A1CSQ
  CCTOOLS-0717261001

102108  0  0  1  0  0  0  0  0999 V2000
    8.9100   -3.0960   -2.6730 N   0  0  0  0  0
    8.9760   -1.3800   -1.0760 N   0  0  0  0  0
   -7.8700    0.6880   -0.2070 C   0  0  0  0  0
   -8.2210   -0.0630   -2.4540 C   0  0  0  0  0
    7.6650    1.9880   -0.3490 C   0  0  0  0  0
   -8.1580   -0.3280   -1.0990 C   0  0  0  0  0
   10.1080    0.7130   -0.6640 C   0  0  0  0  0
   -7.7130    2.2410   -2.0260 C   0  0  0  0  0
    8.6000   -4.0210   -1.7450 C   0  0  0  0  0
    8.9790   -1.7930   -2.3540 C   0  0  0  0  0
    8.2280   -3.5910   -0.3490 C   0  0  0  0  0
    1.2070    0.7550    1.4530 C   0  0  0  0  0
    2.9700    1.0710    3.7710 C   0  0  0  0  0
    2.6510    0.2500    1.4330 C   0  0  0  0  0
    3.4720    2.5750    1.8400 C   0  0  0  0  0
    5.4860    0.6510    0.8880 C   0  0  0  0  0
   -1.9010   -0.9450    2.8170 C   0  0  0  0  0
    8.8550    2.7070   -0.2260 C   0  0  0  0  0
   -7.6500    1.9740   -0.6690 C   0  0  0  0  0
   -7.9960    1.2200   -2.9200 C   0  0  0  0  0
   -8.4280   -3.9140    1.0730 C   0  0  0  0  0
    6.3650    2.6710   -0.1810 C   0  0  0  0  0
   -9.5880   -2.9580    1.0710 C   0  0  0  0  0
    1.5260    1.5760    3.7910 C   0  0  0  0  0
   10.0670    2.0660   -0.3840 C   0  0  0  0  0
    4.9560    0.6220    2.3240 C   0  0  0  0  0
    9.0320   -2.3440    0.0250 C   0  0  0  0  0
    3.9860    2.6260    0.3980 C   0  0  0  0  0
   -2.8690    0.9720    1.7010 C   0  0  0  0  0
    7.7060    0.6230   -0.6360 C   0  0  0  0  0
   -2.7110   -1.8800    1.9160 C   0  0  0  0  0
   -3.6800    0.0370    0.8000 C   0  0  0  0  0
   -8.4020   -1.7260   -0.5930 C   0  0  0  0  0
    0.6650    0.6950    2.8830 C   0  0  0  0  0
   -7.0620   -2.4110   -0.3060 C   0  0  0  0  0
    3.5120    1.1300    2.3420 C   0  0  0  0  0
   11.4360    0.0220   -0.8340 C   0  0  0  0  0
   -0.7790    1.2000    2.9020 C   0  0  0  0  0
   -6.1850   -1.4790    0.5320 C   0  0  0  0  0
   -4.8020   -2.1070    0.7150 C   0  0  0  0  0
    8.9290   -0.0100   -0.7930 C   0  0  0  0  0
   -7.5000    3.4960   -2.4790 F   0  0  0  0  0
   -7.2850   -3.6550    0.4250 N   0  0  0  0  0
    5.3180    2.0070    0.3490 N   0  0  0  0  0
   -1.6210    0.3050    2.0970 N   0  0  0  0  0
   -3.9600   -1.2130    1.5200 N   0  0  0  0  0
    8.6210   -5.1980   -2.0330 O   0  0  0  0  0
   -8.5280   -4.9550    1.6870 O   0  0  0  0  0
    9.0460   -0.9670   -3.2430 O   0  0  0  0  0
    6.2400    3.8320   -0.5200 O   0  0  0  0  0
   -9.1540   -1.6710    0.6240 O   0  0  0  0  0
   -7.2970    3.2510    0.4530 CL  0  0  0  0  0
   -8.0750    1.5530   -4.6220 CL  0  0  0  0  0
    9.0890   -3.3750   -3.5840 H   0  0  0  0  0
   -7.8210    0.4800    0.8520 H   0  0  0  0  0
   -8.4460   -0.8580   -3.1490 H   0  0  0  0  0
    7.1630   -3.3630   -0.3100 H   0  0  0  0  0
    8.4550   -4.3950    0.3520 H   0  0  0  0  0
    1.1770    1.7840    1.0960 H   0  0  0  0  0
    0.5940    0.1270    0.8060 H   0  0  0  0  0
    3.5830    1.6990    4.4180 H   0  0  0  0  0
    3.0000    0.0420    4.1290 H   0  0  0  0  0
    2.6810   -0.7800    1.7900 H   0  0  0  0  0
    3.0370    0.2930    0.4150 H   0  0  0  0  0
    4.1030    3.1980    2.4740 H   0  0  0  0  0
    2.4460    2.9430    1.8740 H   0  0  0  0  0
    6.5430    0.3850    0.8830 H   0  0  0  0  0
    4.9280   -0.0590    0.2770 H   0  0  0  0  0
   -2.4710   -0.7250    3.7200 H   0  0  0  0  0
   -0.9610   -1.4260    3.0890 H   0  0  0  0  0
    8.8270    3.7640   -0.0080 H   0  0  0  0  0
