A1JTV
  CCTOOLS-0821261018

 89 91  0  0  1  0  0  0  0  0999 V2000
    0.7970    0.1860    1.0350 N   0  0  0  0  0
   -7.4800    0.1910    1.5130 N   0  0  0  0  0
    2.8320    4.0190    0.7660 C   0  0  0  0  0
    2.0260    3.4470    1.7330 C   0  0  0  0  0
    0.9320    2.6890    1.3600 C   0  0  0  0  0
    0.0540    2.0650    2.4140 C   0  0  0  0  0
   -0.0970    0.5680    2.1310 C   0  0  0  0  0
   -3.3540   -1.2240    1.3250 C   0  0  0  0  0
   -5.4020   -0.0810    0.4630 C   0  0  0  0  0
   -7.4780    1.1170    0.3750 C   0  0  0  0  0
   -3.4430   -1.2800   -1.1530 C   0  0  0  0  0
   -0.2500    1.3270   -3.7970 C   0  0  0  0  0
   -1.6870    0.9020   -4.1050 C   0  0  0  0  0
   -1.8160   -0.6140   -3.9440 C   0  0  0  0  0
    2.0630   -0.1930    1.3000 C   0  0  0  0  0
    2.4430   -2.0040   -0.3510 C   0  0  0  0  0
    6.7730   -0.9220    0.3600 C   0  0  0  0  0
    0.6430    2.5040    0.0210 C   0  0  0  0  0
    1.4480    3.0770   -0.9450 C   0  0  0  0  0
    2.5390    3.8390   -0.5730 C   0  0  0  0  0
   -1.5230    0.2720    1.7420 C   0  0  0  0  0
   -1.9360   -1.0330    1.7150 N   0  0  0  0  0
   -3.4020   -2.1280    0.0920 C   0  0  0  0  0
   -3.9830    0.1310    0.9930 C   0  0  0  0  0
   -5.9970    1.2540   -0.0420 C   0  0  0  0  0
   -6.3290   -0.4990    1.5830 C   0  0  0  0  0
   -3.6980   -0.0960   -1.0890 O   0  0  0  0  0
   -3.1860   -1.8760   -2.3590 N   0  0  0  0  0
    1.1320    2.8750   -2.4050 C   0  0  0  0  0
   -0.2340    2.2000   -2.5400 C   0  0  0  0  0
   -3.2460   -0.9630   -3.5260 C   0  0  0  0  0
   -4.5700   -2.9490    0.1480 O   0  0  0  0  0
   -2.2870    1.1700    1.4600 O   0  0  0  0  0
   -6.0680   -1.3320    2.4260 O   0  0  0  0  0
    2.9570   -0.6660    0.1820 C   0  0  0  0  0
    2.4830   -0.1540    2.4370 O   0  0  0  0  0
    4.3230   -0.8330    0.6870 N   0  0  0  0  0
    5.3690   -0.7500   -0.1590 C   0  0  0  0  0
    5.1800   -0.5380   -1.3380 O   0  0  0  0  0
    1.0640   -1.8060   -0.9820 C   0  0  0  0  0
    3.4140   -2.5400   -1.4050 C   0  0  0  0  0
    2.3380   -3.0060    0.8020 C   0  0  0  0  0
    7.6800   -0.7950   -0.6980 F   0  0  0  0  0
    7.0380    0.0590    1.3220 F   0  0  0  0  0
    6.9050   -2.1890    0.9380 F   0  0  0  0  0
    0.4770    0.2020    0.1190 H   0  0  0  0  0
   -8.2160    0.0920    2.1370 H   0  0  0  0  0
    3.6870    4.6110    1.0570 H   0  0  0  0  0
    2.2520    3.5910    2.7790 H   0  0  0  0  0
    0.5070    2.2050    3.3950 H   0  0  0  0  0
   -0.9280    2.5380    2.3960 H   0  0  0  0  0
    0.1610    0.0020    3.0250 H   0  0  0  0  0
   -3.9000   -1.6930    2.1440 H   0  0  0  0  0
   -5.4060   -0.8260   -0.3330 H   0  0  0  0  0
   -8.0650    0.7070   -0.4470 H   0  0  0  0  0
   -7.8770    2.0860    0.6760 H   0  0  0  0  0
    0.3630    0.4410   -3.6310 H   0  0  0  0  0
    0.1500    1.8930   -4.6380 H   0  0  0  0  0
   -2.3690    1.3990   -3.4150 H   0  0  0  0  0
   -1.9370    1.1810   -5.1280 H   0  0  0  0  0
   -1.5860   -1.1010   -4.8920 H   0  0  0  0  0
