8TB
  CCTOOLS-0919241035

 91 97  0  0  1  0  0  0  0  0999 V2000
    3.6680   -1.2150   -0.2040 C   0  0  0  0  0
    4.9950   -0.6520    0.2370 C   0  0  0  0  0
    4.7710    0.6820    0.9530 C   0  0  0  0  0
    6.8220    2.1140    0.8520 C   0  0  0  0  0
    7.7220    1.1130    3.2670 C   0  0  0  0  0
    8.0170    2.5640    1.3850 C   0  0  0  0  0
   -2.0450   -0.0480   -0.9600 C   0  0  0  0  0
   -4.0290    1.4660   -0.7560 C   0  0  0  0  0
   -2.9180    1.3790   -2.8470 C   0  0  0  0  0
   -4.1370    2.3290   -2.9700 C   0  0  0  0  0
   -0.8990   -2.8170   -3.0740 C   0  0  0  0  0
   -4.5830    0.7530    0.3910 C   0  0  0  0  0
   -5.9610   -1.4310    1.5440 C   0  0  0  0  0
   -1.0460   -0.7240   -1.8640 C   0  0  0  0  0
    6.0750    1.1670    1.5300 C   0  0  0  0  0
    6.5260    0.6680    2.7370 C   0  0  0  0  0
    8.4660    2.0630    2.5930 C   0  0  0  0  0
   -6.3650   -0.0300    1.9240 C   0  0  0  0  0
    1.7180   -3.5410   -0.6370 C   0  0  0  0  0
   -0.4710   -3.0290   -1.6030 C   0  0  0  0  0
    0.8100   -3.8070   -1.5320 C   0  0  0  0  0
    1.8180   -2.2720    2.7880 C   0  0  0  0  0
   -7.8870    0.1420    1.7760 C   0  0  0  0  0
    3.1950   -2.0860    2.1040 C   0  0  0  0  0
    0.6250   -1.3830   -0.0900 C   0  0  0  0  0
    5.4620    0.4100   -1.9060 C   0  0  0  0  0
    6.3410    0.6270   -3.1100 C   0  0  0  0  0
    1.0340   -3.0560    1.7030 C   0  0  0  0  0
    1.5710   -2.4540    0.3870 C   0  0  0  0  0
   -8.0750    1.5590    1.2080 C   0  0  0  0  0
   -8.8190    2.4390    2.2150 C   0  0  0  0  0
   -6.6470    2.1050    0.9730 C   0  0  0  0  0
   -6.6590    2.9090   -0.2710 C   0  0  0  0  0
   -6.0490    2.8120   -1.3720 C   0  0  0  0  0
   -5.0470    1.8430   -1.8240 C   0  0  0  0  0
   -1.7860   -1.5470   -2.9440 C   0  0  0  0  0
   -5.7550    0.9500    0.9900 N   0  0  0  0  0
   -2.9160    0.8460   -1.4670 N   0  0  0  0  0
   -0.2300   -1.6650   -1.0910 N   0  0  0  0  0
    5.8490   -0.4400   -0.9340 N   0  0  0  0  0
    2.8820   -1.8600    0.6810 N   0  0  0  0  0
   -5.8570   -2.3790    2.4890 O   0  0  0  0  0
   -5.7310   -1.7020    0.3890 O   0  0  0  0  0
    0.6320   -0.2830    0.4220 O   0  0  0  0  0
    3.3060   -1.0820   -1.3540 O   0  0  0  0  0
    4.4060    0.9990   -1.8100 O   0  0  0  0  0
   -2.0650   -0.3090    0.2240 O   0  0  0  0  0
   -3.8900   -0.1280    0.8550 O   0  0  0  0  0
    6.2570    2.7430   -0.6650 CL  0  0  0  0  0
    5.4780   -1.3530    0.9180 H   0  0  0  0  0
    4.3920    1.4160    0.2420 H   0  0  0  0  0
    4.0460    0.5460    1.7560 H   0  0  0  0  0
    8.0740    0.7230    4.2110 H   0  0  0  0  0
    8.5990    3.3050    0.8580 H   0  0  0  0  0
   -3.6520    2.4150   -0.3740 H   0  0  0  0  0
   -3.0120    0.5600   -3.5610 H   0  0  0  0  0
   -1.9950    1.9290   -3.0340 H   0  0  0  0  0
   -3.8380    3.3660   -2.8160 H   0  0  0  0  0
   -4.6290    2.2050   -3.9350 H   0  0  0  0  0
   -0.0340   -2.6290   -3.7110 H   0  0  0  0  0
   -1.4770   -3.6650   -3.4410 H   0  0  0  0  0
   -0.4090    0.0230   -2.3370 H   0  0  0  0  0
    5.9450   -0.0750    3.2650 H   0  0  0  0  0
    9.4010    2.4110    3.0070 H   0  0  0  0  0