  -10.3640   -3.3310    0.4030 H   0  0  0  0  0
   -9.9890   -2.8740    2.0820 H   0  0  0  0  0
    1.1400    1.5340    4.8090 H   0  0  0  0  0
    1.4960    2.6050    3.4330 H   0  0  0  0  0
   10.9870    2.6240   -0.2890 H   0  0  0  0  0
    4.9860   -0.4000    2.7030 H   0  0  0  0  0
    5.5740    1.2620    2.9540 H   0  0  0  0  0
   10.0680   -2.6240    0.2160 H   0  0  0  0  0
    8.6070   -1.8930    0.9220 H   0  0  0  0  0
    3.3050    2.0790   -0.2530 H   0  0  0  0  0
    4.0530    3.6640    0.0710 H   0  0  0  0  0
   -2.6360    1.8880    1.1580 H   0  0  0  0  0
   -3.4500    1.2140    2.5910 H   0  0  0  0  0
    6.7890    0.0630   -0.7370 H   0  0  0  0  0
   -2.1300   -2.1210    1.0260 H   0  0  0  0  0
   -2.9440   -2.7960    2.4580 H   0  0  0  0  0
   -4.6200    0.5190    0.5280 H   0  0  0  0  0
   -3.1100   -0.1820   -0.1030 H   0  0  0  0  0
   -8.9500   -2.2960   -1.3440 H   0  0  0  0  0
    0.6960   -0.3340    3.2400 H   0  0  0  0  0
   -6.5580   -2.6290   -1.2480 H   0  0  0  0  0
   11.7780   -0.3520    0.1310 H   0  0  0  0  0
   11.3260   -0.8120   -1.5280 H   0  0  0  0  0
   12.1660    0.7290   -1.2290 H   0  0  0  0  0
   -1.1440    1.2160    3.9290 H   0  0  0  0  0
   -0.8180    2.2070    2.4870 H   0  0  0  0  0
   -6.0840   -0.5200    0.0240 H   0  0  0  0  0
   -6.6460   -1.3270    1.5080 H   0  0  0  0  0
   -4.9030   -3.0660    1.2220 H   0  0  0  0  0
   -4.3400   -2.2600   -0.2610 H   0  0  0  0  0
   -6.5790   -4.3200    0.4410 H   0  0  0  0  0
  1 10  1  0  0  0
  1 54  1  0  0  0
  2 41  1  0  0  0
  2 10  1  0  0  0
  3 55  1  0  0  0
  4  6  2  0  0  0
  4 56  1  0  0  0
  5 22  1  0  0  0
  6  3  1  0  0  0
  6 33  1  0  0  0
  7 25  2  0  0  0
  7 41  1  0  0  0
  8 19  1  0  0  0
  9  1  1  0  0  0
 10 49  2  0  0  0
 11  9  1  0  0  0
 11 27  1  0  0  0
 11 57  1  0  0  0
 11 58  1  0  0  0
 12 14  1  0  0  0
 12 59  1  0  0  0
 12 60  1  0  0  0
 13 36  1  0  0  0
 13 61  1  0  0  0
 13 62  1  0  0  0
 14 36  1  0  0  0
 14 63  1  0  0  0
 14 64  1  0  0  0
 15 28  1  0  0  0
 15 36  1  0  0  0
 15 65  1  0  0  0
 15 66  1  0  0  0
 16 67  1  0  0  0
 16 68  1  0  0  0
 17 45  1  0  0  0
 17 69  1  0  0  0
 17 70  1  0  0  0
 18  5  2  0  0  0
 18 71  1  0  0  0
 19 52  1  0  0  0
 19  3  2  0  0  0
 20  8  2  0  0  0
 20  4  1  0  0  0
 21 48  2  0  0  0
 21 43  1  0  0  0
 22 50  2  0  0  0
 23 21  1  0  0  0
 23 72  1  0  0  0
 23 73  1  0  0  0
 24 13  1  0  0  0
 24 74  1  0  0  0
 24 75  1  0  0  0
 25 18  1  0  0  0
 25 76  1  0  0  0
 26 16  1  0  0  0
 26 77  1  0  0  0
 26 78  1  0  0  0
 27  2  1  0  0  0
 27 79  1  0  0  0
 27 80  1  0  0  0
 28 44  1  0  0  0
 28 81  1  0  0  0
 28 82  1  0  0  0
 29 45  1  0  0  0
 29 83  1  0  0  0
 29 84  1  0  0  0
 30  5  1  0  0  0
 30 85  1  0  0  0
 31 17  1  0  0  0
 31 86  1  0  0  0
 31 87  1  0  0  0
 32 29  1  0  0  0
 32 88  1  0  0  0
 32 89  1  0  0  0
 33 35  1  0  0  0
 33 90  1  0  0  0
 34 24  1  0  0  0
 34 12  1  0  0  0
 34 91  1  0  0  0
 35 43  1  0  0  0
 35 39  1  0  0  0
 35 92  1  0  0  0
 36 26  1  0  0  0
 37  7  1  0  0  0
 37 93  1  0  0  0
 37 94  1  0  0  0
 37 95  1  0  0  0
 38 34  1  0  0  0
 38 96  1  0  0  0
 38 97  1  0  0  0
 39 40  1  0  0  0
 39 98  1  0  0  0
 39 99  1  0  0  0
 40 46  1  0  0  0
 40100  1  0  0  0
 40101  1  0  0  0
 41 30  2  0  0  0
 42  8  1  0  0  0
 43102  1  0  0  0
 44 22  1  0  0  0
 44 16  1  0  0  0
 45 38  1  0  0  0
 46 31  1  0  0  0
 46 32  1  0  0  0
 47  9  2  0  0  0
 51 23  1  0  0  0
 51 33  1  0  0  0
 53 20  1  0  0  0
M  END
$$$$
