A1CR4
  CCTOOLS-0116261005

 78 80  0  0  1  0  0  0  0  0999 V2000
   -5.1420    0.2550    0.4680 C   0  0  0  0  0
   -5.7390    2.0190   -1.1030 C   0  0  0  0  0
   -5.0270    2.7530   -2.2410 C   0  0  0  0  0
    1.6190    3.1600    1.4740 C   0  0  0  0  0
   -0.0170    2.8550   -0.5490 C   0  0  0  0  0
    0.8660    1.6760   -1.0100 C   0  0  0  0  0
    2.1660    0.2160    0.6090 C   0  0  0  0  0
   -5.3430    1.0350    1.3750 O   0  0  0  0  0
   -0.2790    0.8770    0.8790 C   0  0  0  0  0
    3.3970    0.2350   -0.2590 C   0  0  0  0  0
    3.3380   -0.9270   -1.2540 C   0  0  0  0  0
    4.5880   -0.9070   -2.1360 C   0  0  0  0  0
   -0.9760   -0.5540   -0.8640 O   0  0  0  0  0
   -1.2330   -0.0920    0.2280 C   0  0  0  0  0
   -2.3710   -0.4440    0.8580 N   0  0  0  0  0
   -3.2980   -1.3850    0.2240 C   0  0  0  0  0
   -2.8580   -2.8180    0.5310 C   0  0  0  0  0
   -1.5000   -3.0860   -0.1220 C   0  0  0  0  0
   -0.9790   -4.7850    0.2420 S   0  0  0  0  0
    0.6220   -4.9090   -0.6020 C   0  0  0  0  0
   -4.7090   -1.1560    0.7700 C   0  0  0  0  0
   -5.3120    0.6490   -0.8090 N   0  0  0  0  0
   -6.4650    2.2650   -2.4270 C   0  0  0  0  0
   -4.7120   -1.3630    2.1840 O   0  0  0  0  0
   -0.7720    2.3270    0.6890 C   0  0  0  0  0
    0.2790    3.4890    0.8120 C   0  0  0  0  0
    1.0450    0.8460    0.2040 N   0  0  0  0  0
    3.2740   -2.2500   -0.4890 C   0  0  0  0  0
    2.0920   -0.7850   -2.1310 C   0  0  0  0  0
    4.5890    0.0980    0.5810 N   0  0  0  0  0
    5.7750    0.5740    0.1510 C   0  0  0  0  0
    6.8700    0.4490    0.9240 O   0  0  0  0  0
    8.1130    0.9850    0.3970 C   0  0  0  0  0
    5.8540    1.1180   -0.9330 O   0  0  0  0  0
    2.1830   -0.3670    1.6730 O   0  0  0  0  0
   -0.2550    4.8990    1.0710 C   0  0  0  0  0
   -6.0500    2.6100   -0.2410 H   0  0  0  0  0
   -4.8700    3.8250   -2.1290 H   0  0  0  0  0
   -4.2400    2.2160   -2.7720 H   0  0  0  0  0
    2.1210    2.3750    0.9070 H   0  0  0  0  0
    2.2450    4.0520    1.4910 H   0  0  0  0  0
    1.4460    2.8170    2.4940 H   0  0  0  0  0
   -0.5160    3.4440   -1.3180 H   0  0  0  0  0
    0.3610    1.1050   -1.7890 H   0  0  0  0  0
    1.8280    2.0390   -1.3700 H   0  0  0  0  0
   -0.1690    0.6480    1.9390 H   0  0  0  0  0
    3.4430    1.1770   -0.8040 H   0  0  0  0  0
    5.4750   -1.0090   -1.5110 H   0  0  0  0  0
    4.5450   -1.7350   -2.8440 H   0  0  0  0  0
    4.6330    0.0360   -2.6810 H   0  0  0  0  0
   -2.5760   -0.0740    1.7300 H   0  0  0  0  0
   -3.2960   -1.2270   -0.8540 H   0  0  0  0  0
   -2.7750   -2.9490    1.6100 H   0  0  0  0  0
   -3.5950   -3.5170    0.1360 H   0  0  0  0  0
