PBW
  CCTOOLS-1004241119

 27 27  0  0  1  0  0  0  0  0999 V2000
   -0.3080   -2.7290   -0.1960 O   0  0  0  0  0
   -1.7880    1.8710   -0.1590 O   0  0  0  0  0
    0.5820    1.4090   -0.2450 C   0  0  0  0  0
    1.6630    0.4400    0.2410 C   0  0  0  0  0
    2.9340    0.8540   -0.2630 O   0  0  0  0  0
    1.3480   -0.9700   -0.2640 C   0  0  0  0  0
    2.3570   -1.8740    0.1890 O   0  0  0  0  0
   -0.0140   -1.4120    0.2750 C   0  0  0  0  0
   -1.0940   -0.4440   -0.2100 C   0  0  0  0  0
   -3.4790   -0.0520   -0.2170 O   0  0  0  0  0
   -2.4560   -0.8860    0.3290 C   0  0  0  0  0
   -0.7790    0.9660    0.2950 C   0  0  0  0  0
    0.3370   -3.3970    0.0740 H   0  0  0  0  0
   -1.6530    2.7850    0.1250 H   0  0  0  0  0
    0.5580    1.4100   -1.3340 H   0  0  0  0  0
    1.6860    0.4390    1.3300 H   0  0  0  0  0
    3.6680    0.2840    0.0050 H   0  0  0  0  0
    1.3240   -0.9680   -1.3540 H   0  0  0  0  0
    3.2480   -1.6550   -0.1160 H   0  0  0  0  0
    0.0100   -1.4130    1.3650 H   0  0  0  0  0
   -1.1180   -0.4420   -1.3000 H   0  0  0  0  0
   -4.3710   -0.2750    0.0820 H   0  0  0  0  0
   -2.6410   -1.9220    0.0440 H   0  0  0  0  0
   -2.4610   -0.8030    1.4160 H   0  0  0  0  0
   -0.7560    0.9650    1.3850 H   0  0  0  0  0
    0.8760    2.7250    0.2270 O   0  0  0  0  0
    1.7270    3.0710   -0.0770 H   0  0  0  0  0
  1 13  1  0  0  0
  2 12  1  0  0  0
  2 14  1  0  0  0
  3 12  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  3 26  1  0  0  0
  4  6  1  0  0  0
  4 16  1  0  0  0
  5  4  1  0  0  0
  5 17  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  7 19  1  0  0  0
  8  1  1  0  0  0
  8 20  1  0  0  0
  9 11  1  0  0  0
  9  8  1  0  0  0
  9 21  1  0  0  0
 10 22  1  0  0  0
 11 10  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 12  9  1  0  0  0
 12 25  1  0  0  0
 26 27  1  0  0  0
M  END
$$$$