DKE
  CCTOOLS-0403261050

144152  0  0  1  0  0  0  0  0999 V2000
    8.2720   -4.2490    1.2010 C   0  0  0  0  0
    6.4890   -0.3930    3.1730 C   0  0  0  0  0
    9.6300   -5.9410    0.0840 C   0  0  0  0  0
    8.4770   -4.7270    4.8260 C   0  0  0  0  0
   10.1290   -2.9380   -1.9000 C   0  0  0  0  0
    8.2300   -3.7550    2.6490 C   0  0  0  0  0
    7.1720   -2.6860    2.7680 C   0  0  0  0  0
    7.5150   -1.4450    3.0890 C   0  0  0  0  0
    9.0800   -3.2700    0.3440 C   0  0  0  0  0
    6.8600    0.8640    3.3870 C   0  0  0  0  0
    8.3180    1.1960    3.5770 C   0  0  0  0  0
    5.8330    1.9690    3.4090 C   0  0  0  0  0
    6.3110    3.0830    2.5100 C   0  0  0  0  0
    9.2370   -3.8550   -1.0610 C   0  0  0  0  0
    6.9880    2.7780    1.3440 C   0  0  0  0  0
    7.4430    3.7970    0.5180 C   0  0  0  0  0
    7.2110    5.1230    0.8610 C   0  0  0  0  0
    6.5270    5.4230    2.0290 C   0  0  0  0  0
    6.0780    4.4000    2.8530 C   0  0  0  0  0
    5.5850    6.9550    3.5850 C   0  0  0  0  0
   10.9710   -3.7820   -2.8590 C   0  0  0  0  0
    9.2540   -1.9720   -2.7030 C   0  0  0  0  0
    8.3620    2.1940   -0.9740 C   0  0  0  0  0
    8.6310    4.5630   -1.5340 C   0  0  0  0  0
    9.1480    1.8570   -2.2150 C   0  0  0  0  0
    8.6110    0.5630   -2.8290 C   0  0  0  0  0
    9.7000   -0.5100   -2.7870 C   0  0  0  0  0
   10.9950   -0.1170   -2.0740 C   0  0  0  0  0
    6.2550    0.5570   -2.4690 C   0  0  0  0  0
    5.0120    0.1300   -1.7320 C   0  0  0  0  0
    3.7860    0.7750   -2.3830 C   0  0  0  0  0
    2.5240    0.3410   -1.6350 C   0  0  0  0  0
    1.2990    0.9860   -2.2860 C   0  0  0  0  0
    0.0560    0.5590   -1.5490 C   0  0  0  0  0
   -0.8790    1.3700   -0.9990 C   0  0  0  0  0
   -3.0130    0.9860    0.2640 C   0  0  0  0  0
   -4.2420    0.3400   -0.3790 C   0  0  0  0  0
   -5.5020    0.7900    0.3630 C   0  0  0  0  0
   -7.9080    0.4260    0.2390 C   0  0  0  0  0
   -9.0950   -0.1970   -0.3820 C   0  0  0  0  0
   -8.9320   -1.0520   -1.4830 C   0  0  0  0  0
  -10.0020   -1.6450   -2.0830 C   0  0  0  0  0
  -11.2980   -1.4090   -1.6060 C   0  0  0  0  0
  -11.4840   -0.5190   -0.4560 C   0  0  0  0  0
  -10.3560    0.0670    0.1340 C   0  0  0  0  0
  -12.8210   -0.2500    0.0680 C   0  0  0  0  0
  -13.5460   -1.2440    0.8710 C   0  0  0  0  0
  -14.8320   -0.9150    1.3440 C   0  0  0  0  0
  -14.7670    1.2310    0.3430 C   0  0  0  0  0
  -13.5030    1.0330   -0.1780 C   0  0  0  0  0
