81Q
  CCTOOLS-0919241031

192192  0  0  1  0  0  0  0  0999 V2000
    2.2110    7.3030    2.7280 O   0  0  0  0  0
    0.8070    7.1380    2.9350 C   0  0  0  0  0
    0.1960    6.4130    1.7340 C   0  0  0  0  0
    0.8200    5.1100    1.5870 O   0  0  0  0  0
    1.8390    5.0170    0.7180 C   0  0  0  0  0
    2.4650    3.6760    0.4320 C   0  0  0  0  0
    3.6850    3.8650   -0.4720 C   0  0  0  0  0
    4.3840    2.5200   -0.6740 C   0  0  0  0  0
    5.6670    2.7270   -1.4810 C   0  0  0  0  0
    6.3040    1.3700   -1.7830 C   0  0  0  0  0
    7.6460    1.5820   -2.4880 C   0  0  0  0  0
    8.2280    0.2270   -2.8940 C   0  0  0  0  0
    9.6210    0.4290   -3.4940 C   0  0  0  0  0
   10.2040   -0.9260   -3.9000 C   0  0  0  0  0
   11.5970   -0.7230   -4.5000 C   0  0  0  0  0
   12.1790   -2.0780   -4.9060 C   0  0  0  0  0
   13.5720   -1.8750   -5.5060 C   0  0  0  0  0
   14.1550   -3.2300   -5.9120 C   0  0  0  0  0
   15.5470   -3.0280   -6.5120 C   0  0  0  0  0
   16.1300   -4.3830   -6.9190 C   0  0  0  0  0
    2.2540    6.0080    0.1660 O   0  0  0  0  0
    0.5710    6.3140    4.2020 C   0  0  0  0  0
    1.1410    6.9910    5.3240 O   0  0  0  0  0
   -0.9330    6.1370    4.4230 C   0  0  0  0  0
   -1.1530    5.3670    5.6070 O   0  0  0  0  0
   -1.5430    5.4120    3.2230 C   0  0  0  0  0
   -2.9480    5.2470    3.4290 O   0  0  0  0  0
   -1.3080    6.2360    1.9550 C   0  0  0  0  0
   -1.8780    5.5590    0.8340 O   0  0  0  0  0
   -2.9380    6.2500   -0.1620 P   0  0  0  0  0
   -3.2760    5.2410   -1.3700 O   0  0  0  0  0
   -4.1120    5.6000   -2.4720 C   0  0  0  0  0
   -4.8210    4.3510   -3.0010 C   0  0  0  0  0
   -5.6740    3.8020   -1.9620 O   0  0  0  0  0
   -6.7790    3.1530   -2.3610 C   0  0  0  0  0
   -7.7130    2.5560   -1.3390 C   0  0  0  0  0
   -8.8840    1.8780   -2.0530 C   0  0  0  0  0
   -9.8320    1.2730   -1.0160 C   0  0  0  0  0
  -10.9850    0.6050   -1.7190 C   0  0  0  0  0
  -11.3010   -0.6330   -1.4280 C   0  0  0  0  0
  -10.6590   -1.3180   -0.2500 C   0  0  0  0  0
  -11.7280   -1.7770    0.7080 C   0  0  0  0  0
  -11.7610   -3.0260    1.1040 C   0  0  0  0  0
  -10.6380   -3.9620    0.7380 C   0  0  0  0  0
  -10.1080   -4.6220    1.9840 C   0  0  0  0  0
  -10.0180   -5.9280    2.0460 C   0  0  0  0  0
  -10.2830   -6.7600    0.8180 C   0  0  0  0  0
   -9.1200   -7.6880    0.5790 C   0  0  0  0  0
   -9.3250   -8.9730    0.4370 C   0  0  0  0  0
  -10.7320   -9.5060    0.3430 C   0  0  0  0  0
  -10.8670  -10.3710   -0.9110 C   0  0  0  0  0
  -12.2950  -10.9120   -1.0070 C   0  0  0  0  0
