  0  0
   -2.8270   -1.4560   -2.4960 H   0  0  0  0  0
    4.5320    3.6430   -0.2880 H   0  0  0  0  0
    5.3290    3.2500    1.2550 H   0  0  0  0  0
    6.1460    2.8910   -0.2850 H   0  0  0  0  0
   -8.1790   -0.6690   -0.5020 H   0  0  0  0  0
   -6.9460   -1.2170   -1.6630 H   0  0  0  0  0
    3.1720   -3.3780    0.0090 H   0  0  0  0  0
    6.9590   -1.5640   -0.7400 H   0  0  0  0  0
    7.9230   -2.7640    1.1810 H   0  0  0  0  0
    3.7610    1.8570   -1.7830 H   0  0  0  0  0
    5.3000    0.9660   -1.7270 H   0  0  0  0  0
    2.1130    0.4530    0.0760 H   0  0  0  0  0
    1.9960   -1.2450   -0.4450 H   0  0  0  0  0
    1.5370    1.1600   -2.2650 H   0  0  0  0  0
    1.1290    4.8170   -0.6020 H   0  0  0  0  0
    1.9000    5.4600    1.6330 H   0  0  0  0  0
    0.3990    4.4430    3.2700 H   0  0  0  0  0
   -1.0530    4.8390    2.2890 H   0  0  0  0  0
   -0.9080    1.6630   -2.7620 H   0  0  0  0  0
   -1.0240   -0.0350   -3.2830 H   0  0  0  0  0
   -5.1360   -1.5610   -1.6510 H   0  0  0  0  0
    3.5730    1.5860    0.7100 H   0  0  0  0  0
    5.6740    0.9150    1.9200 H   0  0  0  0  0
    4.9460   -0.4180    0.9910 H   0  0  0  0  0
    6.3750    0.4330    0.3560 H   0  0  0  0  0
   -7.3390   -4.2270    2.3040 H   0  0  0  0  0
   -6.0280   -4.8330    1.2640 H   0  0  0  0  0
   -4.4900   -4.0690    1.2200 H   0  0  0  0  0
   -4.1330   -2.6360    2.2130 H   0  0  0  0  0
   -7.6950   -5.9850   -0.1660 H   0  0  0  0  0
   -7.8160   -6.5320    1.5230 H   0  0  0  0  0
   -9.0060   -5.3780    0.8740 H   0  0  0  0  0
   -2.0460   -3.6690    1.3590 H   0  0  0  0  0
   -2.6320   -3.4730   -0.3100 H   0  0  0  0  0
   -2.2750   -2.0390    0.6830 H   0  0  0  0  0
    4.8110   -4.1090    4.1000 H   0  0  0  0  0
    5.1220   -5.8470    3.7880 H   0  0  0  0  0
   -0.4910    0.9450    0.6500 H   0  0  0  0  0
    1.0770   -1.6780   -2.6690 H   0  0  0  0  0
  1 24  1  0  0  0
  1 35  1  0  0  0
  1 51  1  0  0  0
  2 41  1  0  0  0
  2 21  1  0  0  0
  2 52  1  0  0  0
  2 53  1  0  0  0
  3 22  1  0  0  0
  3 54  1  0  0  0
  4 23  1  0  0  0
  4 55  1  0  0  0
  4 56  1  0  0  0
  5  6  1  0  0  0
  5 57  1  0  0  0
  6  7  2  0  0  0
  6 58  1  0  0  0
  7 44  1  0  0  0
  8 26  2  0  0  0
  8 59  1  0  0  0
  9 27  1  0  0  0
  9 60  1  0  0  0
  9 61  1  0  0  0
  9 62  1  0  0  0
 10 49  1  0  0  0
 10 63  1  0  0  0
 10 64  1  0  0  0
 11 16  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 65  1  0  0  0
 14 50  1  0  0  0
 15 14  2  0  0  0
 15 66  1  0  0  0
 16 15  1  0  0  0
 16 67  1  0  0  0
 17 27  1  0  0  0
 17 34  1  0  0  0
 17 68  1  0  0  0
 17 69  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 18 70  1  0  0  0
 18 71  1  0  0  0
 19  1  1  0  0  0
 19 72  1  0  0  0
 20 40  1  0  0  0
 20 39  2  0  0  0
 21 22  1  0  0  0
 21 73  1  0  0  0
 22 23  1  0  0  0
 22 74  1  0  0  0
 23 75  1  0  0  0
 23 76  1  0  0  0
 24 25  1  0  0  0
 24 77  1  0  0  0
 24 78  1  0  0  0
 25  5  2  0  0  0
 25  8  1  0  0  0
 26  7  1  0  0  0
 26 79  1  0  0  0
 27 28  1  0  0  0
 27 80  1  0  0  0
 28 81  1  0  0  0
 28 82  1  0  0  0
 28 83  1  0  0  0
 29 31  1  0  0  0
 29 46  1  0  0  0
 29 84  1  0  0  0
 29 85  1  0  0  0
 30 32  1  0  0  0
 30 86  1  0  0  0
 30 87  1  0  0  0
 31 88  1  0  0  0
 31 89  1  0  0  0
 31 90  1  0  0  0
 32 91  1  0  0  0
 32 92  1  0  0  0
 32 93  1  0  0  0
 33 45  1  0  0  0
 33 43  1  0  0  0
 33 94  1  0  0  0
 33 95  1  0  0  0
 34 50  1  0  0  0
 35 20  1  0  0  0
 35 96  1  0  0  0
 38 19  1  0  0  0
 38 97  1  0  0  0
 40 21  1  0  0  0
 41  3  1  0  0  0
 42  4  1  0  0  0
 42  3  1  0  0  0
 43 12  1  0  0  0
 44 10  1  0  0  0
 45 11  1  0  0  0
 47 30  1  0  0  0
 49 46  1  0  0  0
 49 48  2  0  0  0
 49 47  1  0  0  0
 50 37  2  0  0  0
 50 36  2  0  0  0
M  END
$$$$
