MUB
  CCTOOLS-1004241121

 39 39  0  0  1  0  0  0  0  0999 V2000
    1.3700    2.6110    1.8280 C   0  0  0  0  0
    1.2970    1.6010    0.6760 C   0  0  0  0  0
    0.1570    0.6000    0.9050 C   0  0  0  0  0
   -1.1540    1.2940    1.2910 C   0  0  0  0  0
   -0.9790    2.4160    2.3290 C   0  0  0  0  0
   -0.8720    1.9120    3.7670 C   0  0  0  0  0
    1.6790    1.7790   -1.7780 C   0  0  0  0  0
    1.4010    2.6300   -2.9730 C   0  0  0  0  0
   -0.0560   -1.5830    1.7450 C   0  0  0  0  0
    0.8880   -2.4080    0.8960 C   0  0  0  0  0
   -0.2720   -2.2200    3.1060 C   0  0  0  0  0
    2.4060    3.5520    1.5540 O   0  0  0  0  0
    0.5230   -0.3040    1.9470 O   0  0  0  0  0
   -1.7090    1.8640    0.1020 O   0  0  0  0  0
    0.1190    3.2750    1.9990 O   0  0  0  0  0
   -2.0620    1.2170    4.0890 O   0  0  0  0  0
    2.3290    0.7480   -1.9090 O   0  0  0  0  0
    0.3940   -3.6450    0.6310 O   0  0  0  0  0
    1.9830   -2.0290    0.5000 O   0  0  0  0  0
    1.1480    2.2700   -0.6000 N   0  0  0  0  0
    1.6400    2.1110    2.7640 H   0  0  0  0  0
    2.2560    1.0730    0.6140 H   0  0  0  0  0
    0.6270    3.1420   -0.6300 H   0  0  0  0  0
    2.3230    2.9820   -3.4630 H   0  0  0  0  0
    0.8440    2.0890   -3.7540 H   0  0  0  0  0
    0.8120    3.5410   -2.7760 H   0  0  0  0  0
    0.0080   -0.0010    0.0000 H   0  0  0  0  0
   -1.0040   -1.4460    1.2140 H   0  0  0  0  0
    0.3000   -3.1500    3.1980 H   0  0  0  0  0
   -1.3270   -2.4800    3.2450 H   0  0  0  0  0
    0.0320   -1.5540    3.9200 H   0  0  0  0  0
   -1.8810    0.5620    1.6620 H   0  0  0  0  0
   -1.8660    3.0590    2.2900 H   0  0  0  0  0
   -0.7500    2.7540    4.4470 H   0  0  0  0  0
   -0.0230    1.2350    3.8610 H   0  0  0  0  0
   -2.4910    1.7050    4.8130 H   0  0  0  0  0
   -1.9650    1.1210   -0.4660 H   0  0  0  0  0
    0.9790   -4.2210    0.0950 H   0  0  0  0  0
    3.0540    3.0940    0.9970 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 15  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 15  1  0  0  0
  5 33  1  0  0  0
  6 16  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 17  2  0  0  0
  7 20  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 13  1  0  0  0
  9 28  1  0  0  0
 10 18  1  0  0  0
 10 19  2  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 39  1  0  0  0
 14 37  1  0  0  0
 16 36  1  0  0  0
 18 38  1  0  0  0
 20 23  1  0  0  0
M  END
$$$$
