BA5C8B
  -OEChem-04022112523D

 43 42  0     1  0  0  0  0  0999 V2000
   -3.0984    0.1796    0.2077 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2086   -2.8981    0.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3918   -1.6487    1.9116 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7451    0.9083   -0.6889 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3360    1.2855    0.9271 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1046   -1.4438    0.1495 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5095   -1.5295   -2.4877 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -1.5061   -1.4150 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0644   -2.4438   -0.2714 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7801   -0.0381   -1.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1032   -1.8014    0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1851   -0.8376    0.8925 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0172    1.9783    0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4271   -1.7128    0.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8646    2.3860    1.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4992    0.5647    0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7814    3.8996    1.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9737    2.2193   -1.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0623    2.4385   -2.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414   -1.9108   -1.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5842   -3.3446   -0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0823    0.5187   -1.9212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8644    0.4246   -0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8725   -0.7281    1.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2355   -1.5826   -0.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8387   -0.9777   -3.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3960   -2.4826   -2.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9649    2.3199    0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276    2.4364   -0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828   -1.8190   -0.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2445   -1.2836    1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190   -2.7164    1.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964    1.9518    2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9047    2.0270    0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6863   -2.1178    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6098    4.3700    0.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7052    4.3079    1.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9543    4.1764    2.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    2.9665   -0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0194    2.3078   -1.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2302    1.6710   -3.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0123    2.3643   -2.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304    3.4233   -2.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 35  1  0  0  0  0
  3 11  2  0  0  0  0
  4 16  1  0  0  0  0
  4 18  1  0  0  0  0
  5 16  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
M  END

$$$$