  -12.4310  -11.7780   -2.2610 C   0  0  0  0  0
  -13.8590  -12.3180   -2.3560 C   0  0  0  0  0
   -7.0250    3.0470   -3.5390 O   0  0  0  0  0
   -3.7790    3.3080   -3.4100 C   0  0  0  0  0
   -2.8820    3.0790   -2.3210 O   0  0  0  0  0
   -1.9330    2.0380   -2.5600 C   0  0  0  0  0
   -1.1070    1.8000   -1.2930 C   0  0  0  0  0
   -0.0140    0.7700   -1.5830 C   0  0  0  0  0
    0.7360    0.4450   -0.2900 C   0  0  0  0  0
    1.7530   -0.6670   -0.5550 C   0  0  0  0  0
    2.4210   -1.0710    0.7600 C   0  0  0  0  0
    3.5180   -2.1010    0.4800 C   0  0  0  0  0
    4.2620   -2.4200    1.7780 C   0  0  0  0  0
    5.4300   -3.3610    1.4780 C   0  0  0  0  0
    6.2430   -3.5890    2.7540 C   0  0  0  0  0
    7.4110   -4.5300    2.4540 C   0  0  0  0  0
    8.2240   -4.7580    3.7300 C   0  0  0  0  0
    9.3920   -5.6990    3.4300 C   0  0  0  0  0
   10.2040   -5.9260    4.7070 C   0  0  0  0  0
   11.3720   -6.8680    4.4060 C   0  0  0  0  0
   12.1850   -7.0950    5.6830 C   0  0  0  0  0
   13.3530   -8.0370    5.3830 C   0  0  0  0  0
   14.1660   -8.2640    6.6590 C   0  0  0  0  0
   -4.1800    6.5630    0.5810 O   0  0  0  0  0
   -2.3110    7.6090   -0.7550 O   0  0  0  0  0
    2.6640    7.7560    3.4520 H   0  0  0  0  0
    0.3380    8.1160    3.0450 H   0  0  0  0  0
    0.3640    7.0000    0.8310 H   0  0  0  0  0
    2.7750    3.2130    1.3680 H   0  0  0  0  0
    1.7380    3.0350   -0.0680 H   0  0  0  0  0
    3.3640    4.2570   -1.4380 H   0  0  0  0  0
    4.3760    4.5680   -0.0070 H   0  0  0  0  0
    4.6310    2.0890    0.2970 H   0  0  0  0  0
    3.7210    1.8430   -1.2130 H   0  0  0  0  0
    5.4290    3.2330   -2.4170 H   0  0  0  0  0
    6.3640    3.3360   -0.9060 H   0  0  0  0  0
    6.4660    0.8280   -0.8510 H   0  0  0  0  0
    5.6420    0.7920   -2.4280 H   0  0  0  0  0
    7.4960    2.1940   -3.3770 H   0  0  0  0  0
    8.3360    2.0860   -1.8120 H   0  0  0  0  0
    8.3010   -0.4160   -2.0160 H   0  0  0  0  0
    7.5790   -0.2410   -3.6340 H   0  0  0  0  0
    9.5490    1.0710   -4.3720 H   0  0  0  0  0
   10.2710    0.8970   -2.7540 H   0  0  0  0  0
   10.2760   -1.5680   -3.0230 H   0  0  0  0  0
    9.5540   -1.3940   -4.6400 H   0  0  0  0  0
   11.5240   -0.0810   -5.3780 H   0  0  0  0  0
   12.2460   -0.2550   -3.7610 H   0  0  0  0  0
   12.2520   -2.7200   -4.0290 H   0  0  0  0  0
   11.5290   -2.5460   -5.6460 H   0  0  0  0  0
   13.4990   -1.2330   -6.3840 H   0  0  0  0  0
   14.2220   -1.4080   -4.7670 H   0  0  0  0  0
   14.2270   -3.8730   -5.0350 H   0  0  0  0  0
