6QT
  CCTOOLS-0919241042

 31 33  0  0  1  0  0  0  0  0999 V2000
    0.1940    1.3960   -0.6840 C   0  0  0  0  0
   -1.2630    1.6890   -0.3740 C   0  0  0  0  0
   -1.6960    2.8230   -0.3520 O   0  0  0  0  0
   -2.1250    0.5260   -0.1010 C   0  0  0  0  0
   -3.5140    0.6630   -0.0520 C   0  0  0  0  0
   -4.3000   -0.4430    0.2130 C   0  0  0  0  0
   -5.6530   -0.3190    0.2610 O   0  0  0  0  0
   -3.7080   -1.6820    0.4290 C   0  0  0  0  0
   -2.3360   -1.8250    0.3800 C   0  0  0  0  0
   -1.5300   -0.7280    0.1120 C   0  0  0  0  0
   -0.1850   -0.8760    0.0530 O   0  0  0  0  0
    0.6410    0.2700    0.2600 C   0  0  0  0  0
    2.0760   -0.0860   -0.0270 C   0  0  0  0  0
    3.0840    0.4030    0.7820 C   0  0  0  0  0
    4.4050    0.0750    0.5170 C   0  0  0  0  0
    5.3980    0.5540    1.3120 O   0  0  0  0  0
    4.7120   -0.7460   -0.5590 C   0  0  0  0  0
    3.7010   -1.2320   -1.3650 C   0  0  0  0  0
    2.3840   -0.9070   -1.0960 C   0  0  0  0  0
    0.2950    1.0740   -1.7210 H   0  0  0  0  0
    0.7980    2.2870   -0.5120 H   0  0  0  0  0
   -3.9710    1.6280   -0.2200 H   0  0  0  0  0
   -6.0910   -0.4570   -0.5900 H   0  0  0  0  0
   -4.3280   -2.5420    0.6380 H   0  0  0  0  0
   -1.8890   -2.7930    0.5500 H   0  0  0  0  0
    0.5480    0.6040    1.2930 H   0  0  0  0  0
    2.8430    1.0420    1.6190 H   0  0  0  0  0
    5.6130   -0.0170    2.0620 H   0  0  0  0  0
    5.7400   -1.0030   -0.7670 H   0  0  0  0  0
    3.9390   -1.8710   -2.2030 H   0  0  0  0  0
    1.5940   -1.2930   -1.7240 H   0  0  0  0  0
  1 12  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  1  1  0  0  0
  2  4  1  0  0  0
  3  2  2  0  0  0
  4 10  1  0  0  0
  5  4  2  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  8  2  0  0  0
  7  6  1  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 25  1  0  0  0
 10  9  2  0  0  0
 11 10  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 13 19  2  0  0  0
 14 15  2  0  0  0
 14 13  1  0  0  0
 14 27  1  0  0  0
 15 17  1  0  0  0
 16 15  1  0  0  0
 16 28  1  0  0  0
 17 18  2  0  0  0
 17 29  1  0  0  0
 18 30  1  0  0  0
 19 18  1  0  0  0
 19 31  1  0  0  0
M  END
$$$$
