A1ET4
  CCTOOLS-0501261012

 87 90  0  0  1  0  0  0  0  0999 V2000
    5.9480   -4.0780    0.2160 C   0  0  0  0  0
    1.0400    1.9810   -1.1240 C   0  0  0  0  0
    1.6800    0.7640   -0.9970 C   0  0  0  0  0
    1.6550    6.3110    0.7930 C   0  0  0  0  0
    0.8470    7.5210    1.2730 C   0  0  0  0  0
   -0.2290    7.0540    2.2560 C   0  0  0  0  0
   -1.1820    6.0870    1.5490 C   0  0  0  0  0
   -0.3980    4.8610    1.0710 C   0  0  0  0  0
   -1.3130    3.9570    0.2440 C   0  0  0  0  0
   -2.3490    3.3040    1.1610 C   0  0  0  0  0
   -2.4320    1.1670    0.0250 C   0  0  0  0  0
    5.4590   -1.9220    0.2340 C   0  0  0  0  0
   -3.2680    0.3160   -0.9360 C   0  0  0  0  0
   -5.3370    1.2340    0.1830 C   0  0  0  0  0
   -4.4190    2.0490    1.1000 C   0  0  0  0  0
   -5.0850   -1.1710   -0.2280 C   0  0  0  0  0
   -4.2650   -2.3340   -0.6440 C   0  0  0  0  0
   -6.0970   -3.7360   -0.0610 C   0  0  0  0  0
   -7.1500   -2.9550   -0.8500 C   0  0  0  0  0
   -6.0930   -3.2620    1.3940 C   0  0  0  0  0
   -6.4270   -5.2290   -0.1110 C   0  0  0  0  0
    5.9050   -5.5660   -0.0240 C   0  0  0  0  0
    5.0020   -3.1480   -0.2180 C   0  0  0  0  0
    7.4570   -1.1590    1.5540 C   0  0  0  0  0
    4.8170   -0.6130    0.0380 C   0  0  0  0  0
    3.0610    0.7190   -0.8580 C   0  0  0  0  0
    3.7940    1.8990   -0.8470 C   0  0  0  0  0
    3.1480    3.1120   -0.9740 C   0  0  0  0  0
    1.7720    3.1540   -1.1130 C   0  0  0  0  0
    6.5360   -6.2270    1.0350 F   0  0  0  0  0
    4.5730   -5.9860   -0.1090 F   0  0  0  0  0
    6.5650   -5.8640   -1.2210 F   0  0  0  0  0
    6.8760   -3.4310    0.8730 N   0  0  0  0  0
    6.6240   -2.1720    0.9010 N   0  0  0  0  0
    3.7130   -0.5120   -0.7290 N   0  0  0  0  0
    0.7300    5.3100    0.2430 N   0  0  0  0  0
   -3.1820    2.3790    0.3800 N   0  0  0  0  0
   -4.5840    0.0760   -0.3230 N   0  0  0  0  0
   -4.7750   -3.5080   -0.6520 N   0  0  0  0  0
    5.2820    0.3780    0.5670 O   0  0  0  0  0
    1.8690    5.5750   -1.9300 O   0  0  0  0  0
   -0.3430    4.4190   -1.7930 O   0  0  0  0  0
   -6.2090   -1.3430    0.1990 O   0  0  0  0  0
   -7.8910   -3.8550   -1.6750 O   0  0  0  0  0
   -5.4730   -4.2530    2.2160 O   0  0  0  0  0
   -7.7150   -5.4520    0.4660 O   0  0  0  0  0
    0.9520    4.7040   -1.2820 S   0  0  0  0  0
   -0.0340    2.0160   -1.2370 H   0  0  0  0  0
    1.1070   -0.1520   -1.0060 H   0  0  0  0  0
    2.3560    6.6240    0.0190 H   0  0  0  0  0
    2.2030    5.8810    1.6310 H   0  0  0  0  0
    1.5120    8.2280    1.7710 H   0  0  0  0  0
    0.3740    8.0060    0.4190 H   0  0  0  0  0
    0.2430    6.5470    3.0980 H   0  0  0  0  0
   -0.7890    7.9160    2.6180 H   0  0  0  0  0
   -1.9620    5.7720    2.2420 H   0  0  0  0  0
   -1.6350    6.5860    0.6920 H   0  0  0  0  0
   -0.0210    4.3100    1.9330 H   0  0  0  0  0
   -1.8230    4.5510   -0.5140 H   0  0  0  0  0
   -0.7180    3.1820   -0.2410 H   0  0  0  0  0
