A1CR3
  CCTOOLS-0116261005

 65 66  0  0  1  0  0  0  0  0999 V2000
   -0.7070   -3.1260    1.4230 C   0  0  0  0  0
   -0.5020   -3.1000   -0.0930 C   0  0  0  0  0
   -2.7690    1.1740   -1.7090 C   0  0  0  0  0
   -1.7780    0.4400   -2.6150 C   0  0  0  0  0
   -4.1570    1.1580   -2.3520 C   0  0  0  0  0
    1.4340   -0.5630   -1.6180 O   0  0  0  0  0
    1.7240   -0.7370   -0.4530 C   0  0  0  0  0
    3.0110   -0.6620   -0.0610 N   0  0  0  0  0
    4.0600   -0.3710   -1.0420 C   0  0  0  0  0
    5.2600    0.2600   -0.3330 C   0  0  0  0  0
    4.8560    1.6190    0.2420 C   0  0  0  0  0
    6.2780    2.3680    1.0830 S   0  0  0  0  0
    5.6130    3.9430    1.6870 C   0  0  0  0  0
    4.4890   -1.6500   -1.7130 C   0  0  0  0  0
    3.9730   -2.6970   -1.4040 O   0  0  0  0  0
    0.6450   -1.0360    0.5560 C   0  0  0  0  0
    0.5890   -2.5510    0.8500 C   0  0  0  0  0
   -1.7150   -2.1390    2.0150 C   0  0  0  0  0
   -1.0090   -1.8690   -0.8750 C   0  0  0  0  0
   -0.6880   -0.7140   -0.0040 N   0  0  0  0  0
   -1.4390    0.3800    0.2280 C   0  0  0  0  0
   -2.8290    0.4770   -0.3490 C   0  0  0  0  0
   -2.3110    2.6220   -1.5210 C   0  0  0  0  0
   -3.6810    1.2490    0.5580 N   0  0  0  0  0
   -5.0160    1.0640    0.5490 C   0  0  0  0  0
   -5.8000    1.7730    1.3830 O   0  0  0  0  0
   -7.2290    1.5220    1.3190 C   0  0  0  0  0
   -5.5120    0.2560   -0.2110 O   0  0  0  0  0
   -0.9980    1.2880    0.9000 O   0  0  0  0  0
   -0.6280   -4.4850    2.1220 C   0  0  0  0  0
   -0.4000   -4.0380   -0.6380 H   0  0  0  0  0
   -0.7840    0.4740   -2.1700 H   0  0  0  0  0
   -2.0900   -0.5980   -2.7280 H   0  0  0  0  0
   -1.7550    0.9210   -3.5930 H   0  0  0  0  0
   -4.4830    0.1260   -2.4870 H   0  0  0  0  0
   -4.8620    1.6810   -1.7070 H   0  0  0  0  0
   -4.1140    1.6540   -3.3220 H   0  0  0  0  0
    3.2440   -0.8020    0.8700 H   0  0  0  0  0
    3.6750    0.3210   -1.7910 H   0  0  0  0  0
    5.5900   -0.3930    0.4750 H   0  0  0  0  0
    6.0740    0.3950   -1.0460 H   0  0  0  0  0
    4.5260    2.2720   -0.5660 H   0  0  0  0  0
    4.0420    1.4840    0.9550 H   0  0  0  0  0
    5.2640    4.5380    0.8430 H   0  0  0  0  0
    4.7800    3.7500    2.3640 H   0  0  0  0  0
    6.3930    4.4880    2.2180 H   0  0  0  0  0
    5.2590   -1.6310   -2.4700 H   0  0  0  0  0
    0.8200   -0.4760    1.4740 H   0  0  0  0  0
    1.5330   -3.0650    1.0330 H   0  0  0  0  0
   -1.2500   -1.5940    2.8360 H   0  0  0  0  0
   -2.0310   -1.4360    1.2440 H   0  0  0  0  0
   -2.5830   -2.6840    2.3860 H   0  0  0  0  0
   -0.4870   -1.7820   -1.8280 H   0  0  0  0  0
   -2.0850   -1.9380   -1.0360 H   0  0  0  0  0
   -3.2410   -0.5240   -0.4710 H   0  0  0  0  0
   -2.2680    3.1180   -2.4900 H   0  0  0  0  0
   -3.0160    3.1450   -0.8750 H   0  0  0  0  0
   -1.3220    2.6330   -1.0630 H   0  0  0  0  0
   -3.2850    1.8930    1.1660 H   0  0  0  0  0
   -7.5920    1.7440    0.3150 H   0  0  0  0  0
   -7.4240    0.4750    1.5530 H   0  0  0  0  0
   -7.7420    2.1570    2.0400 H   0  0  0  0  0
   -0.2760   -5.2370    1.4150 H   0  0  0  0  0
    0.0660   -4.4220    2.9610 H   0  0  0  0  0
   -1.6160   -4.7640    2.4870 H   0  0  0  0  0
  1 30  1  0  0  0
  1  2  1  0  0  0
  2 19  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  3  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  7 16  1  0  0  0
  7  6  2  0  0  0
  8  7  1  0  0  0
  8 38  1  0  0  0
  9  8  1  0  0  0
  9 39  1  0  0  0
 10  9  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 10  1  0  0  0
 11 42  1  0  0  0
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 12 11  1  0  0  0
 12 13  1  0  0  0
 13 44  1  0  0  0
 13 45  1  0  0  0
 13 46  1  0  0  0
 14  9  1  0  0  0
 14 47  1  0  0  0
 15 14  2  0  0  0
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 16 20  1  0  0  0
 16 48  1  0  0  0
 17  1  1  0  0  0
 17  2  1  0  0  0
 17 49  1  0  0  0
 18  1  1  0  0  0
 18 50  1  0  0  0
 18 51  1  0  0  0
 18 52  1  0  0  0
 19 53  1  0  0  0
 19 54  1  0  0  0
 20 19  1  0  0  0
 21 20  1  0  0  0
 21 22  1  0  0  0
 22  3  1  0  0  0
 22 55  1  0  0  0
 23 56  1  0  0  0
 23 57  1  0  0  0
 23 58  1  0  0  0
 24 25  1  0  0  0
 24 22  1  0  0  0
 24 59  1  0  0  0
 25 28  2  0  0  0
 26 25  1  0  0  0
 27 26  1  0  0  0
 27 60  1  0  0  0
 27 61  1  0  0  0
 27 62  1  0  0  0
 29 21  2  0  0  0
 30 63  1  0  0  0
 30 64  1  0  0  0
 30 65  1  0  0  0
M  END
$$$$
