A1KEE
  CCTOOLS-0731261038

 61 63  0  0  1  0  0  0  0  0999 V2000
    4.7890    3.5110   -1.5090 C   0  0  0  0  0
    3.4820    2.3670   -0.9840 S   0  0  0  0  0
    4.3780    1.0930   -0.1600 C   0  0  0  0  0
    5.7600    1.1660   -0.0610 C   0  0  0  0  0
    6.4610    0.1640    0.5870 C   0  0  0  0  0
    7.8060    0.2380    0.6820 F   0  0  0  0  0
    5.7880   -0.9160    1.1400 C   0  0  0  0  0
    4.4140   -1.0000    1.0490 C   0  0  0  0  0
    3.6960    0.0050    0.4030 C   0  0  0  0  0
    2.2220   -0.0820    0.3030 C   0  0  0  0  0
    1.4320    1.0080    0.6710 C   0  0  0  0  0
    0.0610    0.9260    0.5770 C   0  0  0  0  0
   -0.5350   -0.2500    0.1120 C   0  0  0  0  0
   -2.0050   -0.3420    0.0090 C   0  0  0  0  0
   -2.5280   -0.5170   -1.0750 O   0  0  0  0  0
   -2.7660   -0.2340    1.1150 N   0  0  0  0  0
   -2.1410    0.0540    2.4090 C   0  0  0  0  0
   -4.2180   -0.4030    1.0250 C   0  0  0  0  0
   -4.5360   -1.7680    0.4120 C   0  0  0  0  0
   -4.8060    0.7010    0.1430 C   0  0  0  0  0
   -4.3880    2.0680    0.6890 C   0  0  0  0  0
   -4.9760    3.1710   -0.1930 C   0  0  0  0  0
   -6.5020    3.0660   -0.1920 C   0  0  0  0  0
   -6.9200    1.7000   -0.7380 C   0  0  0  0  0
   -6.3320    0.5960    0.1440 C   0  0  0  0  0
    0.2620   -1.3380   -0.2550 C   0  0  0  0  0
   -0.4890   -2.8180   -0.8480 S   0  0  0  0  0
   -1.4160   -3.4560    0.5760 C   0  0  0  0  0
   -1.3790   -2.3770   -1.8640 O   0  0  0  0  0
    0.6060   -3.6700   -1.1520 O   0  0  0  0  0
    1.6220   -1.2530   -0.1660 C   0  0  0  0  0
    4.3430    4.3530   -2.0390 H   0  0  0  0  0
    5.3250    3.8750   -0.6330 H   0  0  0  0  0
    5.4820    2.9910   -2.1700 H   0  0  0  0  0
    6.2890    2.0040   -0.4900 H   0  0  0  0  0
    6.3420   -1.6930    1.6440 H   0  0  0  0  0
    3.8950   -1.8430    1.4810 H   0  0  0  0  0
    1.8950    1.9150    1.0300 H   0  0  0  0  0
   -0.5530    1.7680    0.8610 H   0  0  0  0  0
   -2.1630    1.1280    2.5930 H   0  0  0  0  0
   -2.6880   -0.4610    3.1990 H   0  0  0  0  0
   -1.1080   -0.2920    2.3980 H   0  0  0  0  0
   -4.6540   -0.3410    2.0220 H   0  0  0  0  0
   -4.1170   -2.5540    1.0410 H   0  0  0  0  0
   -5.6160   -1.8940    0.3450 H   0  0  0  0  0
   -4.1000   -1.8290   -0.5850 H   0  0  0  0  0
   -4.4350    0.5880   -0.8760 H   0  0  0  0  0
   -4.7590    2.1800    1.7080 H   0  0  0  0  0
   -3.3000    2.1420    0.6880 H   0  0  0  0  0
   -4.6780    4.1440    0.1960 H   0  0  0  0  0
   -4.6050    3.0580   -1.2120 H   0  0  0  0  0
   -6.8730    3.1790    0.8270 H   0  0  0  0  0
   -6.9210    3.8520   -0.8200 H   0  0  0  0  0
   -8.0080    1.6250   -0.7370 H   0  0  0  0  0
   -6.5490    1.5870   -1.7570 H   0  0  0  0  0
   -6.6300   -0.3770   -0.2450 H   0  0  0  0  0
   -6.7030    0.7090    1.1630 H   0  0  0  0  0
   -2.1570   -2.7200    0.8870 H   0  0  0  0  0
   -1.9180   -4.3820    0.2960 H   0  0  0  0  0
   -0.7280   -3.6500    1.3990 H   0  0  0  0  0
    2.2350   -2.0950   -0.4510 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  3  2  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  7  5  2  0  0  0
  7 36  1  0  0  0
  8  7  1  0  0  0
  8 37  1  0  0  0
  9  8  2  0  0  0
  9  3  1  0  0  0
 10  9  1  0  0  0
 10 11  2  0  0  0
 11 38  1  0  0  0
 12 11  1  0  0  0
 12 39  1  0  0  0
 13 12  2  0  0  0
 14 15  2  0  0  0
 14 13  1  0  0  0
 16 14  1  0  0  0
 17 16  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 16  1  0  0  0
 18 20  1  0  0  0
 18 43  1  0  0  0
 19 18  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
 22 50  1  0  0  0
 22 51  1  0  0  0
 23 22  1  0  0  0
 23 52  1  0  0  0
 23 53  1  0  0  0
 24 23  1  0  0  0
 24 54  1  0  0  0
 24 55  1  0  0  0
 25 20  1  0  0  0
 25 24  1  0  0  0
 25 56  1  0  0  0
 25 57  1  0  0  0
 26 31  2  0  0  0
 26 13  1  0  0  0
 27 28  1  0  0  0
 27 26  1  0  0  0
 28 58  1  0  0  0
 28 59  1  0  0  0
 28 60  1  0  0  0
 29 27  2  0  0  0
 30 27  2  0  0  0
 31 10  1  0  0  0
 31 61  1  0  0  0
M  END
$$$$
