A1CR5
  CCTOOLS-0116261005

 61 62  0  0  1  0  0  0  0  0999 V2000
   -0.1590   -3.0740    1.6760 C   0  0  0  0  0
    0.1640   -3.2550    0.1910 C   0  0  0  0  0
   -2.2860    0.5620   -2.1940 C   0  0  0  0  0
   -1.3140   -0.3290   -2.9700 C   0  0  0  0  0
   -3.6640    0.5120   -2.8560 C   0  0  0  0  0
   -4.6730    0.6060   -0.0810 C   0  0  0  0  0
    2.0640   -0.8930   -1.5670 O   0  0  0  0  0
    2.2720   -0.8180   -0.3750 C   0  0  0  0  0
    3.5070   -0.5250    0.0770 N   0  0  0  0  0
    4.6000   -0.2970   -0.8730 C   0  0  0  0  0
    5.6650    0.5870   -0.2210 C   0  0  0  0  0
    5.0770    1.9720    0.0600 C   0  0  0  0  0
    6.3400    3.0200    0.8310 S   0  0  0  0  0
    5.4690    4.5910    1.0830 C   0  0  0  0  0
    5.2120   -1.6180   -1.2610 C   0  0  0  0  0
    4.7800   -2.6440   -0.7930 O   0  0  0  0  0
    1.1490   -1.0530    0.6020 C   0  0  0  0  0
    1.1470   -2.5090    1.1150 C   0  0  0  0  0
   -0.0650   -4.3100    2.5730 C   0  0  0  0  0
   -0.3740   -2.2040   -0.8040 C   0  0  0  0  0
   -0.2150   -0.9090   -0.1020 N   0  0  0  0  0
   -1.0460    0.1520   -0.0860 C   0  0  0  0  0
   -2.3950    0.0620   -0.7520 C   0  0  0  0  0
   -3.3570    0.8890   -0.0200 N   0  0  0  0  0
   -5.6630    1.4570    0.6730 C   0  0  0  0  0
   -5.5810    2.7780    0.2210 F   0  0  0  0  0
   -6.9570    0.9700    0.4560 F   0  0  0  0  0
   -5.3710    1.4120    2.0400 F   0  0  0  0  0
   -5.0610   -0.3340   -0.7420 O   0  0  0  0  0
   -0.7090    1.1780    0.4650 O   0  0  0  0  0
   -1.2600   -2.0770    2.0410 C   0  0  0  0  0
    0.3810   -4.2510   -0.1940 H   0  0  0  0  0
   -1.9190    1.5880   -2.1960 H   0  0  0  0  0
   -1.6310   -1.3690   -2.8890 H   0  0  0  0  0
   -1.3080   -0.0320   -4.0190 H   0  0  0  0  0
   -0.3120   -0.2210   -2.5560 H   0  0  0  0  0
   -4.3560    1.1470   -2.3030 H   0  0  0  0  0
   -3.5860    0.8680   -3.8840 H   0  0  0  0  0
   -4.0310   -0.5140   -2.8540 H   0  0  0  0  0
    3.6740   -0.4650    1.0310 H   0  0  0  0  0
    4.2100    0.1990   -1.7620 H   0  0  0  0  0
    5.9910    0.1340    0.7150 H   0  0  0  0  0
    6.5170    0.6840   -0.8940 H   0  0  0  0  0
    4.7510    2.4250   -0.8770 H   0  0  0  0  0
    4.2250    1.8750    0.7320 H   0  0  0  0  0
    5.1340    4.9780    0.1210 H   0  0  0  0  0
    4.6070    4.4280    1.7300 H   0  0  0  0  0
    6.1430    5.3100    1.5500 H   0  0  0  0  0
    6.0360   -1.6470   -1.9580 H   0  0  0  0  0
    1.2200   -0.3560    1.4370 H   0  0  0  0  0
    2.1030   -2.9430    1.4070 H   0  0  0  0  0
   -1.0640   -4.5980    2.9000 H   0  0  0  0  0
    0.3860   -5.1300    2.0160 H   0  0  0  0  0
    0.5500   -4.0800    3.4440 H   0  0  0  0  0
    0.2140   -2.2140   -1.7220 H   0  0  0  0  0
   -1.4240   -2.3920   -1.0240 H   0  0  0  0  0
   -2.7320   -0.9750   -0.7510 H   0  0  0  0  0
   -3.0470    1.6410    0.5090 H   0  0  0  0  0
   -0.8900   -1.3900    2.8030 H   0  0  0  0  0
   -1.5500   -1.5140    1.1540 H   0  0  0  0  0
   -2.1250   -2.6150    2.4280 H   0  0  0  0  0
  1 31  1  0  0  0
  1 19  1  0  0  0
  2  1  1  0  0  0
  2 32  1  0  0  0
  3 23  1  0  0  0
  3 33  1  0  0  0
  4  3  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  3  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6 29  2  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  8 17  1  0  0  0
  9  8  1  0  0  0
  9 40  1  0  0  0
 10  9  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 10  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 12  1  0  0  0
 14 13  1  0  0  0
 14 46  1  0  0  0
 14 47  1  0  0  0
 14 48  1  0  0  0
 15 10  1  0  0  0
 15 49  1  0  0  0
 16 15  2  0  0  0
 17 21  1  0  0  0
 17 18  1  0  0  0
 17 50  1  0  0  0
 18  2  1  0  0  0
 18  1  1  0  0  0
 18 51  1  0  0  0
 19 52  1  0  0  0
 19 53  1  0  0  0
 19 54  1  0  0  0
 20  2  1  0  0  0
 20 55  1  0  0  0
 20 56  1  0  0  0
 21 20  1  0  0  0
 22 23  1  0  0  0
 22 21  1  0  0  0
 23 24  1  0  0  0
 23 57  1  0  0  0
 24  6  1  0  0  0
 24 58  1  0  0  0
 25 27  1  0  0  0
 26 25  1  0  0  0
 28 25  1  0  0  0
 30 22  2  0  0  0
 31 59  1  0  0  0
 31 60  1  0  0  0
 31 61  1  0  0  0
M  END
$$$$