   13.5050   -3.6980   -6.6520 H   0  0  0  0  0
   15.4750   -2.3860   -7.3900 H   0  0  0  0  0
   16.1970   -2.5600   -5.7730 H   0  0  0  0  0
   15.4800   -4.8510   -7.6580 H   0  0  0  0  0
   17.1220   -4.2380   -7.3460 H   0  0  0  0  0
   16.2020   -5.0250   -6.0410 H   0  0  0  0  0
    1.0390    5.3360    4.0920 H   0  0  0  0  0
    1.0290    6.5250    6.1630 H   0  0  0  0  0
   -1.4010    7.1150    4.5340 H   0  0  0  0  0
   -0.7910    5.7680    6.4100 H   0  0  0  0  0
   -1.0750    4.4340    3.1120 H   0  0  0  0  0
   -1.7760    7.2140    2.0660 H   0  0  0  0  0
   -4.8540    6.3270   -2.1430 H   0  0  0  0  0
   -3.5030    6.0350   -3.2640 H   0  0  0  0  0
   -5.4280    4.6170   -3.8670 H   0  0  0  0  0
   -7.1750    1.8190   -0.7420 H   0  0  0  0  0
   -8.0910    3.3450   -0.6880 H   0  0  0  0  0
   -9.4220    2.6150   -2.6500 H   0  0  0  0  0
   -8.5060    1.0900   -2.7040 H   0  0  0  0  0
   -9.2940    0.5360   -0.4190 H   0  0  0  0  0
  -10.2100    2.0610   -0.3650 H   0  0  0  0  0
  -11.5520    1.1470   -2.4620 H   0  0  0  0  0
  -12.0220   -1.1620   -2.0340 H   0  0  0  0  0
  -10.0880   -2.1790   -0.5970 H   0  0  0  0  0
   -9.9920   -0.6200    0.2570 H   0  0  0  0  0
  -12.4670   -1.0770    1.0690 H   0  0  0  0  0
  -12.5920   -3.3840    1.6920 H   0  0  0  0  0
  -11.0090   -4.7240    0.0520 H   0  0  0  0  0
   -9.8380   -3.3990    0.2570 H   0  0  0  0  0
   -9.8020   -4.0190    2.8270 H   0  0  0  0  0
   -9.7540   -6.4070    2.9770 H   0  0  0  0  0
  -11.1900   -7.3460    0.9650 H   0  0  0  0  0
  -10.4090   -6.1060   -0.0440 H   0  0  0  0  0
   -8.1160   -7.2920    0.5250 H   0  0  0  0  0
   -8.4870   -9.6520    0.3860 H   0  0  0  0  0
  -10.9530  -10.1070    1.2250 H   0  0  0  0  0
  -11.4330   -8.6720    0.2860 H   0  0  0  0  0
  -10.6470   -9.7700   -1.7930 H   0  0  0  0  0
  -10.1670  -11.2050   -0.8550 H   0  0  0  0  0
  -12.5160  -11.5130   -0.1250 H   0  0  0  0  0
  -12.9960  -10.0790   -1.0630 H   0  0  0  0  0
  -12.2100  -11.1760   -3.1430 H   0  0  0  0  0
  -11.7300  -12.6110   -2.2040 H   0  0  0  0  0
  -14.0800  -12.9190   -1.4740 H   0  0  0  0  0
  -14.5590  -11.4850   -2.4120 H   0  0  0  0  0
  -13.9550  -12.9350   -3.2500 H   0  0  0  0  0
   -4.2810    2.3750   -3.6690 H   0  0  0  0  0
   -3.2200    3.6710   -4.2720 H   0  0  0  0  0
   -2.4580    1.1210   -2.8280 H   0  0  0  0  0
   -1.2710    2.3300   -3.3750 H   0  0  0  0  0
   -0.6490    2.7370   -0.9770 H   0  0  0  0  0
   -1.7570    1.4280   -0.5010 H   0  0  0  0  0
   -0.4670   -0.1400   -1.9780 H   0  0  0  0  0
    0.6830    1.1760   -2.3160 H   0  0  0  0  0
