A1EQA
  CCTOOLS-0612260951

 39 41  0  0  1  0  0  0  0  0999 V2000
   -1.3820    1.1830   -1.0960 C   0  0  0  0  0
   -0.9560    1.3060    0.3450 C   0  0  0  0  0
   -0.9230    2.7080    0.8960 C   0  0  0  0  0
    0.0970    0.3200    0.8560 C   0  0  0  0  0
    0.6370   -0.7140   -0.1340 C   0  0  0  0  0
    2.1140   -0.4910   -0.3390 C   0  0  0  0  0
    2.5520    0.3610   -1.3360 C   0  0  0  0  0
    3.9060    0.5670   -1.5260 C   0  0  0  0  0
    4.8240   -0.0770   -0.7200 C   0  0  0  0  0
    4.3870   -0.9310    0.2820 C   0  0  0  0  0
    3.0270   -1.1320    0.4740 C   0  0  0  0  0
   -1.3610    0.1810    1.2990 C   0  0  0  0  0
   -2.1550   -0.9650    0.7270 C   0  0  0  0  0
   -1.6730   -2.2570    0.8240 C   0  0  0  0  0
   -2.4010   -3.3080    0.3000 C   0  0  0  0  0
   -3.6120   -3.0680   -0.3220 C   0  0  0  0  0
   -4.0940   -1.7760   -0.4200 C   0  0  0  0  0
   -3.3690   -0.7250    0.1100 C   0  0  0  0  0
   -1.5920   -0.0290   -1.6330 O   0  0  0  0  0
   -1.8250    3.6120    0.4830 O   0  0  0  0  0
   -0.0850    3.0180    1.7090 O   0  0  0  0  0
    5.2880   -1.5660    1.0770 O   0  0  0  0  0
   -1.5390    2.1760   -1.7660 O   0  0  0  0  0
    0.8140    0.6870    1.5910 H   0  0  0  0  0
    0.4720   -1.7160    0.2610 H   0  0  0  0  0
    0.1190   -0.6090   -1.0880 H   0  0  0  0  0
    1.8360    0.8650   -1.9680 H   0  0  0  0  0
    4.2460    1.2330   -2.3060 H   0  0  0  0  0
    5.8810    0.0840   -0.8690 H   0  0  0  0  0
    2.6840   -1.7930    1.2560 H   0  0  0  0  0
   -1.6030    0.4540    2.3260 H   0  0  0  0  0
   -0.7270   -2.4450    1.3100 H   0  0  0  0  0
   -2.0240   -4.3180    0.3750 H   0  0  0  0  0
   -4.1810   -3.8890   -0.7330 H   0  0  0  0  0
   -5.0400   -1.5880   -0.9060 H   0  0  0  0  0
   -3.7470    0.2830    0.0380 H   0  0  0  0  0
   -1.8650   -0.0570   -2.5600 H   0  0  0  0  0
   -1.7640    4.4990    0.8650 H   0  0  0  0  0
    5.5250   -1.0730    1.8740 H   0  0  0  0  0
  1 19  1  0  0  0
  2  1  1  0  0  0
  3  2  1  0  0  0
  4 12  1  0  0  0
  4  2  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  5  1  0  0  0
  6 11  2  0  0  0
  7  6  1  0  0  0
  7 27  1  0  0  0
  8  7  2  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 11 30  1  0  0  0
 12  2  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 16 15  1  0  0  0
 16 34  1  0  0  0
 17 16  2  0  0  0
 17 35  1  0  0  0
 18 13  2  0  0  0
 18 17  1  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
 20  3  1  0  0  0
 20 38  1  0  0  0
 21  3  2  0  0  0
 22 39  1  0  0  0
 23  1  2  0  0  0
M  END
$$$$