   -1.1200   -0.9600   -3.1800 H   0  0  0  0  0
   -0.2090    1.9080   -0.2700 H   0  0  0  0  0
    3.1690    4.2870   -1.3280 H   0  0  0  0  0
   -1.3490   -1.7730    1.9340 H   0  0  0  0  0
   -2.5140   -2.7610    0.0710 H   0  0  0  0  0
   -4.0190    0.7450    1.8930 H   0  0  0  0  0
   -3.3830    0.6340    0.2340 H   0  0  0  0  0
   -5.5280    2.1030    0.4560 H   0  0  0  0  0
   -5.9030    1.3380   -1.1250 H   0  0  0  0  0
   -2.9800   -2.8200   -2.4430 H   0  0  0  0  0
    1.1110    3.8410   -2.9090 H   0  0  0  0  0
    1.8960    2.2440   -2.8590 H   0  0  0  0  0
   -1.0100    2.9610   -2.6180 H   0  0  0  0  0
   -0.4210    1.5790   -1.6640 H   0  0  0  0  0
   -3.7800   -0.0530   -3.2520 H   0  0  0  0  0
   -3.7590   -1.4570   -4.3510 H   0  0  0  0  0
   -4.6660   -3.5490   -0.6040 H   0  0  0  0  0
    2.9550    0.0710   -0.6210 H   0  0  0  0  0
    4.4740   -1.0020    1.6300 H   0  0  0  0  0
    0.6980   -2.7600   -1.3630 H   0  0  0  0  0
    0.3720   -1.4260   -0.2310 H   0  0  0  0  0
    1.1390   -1.0920   -1.8020 H   0  0  0  0  0
    3.4900   -1.8270   -2.2260 H   0  0  0  0  0
    4.3970   -2.6820   -0.9550 H   0  0  0  0  0
    3.0480   -3.4940   -1.7840 H   0  0  0  0  0
    2.0590   -3.9830    0.4090 H   0  0  0  0  0
    3.3000   -3.0790    1.3090 H   0  0  0  0  0
    1.5800   -2.6680    1.5080 H   0  0  0  0  0
  1 15  1  0  0  0
  1 46  1  0  0  0
  2 26  1  0  0  0
  2 47  1  0  0  0
  3  4  1  0  0  0
  3 48  1  0  0  0
  4  5  2  0  0  0
  4 49  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 50  1  0  0  0
  6 51  1  0  0  0
  7 21  1  0  0  0
  7  1  1  0  0  0
  7 52  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  8 53  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
  9 54  1  0  0  0
 10  2  1  0  0  0
 10 55  1  0  0  0
 10 56  1  0  0  0
 11 27  2  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 57  1  0  0  0
 12 58  1  0  0  0
 13 14  1  0  0  0
 13 59  1  0  0  0
 13 60  1  0  0  0
 14 31  1  0  0  0
 14 61  1  0  0  0
 14 62  1  0  0  0
 15 35  1  0  0  0
 15 36  2  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18  5  1  0  0  0
 18 63  1  0  0  0
 19 20  1  0  0  0
 19 29  1  0  0  0
 20  3  2  0  0  0
 20 64  1  0  0  0
 21 22  1  0  0  0
 21 33  2  0  0  0
 22  8  1  0  0  0
 22 65  1  0  0  0
 23 11  1  0  0  0
 23 32  1  0  0  0
 23 66  1  0  0  0
 24  9  1  0  0  0
 24 67  1  0  0  0
 24 68  1  0  0  0
 25 10  1  0  0  0
 25 69  1  0  0  0
 25 70  1  0  0  0
 26 34  2  0  0  0
 28 31  1  0  0  0
 28 71  1  0  0  0
 29 30  1  0  0  0
 29 72  1  0  0  0
 29 73  1  0  0  0
 30 12  1  0  0  0
 30 74  1  0  0  0
 30 75  1  0  0  0
 31 76  1  0  0  0
 31 77  1  0  0  0
 32 78  1  0  0  0
 35 16  1  0  0  0
 35 37  1  0  0  0
 35 79  1  0  0  0
 37 38  1  0  0  0
 37 80  1  0  0  0
 38 17  1  0  0  0
 38 39  2  0  0  0
 40 81  1  0  0  0
 40 82  1  0  0  0
 40 83  1  0  0  0
 41 84  1  0  0  0
 41 85  1  0  0  0
 41 86  1  0  0  0
 42 87  1  0  0  0
 42 88  1  0  0  0
 42 89  1  0  0  0
M  END
$$$$