   -6.0590    0.1850    2.9470 H   0  0  0  0  0
    2.6220   -4.1320   -0.6310 H   0  0  0  0  0
   -1.2590   -3.5290   -1.0390 H   0  0  0  0  0
    0.9830   -4.6060   -2.2380 H   0  0  0  0  0
    1.9120   -2.8580    3.7020 H   0  0  0  0  0
    1.3490   -1.3090    2.9900 H   0  0  0  0  0
   -8.2860   -0.6000    1.0840 H   0  0  0  0  0
   -8.3740    0.0540    2.7470 H   0  0  0  0  0
    3.7120   -1.2210    2.5200 H   0  0  0  0  0
    3.8020   -2.9830    2.2230 H   0  0  0  0  0
    5.8660    1.3420   -3.7820 H   0  0  0  0  0
    7.3070    1.0170   -2.7900 H   0  0  0  0  0
    6.4850   -0.3190   -3.6310 H   0  0  0  0  0
    1.2570   -4.1210    1.7590 H   0  0  0  0  0
   -0.0380   -2.8820    1.8000 H   0  0  0  0  0
   -8.6230    1.5180    0.2660 H   0  0  0  0  0
   -8.8850    3.4560    1.8290 H   0  0  0  0  0
   -9.8220    2.0430    2.3710 H   0  0  0  0  0
   -8.2780    2.4430    3.1620 H   0  0  0  0  0
   -6.3850    2.7610    1.8020 H   0  0  0  0  0
   -7.3300    3.7550   -0.2270 H   0  0  0  0  0
   -6.3090    3.5660   -2.1000 H   0  0  0  0  0
   -5.5630    0.9390   -2.1480 H   0  0  0  0  0
   -1.8210   -1.0030   -3.8870 H   0  0  0  0  0
   -2.7890   -1.8090   -2.6100 H   0  0  0  0  0
    6.6930   -0.9120   -1.0100 H   0  0  0  0  0
   -5.5950   -3.2630    2.1970 H   0  0  0  0  0
  1 41  1  0  0  0
  2  1  1  0  0  0
  2 40  1  0  0  0
  2 50  1  0  0  0
  3  2  1  0  0  0
  3 51  1  0  0  0
  3 52  1  0  0  0
  4 49  1  0  0  0
  5 17  2  0  0  0
  5 16  1  0  0  0
  5 53  1  0  0  0
  6  4  2  0  0  0
  6 54  1  0  0  0
  7 47  2  0  0  0
  7 14  1  0  0  0
  8 12  1  0  0  0
  8 38  1  0  0  0
  8 55  1  0  0  0
  9 38  1  0  0  0
  9 56  1  0  0  0
  9 57  1  0  0  0
 10 35  1  0  0  0
 10  9  1  0  0  0
 10 58  1  0  0  0
 10 59  1  0  0  0
 11 20  1  0  0  0
 11 60  1  0  0  0
 11 61  1  0  0  0
 12 48  2  0  0  0
 13 18  1  0  0  0
 13 42  1  0  0  0
 14 36  1  0  0  0
 14 39  1  0  0  0
 14 62  1  0  0  0
 15  4  1  0  0  0
 15  3  1  0  0  0
 16 15  2  0  0  0
 16 63  1  0  0  0
 17  6  1  0  0  0
 17 64  1  0  0  0
 18 65  1  0  0  0
 19 21  2  0  0  0
 19 66  1  0  0  0
 20 21  1  0  0  0
 20 67  1  0  0  0
 21 68  1  0  0  0
 22 24  1  0  0  0
 22 28  1  0  0  0
 22 69  1  0  0  0
 22 70  1  0  0  0
 23 18  1  0  0  0
 23 71  1  0  0  0
 23 72  1  0  0  0
 24 73  1  0  0  0
 24 74  1  0  0  0
 25 39  1  0  0  0
 25 29  1  0  0  0
 26 27  1  0  0  0
 26 46  2  0  0  0
 27 75  1  0  0  0
 27 76  1  0  0  0
 27 77  1  0  0  0
 28 78  1  0  0  0
 28 79  1  0  0  0
 29 28  1  0  0  0
 29 19  1  0  0  0
 30 32  1  0  0  0
 30 23  1  0  0  0
 30 80  1  0  0  0
 31 30  1  0  0  0
 31 81  1  0  0  0
 31 82  1  0  0  0
 31 83  1  0  0  0
 32 37  1  0  0  0
 32 84  1  0  0  0
 33 32  1  0  0  0
 33 85  1  0  0  0
 34 33  2  0  0  0
 34 35  1  0  0  0
 34 86  1  0  0  0
 35  8  1  0  0  0
 35 87  1  0  0  0
 36 11  1  0  0  0
 36 88  1  0  0  0
 36 89  1  0  0  0
 37 12  1  0  0  0
 37 18  1  0  0  0
 38  7  1  0  0  0
 39 20  1  0  0  0
 40 26  1  0  0  0
 40 90  1  0  0  0
 41 24  1  0  0  0
 41 29  1  0  0  0
 42 91  1  0  0  0
 43 13  2  0  0  0
 44 25  2  0  0  0
 45  1  2  0  0  0
M  END
$$$$