    1.2570    1.3370    0.0620 H   0  0  0  0  0
    0.0270    0.1160    0.4700 H   0  0  0  0  0
    1.2430   -1.5300   -0.9840 H   0  0  0  0  0
    2.5100   -0.3090   -1.2530 H   0  0  0  0  0
    2.8610   -0.1910    1.2300 H   0  0  0  0  0
    1.6770   -1.5060    1.4280 H   0  0  0  0  0
    3.0680   -3.0120    0.0860 H   0  0  0  0  0
    4.2180   -1.6960   -0.2510 H   0  0  0  0  0
    4.6420   -1.4970    2.2150 H   0  0  0  0  0
    3.5800   -2.9000    2.4800 H   0  0  0  0  0
    5.0450   -4.3150    1.1170 H   0  0  0  0  0
    6.0690   -2.9160    0.7150 H   0  0  0  0  0
    6.6280   -2.6350    3.1140 H   0  0  0  0  0
    5.6040   -4.0340    3.5170 H   0  0  0  0  0
    7.0260   -5.4840    2.0940 H   0  0  0  0  0
    8.0500   -4.0850    1.6910 H   0  0  0  0  0
    8.6090   -3.8040    4.0910 H   0  0  0  0  0
    7.5850   -5.2030    4.4930 H   0  0  0  0  0
    9.0060   -6.6530    3.0700 H   0  0  0  0  0
   10.0300   -5.2540    2.6670 H   0  0  0  0  0
   10.5900   -4.9730    5.0670 H   0  0  0  0  0
    9.5660   -6.3720    5.4690 H   0  0  0  0  0
   10.9870   -7.8220    4.0460 H   0  0  0  0  0
   12.0110   -6.4230    3.6440 H   0  0  0  0  0
   12.5700   -6.1410    6.0430 H   0  0  0  0  0
   11.5460   -7.5410    6.4450 H   0  0  0  0  0
   12.9680   -8.9910    5.0220 H   0  0  0  0  0
   13.9920   -7.5910    4.6200 H   0  0  0  0  0
   14.5510   -7.3100    7.0190 H   0  0  0  0  0
   13.5270   -8.7100    7.4220 H   0  0  0  0  0
   14.9980   -8.9350    6.4450 H   0  0  0  0  0
   -1.4940    7.4790   -1.2550 H   0  0  0  0  0
   -3.1710    4.7330    4.2170 H   0  0  0  0  0
  1  2  1  0  0  0
  1 78  1  0  0  0
  2  3  1  0  0  0
  2 79  1  0  0  0
  3  4  1  0  0  0
  3 80  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 81  1  0  0  0
  6 82  1  0  0  0
  7  8  1  0  0  0
  7 83  1  0  0  0
  7 84  1  0  0  0
  8  9  1  0  0  0
  8 85  1  0  0  0
  8 86  1  0  0  0
  9 10  1  0  0  0
  9 87  1  0  0  0
  9 88  1  0  0  0
 10 11  1  0  0  0
 10 89  1  0  0  0
 10 90  1  0  0  0
 11 12  1  0  0  0
 11 91  1  0  0  0
 11 92  1  0  0  0
 12 13  1  0  0  0
 12 93  1  0  0  0
 12 94  1  0  0  0
 13 14  1  0  0  0
 13 95  1  0  0  0
 13 96  1  0  0  0
 14 15  1  0  0  0
 14 97  1  0  0  0
 14 98  1  0  0  0
 15 16  1  0  0  0
 15 99  1  0  0  0
 15100  1  0  0  0
 16 17  1  0  0  0
 16101  1  0  0  0
 16102  1  0  0  0
 17 18  1  0  0  0
 17103  1  0  0  0
 17104  1  0  0  0
 18 19  1  0  0  0
 18105  1  0  0  0
 18106  1  0  0  0
 19 20  1  0  0  0
 19107  1  0  0  0
 19108  1  0  0  0
 20109  1  0  0  0
 20110  1  0  0  0
 20111  1  0  0  0
