B8YMS5
  -OEChem-04022101573D

 53 57  0     1  0  0  0  0  0999 V2000
    6.1250    0.4254   -0.2487 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5732   -1.0982    1.9497 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9988   -0.3110   -1.1666 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7158    1.1858    0.3218 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4608    1.1497    0.9628 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5904    0.9142   -1.5324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1160    1.3147   -0.5298 N   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5279   -2.0209   -1.5946 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7958    3.0607    0.7385 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9464    2.3630    0.5514 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4119    0.1542   -0.3143 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5518   -1.9252    1.1126 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6763   -3.2759   -0.2447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3725    0.7217   -0.0974 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7561   -0.4431   -1.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1369   -0.9938   -0.6286 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4815    1.7706   -0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1703    0.1528   -0.5664 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0188    0.3210   -0.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2698    2.5137    0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1508    1.1489   -0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7198    2.3503    0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5305   -0.2930   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5343    1.1897    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6536   -0.9021    1.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6605   -0.0934   -0.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9137   -0.5027   -0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9066   -1.3115    1.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0366   -1.1119    0.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7342   -1.2241   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4305   -2.0784   -0.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1342   -3.1508    0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2761    0.3258    0.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7716   -0.1030   -2.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0226   -1.2567   -0.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0240   -1.4690    0.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830    2.5795    0.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6163    2.2294   -1.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2828    0.6001   -1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1618   -0.0833   -1.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8679   -0.4907    0.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1388    2.4789    1.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0293    3.4361   -0.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4004   -2.4581   -1.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8286   -2.7622   -1.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    3.9950    1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5815    0.3793   -1.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0441   -0.6540   -0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0020   -1.7858    2.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0123   -1.4306    1.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735   -1.5990    1.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7679   -1.8943   -1.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281   -3.8999    1.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 11  1  0  0  0  0
  1 30  1  0  0  0  0
  2 25  1  0  0  0  0
  3 27  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 16  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 46  1  0  0  0  0
 10 24  2  0  0  0  0
 11 24  1  0  0  0  0
 11 48  1  0  0  0  0
 12 30  1  0  0  0  0
 12 32  1  0  0  0  0
 12 51  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 23  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 31  2  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END

$$$$