  -15.3950    2.3580    0.1330 C   0  0  0  0  0
  -14.7480    3.4540   -0.6720 C   0  0  0  0  0
  -13.4580    3.2540   -1.1980 C   0  0  0  0  0
  -12.8350    2.0660   -0.9660 C   0  0  0  0  0
  -12.9820   -2.4890    1.1630 C   0  0  0  0  0
  -13.6830   -3.3920    1.9130 C   0  0  0  0  0
  -14.9550   -3.0760    2.3840 C   0  0  0  0  0
  -15.5270   -1.8440    2.1030 C   0  0  0  0  0
  -12.4530   -2.0440   -2.2480 C   0  0  0  0  0
    8.1440    3.4930   -0.6590 N   0  0  0  0  0
   -1.8070    0.5550   -0.4470 N   0  0  0  0  0
    8.9010   -5.5690    1.1460 N   0  0  0  0  0
   -1.4480   -0.6640   -0.6540 N   0  0  0  0  0
   -0.3450   -0.6960   -1.3140 N   0  0  0  0  0
   -6.6790    0.1720   -0.2520 N   0  0  0  0  0
    9.8330   -5.1700   -0.9860 O   0  0  0  0  0
   10.1360   -7.0460    0.0970 O   0  0  0  0  0
    6.9400   -4.3360    0.6910 O   0  0  0  0  0
    6.2960    6.7190    2.3680 O   0  0  0  0  0
    7.9290    1.3110   -0.2640 O   0  0  0  0  0
    7.4570    0.1110   -2.0720 O   0  0  0  0  0
    9.7990   -1.4080   -3.8960 O   0  0  0  0  0
    6.1700    1.3000   -3.4180 O   0  0  0  0  0
   -8.0400    1.1680    1.1930 O   0  0  0  0  0
  -15.3800    0.2840    1.0630 O   0  0  0  0  0
  -15.3340    4.5010   -0.8660 O   0  0  0  0  0
  -15.6410   -3.9820    3.1270 O   0  0  0  0  0
  -13.5750   -1.8340   -1.8270 O   0  0  0  0  0
  -12.2710   -2.8620   -3.3060 O   0  0  0  0  0
    7.9140   -4.8440    3.5180 O   0  0  0  0  0
    7.7760    6.4000   -0.1700 CL  0  0  0  0  0
    5.4450   -0.6440    3.0670 H   0  0  0  0  0
    9.5630   -4.6800    4.7510 H   0  0  0  0  0
    8.1060   -3.8180    5.3010 H   0  0  0  0  0
    8.1900   -5.5920    5.4240 H   0  0  0  0  0
   10.7870   -2.3700   -1.2410 H   0  0  0  0  0
    9.2000   -3.3400    2.9210 H   0  0  0  0  0
    6.1360   -2.9340    2.5910 H   0  0  0  0  0
    8.5480   -1.2050    3.2960 H   0  0  0  0  0
    8.5550   -2.3160    0.2860 H   0  0  0  0  0
   10.0630   -3.1190    0.7890 H   0  0  0  0  0
    8.8640    0.9720    2.6610 H   0  0  0  0  0
    8.4220    2.2550    3.8120 H   0  0  0  0  0
    8.7220    0.6000    4.3960 H   0  0  0  0  0
    4.8780    1.5890    3.0460 H   0  0  0  0  0
    5.7190    2.3430    4.4270 H   0  0  0  0  0
    8.2550   -3.9280   -1.5310 H   0  0  0  0  0
    7.1630    1.7470    1.0760 H   0  0  0  0  0
    5.5450    4.6340    3.7630 H   0  0  0  0  0
    5.4690    8.0280    3.7360 H   0  0  0  0  0
    4.6020    6.4880    3.5280 H   0  0  0  0  0