   -1.5840   -2.9540   -1.2010 H   0  0  0  0  0
   -0.7630   -2.3870    0.2730 H   0  0  0  0  0
    0.4860   -4.7320   -1.6690 H   0  0  0  0  0
    1.3060   -4.1650   -0.1950 H   0  0  0  0  0
    1.0360   -5.9060   -0.4490 H   0  0  0  0  0
   -5.3980   -1.8570    0.2990 H   0  0  0  0  0
   -5.1510    0.0250   -1.5350 H   0  0  0  0  0
   -6.6250    1.4070   -3.0800 H   0  0  0  0  0
   -7.2540    3.0170   -2.4360 H   0  0  0  0  0
   -4.1190   -0.7730    2.6690 H   0  0  0  0  0
   -1.8260    2.5320    0.8790 H   0  0  0  0  0
    2.3840   -2.2640    0.1400 H   0  0  0  0  0
    3.2320   -3.0780   -1.1970 H   0  0  0  0  0
    4.1620   -2.3520    0.1360 H   0  0  0  0  0
    2.1640    0.1310   -2.7180 H   0  0  0  0  0
    2.0200   -1.6410   -2.8010 H   0  0  0  0  0
    1.2050   -0.7420   -1.4980 H   0  0  0  0  0
    4.5260   -0.3360    1.4460 H   0  0  0  0  0
    8.3560    0.4850   -0.5400 H   0  0  0  0  0
    8.0000    2.0550    0.2200 H   0  0  0  0  0
    8.9140    0.8180    1.1170 H   0  0  0  0  0
    0.5800    5.5970    1.1360 H   0  0  0  0  0
   -0.9130    5.1940    0.2540 H   0  0  0  0  0
   -0.8120    4.9100    2.0080 H   0  0  0  0  0
  1 22  1  0  0  0
  2 23  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4 26  1  0  0  0
  4 40  1  0  0  0
  4 41  1  0  0  0
  4 42  1  0  0  0
  5 43  1  0  0  0
  6  5  1  0  0  0
  6 44  1  0  0  0
  6 45  1  0  0  0
  7 27  1  0  0  0
  7 10  1  0  0  0
  8  1  2  0  0  0
  9 25  1  0  0  0
  9 27  1  0  0  0
  9 46  1  0  0  0
 10 11  1  0  0  0
 10 47  1  0  0  0
 11 29  1  0  0  0
 11 28  1  0  0  0
 12 11  1  0  0  0
 12 48  1  0  0  0
 12 49  1  0  0  0
 12 50  1  0  0  0
 14  9  1  0  0  0
 14 13  2  0  0  0
 15 14  1  0  0  0
 15 51  1  0  0  0
 16 15  1  0  0  0
 16 52  1  0  0  0
 17 16  1  0  0  0
 17 53  1  0  0  0
 17 54  1  0  0  0
 18 17  1  0  0  0
 18 55  1  0  0  0
 18 56  1  0  0  0
 19 18  1  0  0  0
 19 20  1  0  0  0
 20 57  1  0  0  0
 20 58  1  0  0  0
 20 59  1  0  0  0
 21  1  1  0  0  0
 21 16  1  0  0  0
 21 24  1  0  0  0
 21 60  1  0  0  0
 22  2  1  0  0  0
 22 61  1  0  0  0
 23  3  1  0  0  0
 23 62  1  0  0  0
 23 63  1  0  0  0
 24 64  1  0  0  0
 25 26  1  0  0  0
 25  5  1  0  0  0
 25 65  1  0  0  0
 26 36  1  0  0  0
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 27  6  1  0  0  0
 28 66  1  0  0  0
 28 67  1  0  0  0
 28 68  1  0  0  0
 29 69  1  0  0  0
 29 70  1  0  0  0
 29 71  1  0  0  0
 30 31  1  0  0  0
 30 10  1  0  0  0
 30 72  1  0  0  0
 31 34  2  0  0  0
 32 31  1  0  0  0
 33 32  1  0  0  0
 33 73  1  0  0  0
 33 74  1  0  0  0
 33 75  1  0  0  0
 35  7  2  0  0  0
 36 76  1  0  0  0
 36 77  1  0  0  0
 36 78  1  0  0  0
M  END
$$$$
