BE9TN6
  -OEChem-04022102583D

 55 58  0     1  0  0  0  0  0999 V2000
   -3.0036   -1.0818   -1.1930 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5672   -3.1409   -1.7093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4306   -0.0237    2.1178 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8929   -1.8326   -0.4617 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151   -0.2681   -0.2055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359   -1.2567    0.2189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2918    1.3509   -1.4124 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043   -1.0925    0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9161   -1.8234   -1.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7062   -0.8955    0.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7075   -0.5173   -1.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -2.4725    0.4447 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3034   -2.5173   -0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1980   -3.7060    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4610    0.5151   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0346   -0.1446    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8879    0.9153    0.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2350   -3.6924    1.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4728    0.5593   -0.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3895    0.2491    0.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6800    1.5654   -0.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1373    2.1620    1.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9816    3.0149    0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372    1.0337    1.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8275    2.3500   -0.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5251    2.5696   -0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5466    2.6187    2.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7561    2.0842    0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4317    3.4769   -1.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8191   -1.5930    1.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7239   -0.1132    0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5808   -2.6726   -1.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566   -1.9930   -2.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8434   -0.2737    1.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1880   -1.8639    1.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761   -0.5937   -2.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    0.3166   -1.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8451   -2.4534    1.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7136   -3.8387   -0.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5716   -4.5993    0.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7577   -3.6013    2.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9453   -2.8683    1.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8062   -4.6264    1.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2564   -0.5708    1.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696    1.8073   -1.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2159    4.0073    0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    0.8249    1.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9969    3.1700   -1.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8615    1.9664    3.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4535    2.6313    2.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664    3.6350    2.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6495    2.6951    0.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9054    4.3961   -1.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7818    2.9987   -2.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3092    3.7333   -1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 19  1  0  0  0  0
  2 13  2  0  0  0  0
  3 16  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  7 19  1  0  0  0  0
  7 26  2  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 14 18  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 22  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 20 24  1  0  0  0  0
 20 44  1  0  0  0  0
 21 25  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 26  1  0  0  0  0
 23 46  1  0  0  0  0
 24 28  2  0  0  0  0
 24 47  1  0  0  0  0
 25 28  1  0  0  0  0
 25 48  1  0  0  0  0
 26 29  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END

$$$$