 21  5  2  0  0  0
 22 23  1  0  0  0
 22  2  1  0  0  0
 22112  1  0  0  0
 23113  1  0  0  0
 24 22  1  0  0  0
 24 26  1  0  0  0
 24114  1  0  0  0
 25 24  1  0  0  0
 25115  1  0  0  0
 26 28  1  0  0  0
 26116  1  0  0  0
 27 26  1  0  0  0
 27192  1  0  0  0
 28 29  1  0  0  0
 28  3  1  0  0  0
 28117  1  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32118  1  0  0  0
 32119  1  0  0  0
 33 56  1  0  0  0
 33 34  1  0  0  0
 33120  1  0  0  0
 35 34  1  0  0  0
 35 36  1  0  0  0
 36 37  1  0  0  0
 36121  1  0  0  0
 36122  1  0  0  0
 37 38  1  0  0  0
 37123  1  0  0  0
 37124  1  0  0  0
 38 39  1  0  0  0
 38125  1  0  0  0
 38126  1  0  0  0
 39 40  2  0  0  0
 39127  1  0  0  0
 40 41  1  0  0  0
 40128  1  0  0  0
 41 42  1  0  0  0
 41129  1  0  0  0
 41130  1  0  0  0
 42 43  2  0  0  0
 42131  1  0  0  0
 43 44  1  0  0  0
 43132  1  0  0  0
 44 45  1  0  0  0
 44133  1  0  0  0
 44134  1  0  0  0
 45 46  2  0  0  0
 45135  1  0  0  0
 46 47  1  0  0  0
 46136  1  0  0  0
 47 48  1  0  0  0
 47137  1  0  0  0
 47138  1  0  0  0
 48 49  2  0  0  0
 48139  1  0  0  0
 49 50  1  0  0  0
 49140  1  0  0  0
 50 51  1  0  0  0
 50141  1  0  0  0
 50142  1  0  0  0
 51 52  1  0  0  0
 51143  1  0  0  0
 51144  1  0  0  0
 52 53  1  0  0  0
 52145  1  0  0  0
 52146  1  0  0  0
 53 54  1  0  0  0
 53147  1  0  0  0
 53148  1  0  0  0
 54149  1  0  0  0
 54150  1  0  0  0
 54151  1  0  0  0
 55 35  2  0  0  0
 56 57  1  0  0  0
 56152  1  0  0  0
 56153  1  0  0  0
 57 58  1  0  0  0
 58 59  1  0  0  0
 58154  1  0  0  0
 58155  1  0  0  0
 59 60  1  0  0  0
 59156  1  0  0  0
 59157  1  0  0  0
 60 61  1  0  0  0
 60158  1  0  0  0
 60159  1  0  0  0
 61 62  1  0  0  0
 61160  1  0  0  0
 61161  1  0  0  0
 62 63  1  0  0  0
 62162  1  0  0  0
 62163  1  0  0  0
 63 64  1  0  0  0
 63164  1  0  0  0
 63165  1  0  0  0
 64 65  1  0  0  0
 64166  1  0  0  0
 64167  1  0  0  0
 65 66  1  0  0  0
 65168  1  0  0  0
 65169  1  0  0  0
 66 67  1  0  0  0
 66170  1  0  0  0
 66171  1  0  0  0
 67 68  1  0  0  0
 67172  1  0  0  0
 67173  1  0  0  0
 68 69  1  0  0  0
 68174  1  0  0  0
 68175  1  0  0  0
 69 70  1  0  0  0
 69176  1  0  0  0
 69177  1  0  0  0
 70 71  1  0  0  0
 70178  1  0  0  0
 70179  1  0  0  0
 71 72  1  0  0  0
 71180  1  0  0  0
 71181  1  0  0  0
 72 73  1  0  0  0
 72182  1  0  0  0
 72183  1  0  0  0
 73 74  1  0  0  0
 73184  1  0  0  0
 73185  1  0  0  0
 74 75  1  0  0  0
 74186  1  0  0  0
 74187  1  0  0  0
 75188  1  0  0  0
 75189  1  0  0  0
 75190  1  0  0  0
 76 30  2  0  0  0
 77 30  1  0  0  0
 77191  1  0  0  0
M  END
$$$$
