A1ERA
  CCTOOLS-0612260951

 27 26  0  0  0  0  0  0  0  0999 V2000
    0.0660   -1.1660   -0.3450 C   0  0  0  0  0
   -0.1660    0.3000    0.0260 C   0  0  0  0  0
   -1.4270    0.4150    0.8850 C   0  0  0  0  0
   -2.6280   -0.1170    0.1010 C   0  0  0  0  0
    1.0370    0.8230    0.8140 C   0  0  0  0  0
    2.3070    0.6520   -0.0210 C   0  0  0  0  0
    1.1200   -1.2530   -1.3060 O   0  0  0  0  0
    0.4260   -1.9030    0.8260 O   0  0  0  0  0
   -0.3280    1.0730   -1.1640 O   0  0  0  0  0
   -3.7960   -0.0620    0.9230 O   0  0  0  0  0
   -2.8280    0.6830   -1.0660 O   0  0  0  0  0
    3.3650    1.4180    0.5580 O   0  0  0  0  0
    2.6780   -0.7280   -0.0480 O   0  0  0  0  0
   -1.3000   -0.1680    1.7970 H   0  0  0  0  0
   -1.5960    1.4610    1.1440 H   0  0  0  0  0
    0.8910    1.8790    1.0410 H   0  0  0  0  0
    1.1350    0.2620    1.7430 H   0  0  0  0  0
    1.3220   -2.1550   -1.5870 H   0  0  0  0  0
    1.2670   -1.6300    1.2180 H   0  0  0  0  0
   -0.4790    2.0150   -1.0040 H   0  0  0  0  0
   -4.5980   -0.3840    0.4900 H   0  0  0  0  0
   -3.0010    1.6160   -0.8780 H   0  0  0  0  0
    4.2030    1.3560    0.0790 H   0  0  0  0  0
    2.8570   -1.1040    0.8240 H   0  0  0  0  0
   -0.8480   -1.5820   -0.7690 H   0  0  0  0  0
   -2.4410   -1.1500   -0.1940 H   0  0  0  0  0
    2.1230    0.9980   -1.0380 H   0  0  0  0  0
  1  8  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  3 15  1  0  0  0
  4 10  1  0  0  0
  4 11  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  5 17  1  0  0  0
  6 12  1  0  0  0
  6 13  1  0  0  0
  6 27  1  0  0  0
  7  1  1  0  0  0
  7 18  1  0  0  0
  8 19  1  0  0  0
  9 20  1  0  0  0
 10 21  1  0  0  0
 11 22  1  0  0  0
 12 23  1  0  0  0
 13 24  1  0  0  0
M  END
$$$$
