A1E3V
  CCTOOLS-0522260957

 47 50  0  0  1  0  0  0  0  0999 V2000
   -1.6310    2.9210    0.6690 C   0  0  0  0  0
   -2.9410    2.1430    0.9450 C   0  0  0  0  0
   -2.9040    0.9450   -0.0330 C   0  0  0  0  0
   -4.1010    0.2770    1.9620 C   0  0  0  0  0
   -1.6080    1.1440   -0.8350 C   0  0  0  0  0
   -0.6620    2.0290   -2.8520 C   0  0  0  0  0
   -0.8590   -0.1790   -1.0370 C   0  0  0  0  0
    1.7460   -0.6960   -0.5270 C   0  0  0  0  0
   -1.5180   -1.2990   -0.2290 C   0  0  0  0  0
   -1.3290   -3.6550    0.1030 C   0  0  0  0  0
    1.8410    1.9280    0.5050 C   0  0  0  0  0
    3.0230   -0.1420   -0.0090 C   0  0  0  0  0
    4.1640   -2.0500    0.8180 C   0  0  0  0  0
    3.0570    1.1170    0.4790 C   0  0  0  0  0
    4.3520    1.6880    0.9960 C   0  0  0  0  0
    0.5310    0.1160   -0.5100 C   0  0  0  0  0
    0.5450    1.3660    0.0140 C   0  0  0  0  0
   -0.7290    1.9090    0.0910 N   0  0  0  0  0
   -2.8230    0.7580    1.4210 N   0  0  0  0  0
   -0.7670   -4.8580   -0.1300 N   0  0  0  0  0
    1.7120   -1.8280   -0.9680 O   0  0  0  0  0
   -1.8410    1.8220   -2.0710 O   0  0  0  0  0
   -0.8650   -2.5610   -0.5290 O   0  0  0  0  0
   -2.2540   -3.5580    0.8850 O   0  0  0  0  0
    1.8840    3.0660    0.9280 O   0  0  0  0  0
    4.1460   -0.8950   -0.0230 O   0  0  0  0  0
   -1.8080    3.7270   -0.0450 H   0  0  0  0  0
   -1.2190    3.3180    1.5970 H   0  0  0  0  0
   -3.8420    2.7180    1.1590 H   0  0  0  0  0
   -3.7890    0.6070   -0.5730 H   0  0  0  0  0
   -4.8700    1.0350    1.8080 H   0  0  0  0  0
   -4.3890   -0.6420    1.4520 H   0  0  0  0  0
   -3.9930    0.0810    3.0290 H   0  0  0  0  0
    0.0490    2.6290   -2.2840 H   0  0  0  0  0
   -0.2120    1.0660   -3.0930 H   0  0  0  0  0
   -0.9230    2.5490   -3.7730 H   0  0  0  0  0
   -0.8210   -0.4410   -2.0940 H   0  0  0  0  0
   -1.4230   -1.0850    0.8350 H   0  0  0  0  0
   -2.5740   -1.3650   -0.4940 H   0  0  0  0  0
    3.9360   -1.7570    1.8430 H   0  0  0  0  0
    3.4180   -2.7640    0.4700 H   0  0  0  0  0
    5.1510   -2.5100    0.7830 H   0  0  0  0  0
    5.1600    0.9790    0.8130 H   0  0  0  0  0
    4.5670    2.6250    0.4820 H   0  0  0  0  0
    4.2660    1.8720    2.0670 H   0  0  0  0  0
   -0.0280   -4.9350   -0.7540 H   0  0  0  0  0
   -1.1010   -5.6460    0.3260 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 19  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 22  1  0  0  0
  5  3  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  5  1  0  0  0
  7 37  1  0  0  0
  8 21  2  0  0  0
  8 16  1  0  0  0
  9  7  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 23  1  0  0  0
 11 17  1  0  0  0
 12  8  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 12  2  0  0  0
 14 11  1  0  0  0
 15 14  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 15 45  1  0  0  0
 16  7  1  0  0  0
 17 16  2  0  0  0
 17 18  1  0  0  0
 18  1  1  0  0  0
 18  5  1  0  0  0
 19  3  1  0  0  0
 19  4  1  0  0  0
 20 10  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 22  6  1  0  0  0
 23  9  1  0  0  0
 24 10  2  0  0  0
 25 11  2  0  0  0
 26 13  1  0  0  0
 26 12  1  0  0  0
M  END
$$$$