    6.1420    6.5290    4.4190 H   0  0  0  0  0
   11.6060   -3.1280   -3.4560 H   0  0  0  0  0
   11.5940   -4.4690   -2.2860 H   0  0  0  0  0
   10.3130   -4.3490   -3.5160 H   0  0  0  0  0
    8.1830   -2.1760   -2.6810 H   0  0  0  0  0
    9.3040    5.2120   -0.9730 H   0  0  0  0  0
    9.1670    4.1270   -2.3770 H   0  0  0  0  0
    7.7860    5.1450   -1.9010 H   0  0  0  0  0
    9.0500    2.6680   -2.9370 H   0  0  0  0  0
   10.1980    1.7270   -1.9560 H   0  0  0  0  0
    8.3190    0.7440   -3.8630 H   0  0  0  0  0
   10.7680    0.1840   -1.0510 H   0  0  0  0  0
   11.6740   -0.9690   -2.0590 H   0  0  0  0  0
   11.4630    0.7130   -2.6020 H   0  0  0  0  0
    4.9180   -0.9550   -1.7760 H   0  0  0  0  0
    5.0800    0.4470   -0.6920 H   0  0  0  0  0
    3.8800    1.8600   -2.3390 H   0  0  0  0  0
    3.7190    0.4580   -3.4240 H   0  0  0  0  0
    2.4300   -0.7440   -1.6790 H   0  0  0  0  0
    2.5920    0.6580   -0.5940 H   0  0  0  0  0
    1.3930    2.0710   -2.2420 H   0  0  0  0  0
    1.2310    0.6690   -3.3260 H   0  0  0  0  0
   -0.8820    2.4500   -1.0010 H   0  0  0  0  0
   -3.1010    2.0710    0.2070 H   0  0  0  0  0
   -2.9480    0.6810    1.3090 H   0  0  0  0  0
   -4.3080    0.6450   -1.4240 H   0  0  0  0  0
   -4.1550   -0.7450   -0.3220 H   0  0  0  0  0
   -5.4370    0.4860    1.4080 H   0  0  0  0  0
   -5.5900    1.8750    0.3060 H   0  0  0  0  0
   -7.9390   -1.2430   -1.8620 H   0  0  0  0  0
   -9.8510   -2.2980   -2.9290 H   0  0  0  0  0
  -10.4670    0.7230    0.9850 H   0  0  0  0  0
  -15.6410    2.7770    1.1080 H   0  0  0  0  0
  -12.9750    4.0260   -1.7790 H   0  0  0  0  0
  -11.8460    1.8880   -1.3630 H   0  0  0  0  0
  -11.9960   -2.7370    0.7990 H   0  0  0  0  0
  -13.2500   -4.3550    2.1400 H   0  0  0  0  0
  -16.5140   -1.6100    2.4740 H   0  0  0  0  0
    8.7890   -6.1830    1.8880 H   0  0  0  0  0
   -6.5740   -0.4200   -1.0140 H   0  0  0  0  0
    6.3700   -4.9450    1.1800 H   0  0  0  0  0
  -15.4840   -3.9110    4.0780 H   0  0  0  0  0
  -13.0910   -3.2330   -3.6610 H   0  0  0  0  0
  1 62  1  0  0  0
  1  9  1  0  0  0
  2  8  1  0  0  0
  2 10  2  0  0  0
  2 82  1  0  0  0
  3 67  2  0  0  0
  3 66  1  0  0  0
  4 80  1  0  0  0
  4 83  1  0  0  0
  4 84  1  0  0  0
  4 85  1  0  0  0
  5 22  1  0  0  0
  5 21  1  0  0  0
  5 86  1  0  0  0
  6  1  1  0  0  0
  6 87  1  0  0  0
  7  6  1  0  0  0
  7  8  2  0  0  0
  7 88  1  0  0  0
  8 89  1  0  0  0
  9 14  1  0  0  0
