A1ECA
  CCTOOLS-0327261008

 44 44  0  0  1  0  0  0  0  0999 V2000
   -0.8630   -3.2290   -0.1520 C   0  0  0  0  0
    0.0210   -3.0180   -1.3830 C   0  0  0  0  0
   -2.2990   -2.8130   -0.4770 C   0  0  0  0  0
   -0.8370   -4.7050    0.2480 C   0  0  0  0  0
    0.9590   -0.5090    0.1300 C   0  0  0  0  0
    2.1380   -1.3960    0.0790 C   0  0  0  0  0
    3.3450   -0.8920   -0.2250 C   0  0  0  0  0
    3.6360    0.5320    0.0310 C   0  0  0  0  0
   -1.3920   -0.1030    0.6250 C   0  0  0  0  0
    4.9270    2.5200   -0.2510 C   0  0  0  0  0
   -1.1580    1.0280    1.6420 C   0  0  0  0  0
   -2.2330    2.1130    1.4330 C   0  0  0  0  0
   -1.6050    0.5770   -0.7520 C   0  0  0  0  0
   -0.3360   -2.3780    1.0060 C   0  0  0  0  0
   -0.2220   -0.9830    0.5740 N   0  0  0  0  0
    1.0530    0.6490   -0.2280 O   0  0  0  0  0
    2.9140    1.1760    0.7650 O   0  0  0  0  0
    4.7020    1.1170   -0.5490 O   0  0  0  0  0
   -4.0500    1.5920   -0.4420 O   0  0  0  0  0
   -2.2370    3.1530   -1.0180 O   0  0  0  0  0
   -2.6910    1.9930   -0.3340 S   0  0  0  0  0
    1.0240   -3.3920   -1.1790 H   0  0  0  0  0
   -0.4030   -3.5570   -2.2300 H   0  0  0  0  0
    0.0710   -1.9540   -1.6170 H   0  0  0  0  0
   -2.3020   -1.7990   -0.8770 H   0  0  0  0  0
   -2.7160   -3.4970   -1.2170 H   0  0  0  0  0
   -2.9020   -2.8480    0.4300 H   0  0  0  0  0
   -1.4660   -4.8560    1.1250 H   0  0  0  0  0
   -1.2120   -5.3120   -0.5770 H   0  0  0  0  0
    0.1860   -5.0010    0.4800 H   0  0  0  0  0
    2.0300   -2.4500    0.2860 H   0  0  0  0  0
    4.1030   -1.5280   -0.6580 H   0  0  0  0  0
   -2.2780   -0.6750    0.9000 H   0  0  0  0  0
    4.0630    3.1020   -0.5710 H   0  0  0  0  0
    5.0720    2.6450    0.8220 H   0  0  0  0  0
    5.8150    2.8660   -0.7800 H   0  0  0  0  0
   -1.2300    0.6310    2.6550 H   0  0  0  0  0
   -0.1680    1.4590    1.4900 H   0  0  0  0  0
   -3.0990    1.9130    2.0630 H   0  0  0  0  0
   -1.8230    3.0990    1.6510 H   0  0  0  0  0
   -0.6580    0.9250   -1.1630 H   0  0  0  0  0
   -2.1030   -0.1010   -1.4460 H   0  0  0  0  0
   -1.0250   -2.4430    1.8480 H   0  0  0  0  0
    0.6440   -2.7450    1.3100 H   0  0  0  0  0
  1 14  1  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 16  2  0  0  0
  5 15  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8 18  1  0  0  0
  8 17  2  0  0  0
  9 11  1  0  0  0
  9 15  1  0  0  0
  9 13  1  0  0  0
  9 33  1  0  0  0
 10 18  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 21  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 21  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 19 21  2  0  0  0
 20 21  2  0  0  0
M  END
$$$$
