1MK
  CCTOOLS-0918261012

 51 59  0  0  0  0  0  0  0  0999 V2000
    3.4690   -1.0910   -0.8100 C   0  0  0  0  0
    4.5320   -0.5750   -1.5140 C   0  0  0  0  0
    4.2730    0.3340   -2.5130 C   0  0  0  0  0
    2.9700    0.7350   -2.7320 C   0  0  0  0  0
    1.9560    0.0550   -2.0700 C   0  0  0  0  0
    0.5210    0.4800   -2.1490 C   0  0  0  0  0
    2.2090   -0.6860   -0.9900 N   0  0  0  0  0
   -1.7380   -0.4440   -2.9750 C   0  0  0  0  0
    0.2740    1.9240   -1.3950 S   0  0  0  0  0
    0.8420    0.3720    0.3170 OS  0  0  0  0  0
   -2.2530   -1.5530   -3.6420 C   0  0  0  0  0
   -3.6150   -1.6850   -3.8560 C   0  0  0  0  0
   -4.4480   -0.7040   -3.4010 C   0  0  0  0  0
   -3.9910    0.4000   -2.7420 C   0  0  0  0  0
   -2.6290    0.5280   -2.5280 C   0  0  0  0  0
    2.3030    1.0400    1.8790 C   0  0  0  0  0
    1.6690   -0.1090    2.3190 C   0  0  0  0  0
    0.2860   -0.1950    2.3770 C   0  0  0  0  0
   -0.5240    0.8720    1.9830 C   0  0  0  0  0
    0.1270    2.0270    1.5580 C   0  0  0  0  0
   -0.3240   -0.3740   -2.7800 N   0  0  0  0  0
    1.5080    2.1040    1.5060 C   0  0  0  0  0
    3.8110    1.1510    1.8360 C   0  0  0  0  0
   -2.0630    0.8410    2.0440 C   0  0  0  0  0
   -2.5170    1.3230    3.4330 C   0  0  0  0  0
   -2.8110   -0.4490    1.6560 C   0  0  0  0  0
   -5.7860   -0.8310   -3.6130 F   0  0  0  0  0
    3.6430   -1.7020   -0.1120 H   0  0  0  0  0
    5.4150   -0.8440   -1.3220 H   0  0  0  0  0
    4.9770    0.6990   -3.0220 H   0  0  0  0  0
    2.7680    1.3160   -3.4340 H   0  0  0  0  0
   -1.6710   -2.2240   -3.9490 H   0  0  0  0  0
   -3.9590   -2.4340   -4.3070 H   0  0  0  0  0
   -4.5880    1.0600   -2.4400 H   0  0  0  0  0
   -2.3100    1.2830   -2.0760 H   0  0  0  0  0
    0.1060   -1.0390   -3.1690 H   0  0  0  0  0
    4.0800    1.6780    1.0650 H   0  0  0  0  0
    4.2050    0.2640    1.7710 H   0  0  0  0  0
    4.1270    1.5830    2.6470 H   0  0  0  0  0
   -2.3560    1.5340    1.3950 H   0  0  0  0  0
   -2.3030    0.6500    4.1020 H   0  0  0  0  0
   -3.4770    1.4810    3.4290 H   0  0  0  0  0
   -2.0580    2.1510    3.6530 H   0  0  0  0  0
   -2.5940   -0.6850    0.7400 H   0  0  0  0  0
   -3.7720   -0.3090    1.7280 H   0  0  0  0  0
   -2.5450   -1.1740    2.2470 H   0  0  0  0  0
    2.1910   -0.8480    2.5880 H   0  0  0  0  0
   -0.1120   -0.9950    2.6810 H   0  0  0  0  0
   -0.3850    2.7740    1.2910 H   0  0  0  0  0
    1.9170    2.9010    1.2070 H   0  0  0  0  0
   -0.1720   -1.7510   -0.2380 CL  0  5  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  7  2  0  0  0
  6  9  2  0  0  0
  6 21  1  0  0  0
  7 10  1  0  0  0
  8 11  2  0  0  0
  8 15  1  0  0  0
  8 21  1  0  0  0
  9 10  1  0  0  0
 10 16  1  0  0  0
 10 19  1  0  0  0
 10 51  1  0  0  0
 10 17  1  0  0  0
 10 18  1  0  0  0
 10 20  1  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 22  2  0  0  0
 16 23  1  0  0  0
 17 18  2  0  0  0
 17 47  1  0  0  0
 18 19  1  0  0  0
 18 48  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 22  1  0  0  0
 20 49  1  0  0  0
 21 36  1  0  0  0
 22 50  1  0  0  0
 23 37  1  0  0  0
 23 38  1  0  0  0
 23 39  1  0  0  0
 24 25  1  0  0  0
 24 26  1  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
 25 42  1  0  0  0
 25 43  1  0  0  0
 26 44  1  0  0  0
 26 45  1  0  0  0
 26 46  1  0  0  0
M  CHG  1  51  -1
M  END
$$$$