   -1.8390    2.7540    1.9520 H   0  0  0  0  0
   -2.9800    4.0750    1.6040 H   0  0  0  0  0
   -2.2190    0.5940    0.9280 H   0  0  0  0  0
   -1.4950    1.4470   -0.4580 H   0  0  0  0  0
   -3.3950    0.8470   -1.8800 H   0  0  0  0  0
   -2.7660   -0.6350   -1.1150 H   0  0  0  0  0
   -6.2040    0.8880    0.7460 H   0  0  0  0  0
   -5.6660    1.8500   -0.6540 H   0  0  0  0  0
   -4.9240    2.9680    1.3960 H   0  0  0  0  0
   -4.1790    1.4640    1.9870 H   0  0  0  0  0
   -3.2360   -2.1910   -0.9410 H   0  0  0  0  0
   -7.8270   -2.4560   -0.1560 H   0  0  0  0  0
   -6.6570   -2.2110   -1.4750 H   0  0  0  0  0
   -5.5390   -2.3270    1.4700 H   0  0  0  0  0
   -7.1190   -3.1050    1.7270 H   0  0  0  0  0
   -6.4290   -5.5670   -1.1470 H   0  0  0  0  0
   -5.6770   -5.7860    0.4510 H   0  0  0  0  0
    4.1040   -3.3430   -0.7860 H   0  0  0  0  0
    8.1230   -0.7070    0.8190 H   0  0  0  0  0
    6.8190   -0.3890    1.9890 H   0  0  0  0  0
    8.0490   -1.6270    2.3410 H   0  0  0  0  0
    4.8680    1.8670   -0.7390 H   0  0  0  0  0
    3.7170    4.0300   -0.9650 H   0  0  0  0  0
    3.3700   -1.2930   -1.1910 H   0  0  0  0  0
   -8.5780   -3.4270   -2.2050 H   0  0  0  0  0
   -5.4360   -4.0190    3.1530 H   0  0  0  0  0
   -7.9910   -6.3790    0.4680 H   0  0  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2 29  2  0  0  0
  2 48  1  0  0  0
  3  2  1  0  0  0
  3 49  1  0  0  0
  4 50  1  0  0  0
  4 51  1  0  0  0
  5  4  1  0  0  0
  5  6  1  0  0  0
  5 52  1  0  0  0
  5 53  1  0  0  0
  6 54  1  0  0  0
  6 55  1  0  0  0
  7  8  1  0  0  0
  7  6  1  0  0  0
  7 56  1  0  0  0
  7 57  1  0  0  0
  8  9  1  0  0  0
  8 58  1  0  0  0
  9 10  1  0  0  0
  9 59  1  0  0  0
  9 60  1  0  0  0
 10 37  1  0  0  0
 10 61  1  0  0  0
 10 62  1  0  0  0
 11 13  1  0  0  0
 11 63  1  0  0  0
 11 64  1  0  0  0
 12 25  1  0  0  0
 12 23  2  0  0  0
 13 65  1  0  0  0
 13 66  1  0  0  0
 14 38  1  0  0  0
 14 67  1  0  0  0
 14 68  1  0  0  0
 15 14  1  0  0  0
 15 69  1  0  0  0
 15 70  1  0  0  0
 16 43  2  0  0  0
 16 17  1  0  0  0
 17 39  2  0  0  0
 17 71  1  0  0  0
 18 21  1  0  0  0
 18 20  1  0  0  0
 19 44  1  0  0  0
 19 18  1  0  0  0
 19 72  1  0  0  0
 19 73  1  0  0  0
 20 45  1  0  0  0
 20 74  1  0  0  0
 20 75  1  0  0  0
 21 46  1  0  0  0
 21 76  1  0  0  0
 21 77  1  0  0  0
 22 32  1  0  0  0
 23 78  1  0  0  0
 24 34  1  0  0  0
 24 79  1  0  0  0
 24 80  1  0  0  0
 24 81  1  0  0  0
 25 35  1  0  0  0
 26  3  2  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 82  1  0  0  0
 28 29  1  0  0  0
 28 83  1  0  0  0
 29 47  1  0  0  0
 30 22  1  0  0  0
 31 22  1  0  0  0
 33 34  1  0  0  0
 33  1  2  0  0  0
 34 12  1  0  0  0
 35 26  1  0  0  0
 35 84  1  0  0  0
 36  4  1  0  0  0
 36  8  1  0  0  0
 37 15  1  0  0  0
 37 11  1  0  0  0
 38 13  1  0  0  0
 38 16  1  0  0  0
 39 18  1  0  0  0
 40 25  2  0  0  0
 41 47  2  0  0  0
 42 47  2  0  0  0
 44 85  1  0  0  0
 45 86  1  0  0  0
 46 87  1  0  0  0
 47 36  1  0  0  0
M  END
$$$$
