BTS80E
  -OEChem-04022104233D

 49 52  0     0  0  0  0  0  0999 V2000
   -0.3974   -0.6378   -1.9345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6292   -0.0348    1.1016 O   0  5  0  0  0  0  0  0  0  0  0  0
   -9.2667   -1.3281   -0.6349 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3057   -0.7149    0.0825 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961   -1.9139    0.0533 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8083    1.6304   -0.2383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1907    0.6091   -0.1528 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4666    0.2026   -0.3547 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8553   -0.5481    0.2578 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2252   -0.2282   -0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4738    0.3289   -0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4306   -1.6119   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    0.6358   -0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6659   -0.6298    0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4546    1.9997   -0.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7547    2.4257   -0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4420   -2.6984   -0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733    0.1465   -0.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1726    0.5057    1.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5196   -1.6804    0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458    3.8908   -0.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5331    0.5908    1.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8801   -1.5955    0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3868   -0.4598    0.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7517    0.3754    0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3153    0.6988    0.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6311    0.9342    1.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2320   -0.4891   -0.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4711   -0.2365    0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9908    0.6282    1.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5918   -0.7952   -0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6760    2.7184   -1.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1645   -2.8484   -1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365   -3.6481   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   -2.4715    0.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5470    1.3264    1.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573   -2.5740   -0.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8297    4.2759   -1.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0994    4.0933   -0.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4391    4.4335    0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9263    1.4691    1.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5455   -2.4126    0.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077    1.2493    0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4457   -0.3948    1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0022    1.3909    1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    1.6095    2.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5698   -0.9386   -1.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6465    1.0819    2.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9305   -1.4726   -1.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 12  2  0  0  0  0
  6 11  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 43  1  0  0  0  0
  8 26  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 21  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  0  0  0  0
 20 23  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 45  1  0  0  0  0
 27 30  1  0  0  0  0
 27 46  1  0  0  0  0
 28 31  2  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
M  CHG  2   2  -1   9   1
M  END

$$$$