  9 90  1  0  0  0
  9 91  1  0  0  0
 10 11  1  0  0  0
 11 92  1  0  0  0
 11 93  1  0  0  0
 11 94  1  0  0  0
 12 10  1  0  0  0
 12 13  1  0  0  0
 12 95  1  0  0  0
 12 96  1  0  0  0
 13 19  2  0  0  0
 13 15  1  0  0  0
 14  5  1  0  0  0
 14 97  1  0  0  0
 15 16  2  0  0  0
 15 98  1  0  0  0
 16 17  1  0  0  0
 16 60  1  0  0  0
 17 81  1  0  0  0
 18 69  1  0  0  0
 18 17  2  0  0  0
 19 18  1  0  0  0
 19 99  1  0  0  0
 20100  1  0  0  0
 20101  1  0  0  0
 20102  1  0  0  0
 21103  1  0  0  0
 21104  1  0  0  0
 21105  1  0  0  0
 22 72  1  0  0  0
 22106  1  0  0  0
 23 25  1  0  0  0
 23 70  2  0  0  0
 24 60  1  0  0  0
 24107  1  0  0  0
 24108  1  0  0  0
 24109  1  0  0  0
 25110  1  0  0  0
 25111  1  0  0  0
 26 27  1  0  0  0
 26 25  1  0  0  0
 26112  1  0  0  0
 27 22  1  0  0  0
 27 72  1  0  0  0
 28 27  1  0  0  0
 28113  1  0  0  0
 28114  1  0  0  0
 28115  1  0  0  0
 29 71  1  0  0  0
 29 73  2  0  0  0
 30 29  1  0  0  0
 30116  1  0  0  0
 30117  1  0  0  0
 31 30  1  0  0  0
 31118  1  0  0  0
 31119  1  0  0  0
 32 33  1  0  0  0
 32 31  1  0  0  0
 32120  1  0  0  0
 32121  1  0  0  0
 33122  1  0  0  0
 33123  1  0  0  0
 34 35  2  0  0  0
 34 33  1  0  0  0
 35124  1  0  0  0
 36 37  1  0  0  0
 36125  1  0  0  0
 36126  1  0  0  0
 37 38  1  0  0  0
 37127  1  0  0  0
 37128  1  0  0  0
 38129  1  0  0  0
 38130  1  0  0  0
 39 40  1  0  0  0
 40 41  2  0  0  0
 40 45  1  0  0  0
 41 42  1  0  0  0
 41131  1  0  0  0
 42 43  2  0  0  0
 42132  1  0  0  0
 43 59  1  0  0  0
 44 43  1  0  0  0
 44 46  1  0  0  0
 45 44  2  0  0  0
 45133  1  0  0  0
 46 50  2  0  0  0
 46 47  1  0  0  0
 47 55  2  0  0  0
 47 48  1  0  0  0
 48 58  2  0  0  0
 49 51  2  0  0  0
 49 75  1  0  0  0
 50 49  1  0  0  0
 51134  1  0  0  0
 52 76  2  0  0  0
 52 51  1  0  0  0
 53 52  1  0  0  0
 53135  1  0  0  0
 54 53  2  0  0  0
 54 50  1  0  0  0
 54136  1  0  0  0
 55 56  1  0  0  0
 55137  1  0  0  0
 56 57  2  0  0  0
 56138  1  0  0  0
 57 77  1  0  0  0
 58 57  1  0  0  0
 58139  1  0  0  0
 59 79  1  0  0  0
 60 23  1  0  0  0
 61 36  1  0  0  0
 61 35  1  0  0  0
 62  3  1  0  0  0
 62140  1  0  0  0
 63 64  2  0  0  0
 63 61  1  0  0  0
 64 34  1  0  0  0
 65 39  1  0  0  0
 65 38  1  0  0  0
 65141  1  0  0  0
 66 14  1  0  0  0
 68  1  1  0  0  0
 68142  1  0  0  0
 69 20  1  0  0  0
 71 26  1  0  0  0
 74 39  2  0  0  0
 75 48  1  0  0  0
 77143  1  0  0  0
 78 59  2  0  0  0
 79144  1  0  0  0
 80  6  1  0  0  0
M  END
$$$$
