BU2XW4
  -OEChem-04022106413D

 49 52  0     0  0  0  0  0  0999 V2000
   -8.1524    2.4894   -0.6308 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4189   -1.8880    0.1017 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9747   -0.0784   -1.2913 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8013    1.7436    1.0943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0329   -0.4242   -0.1735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9240   -0.3327   -0.0595 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4974   -0.5406    0.6588 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583   -1.3278   -0.4867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7642   -0.7386    1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8416   -0.1675   -1.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1747   -1.2638    0.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1757    0.4893   -1.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3579   -0.3512   -0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3128   -0.2542    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1197   -0.6358    1.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9608    0.9396   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0559   -1.3706    0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6141    0.4374    0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2229    0.6559    0.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680   -0.8736   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6271    1.3756    0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3518    1.0170   -0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4469   -1.2932    0.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0949   -0.0994    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777    0.9468   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0398   -0.3942   -0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4338    2.8028    0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3772   -0.8636   -1.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2140   -1.4726    1.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8099    0.1899    1.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0068   -1.1367   -1.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862    0.4606   -2.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6688   -1.4007    1.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1212   -2.2409    0.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7401    0.6191   -1.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9986    1.4804   -0.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8686    0.1168    1.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -1.6400    1.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3981    1.8247   -0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5848   -2.3205    0.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0261   -2.1635    0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1795   -0.0540    0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7136    1.6367   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3561    3.3825    0.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1344    2.8864    1.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6761    3.2705   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6741   -0.3228   -1.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3581   -1.9324   -1.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1311   -0.7035   -0.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  7  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  2  0  0  0  0
  4 19  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 26  2  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 22  1  0  0  0  0
 16 39  1  0  0  0  0
 17 23  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 25  2  0  0  0  0
 21 27  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 26 28  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END

$$$$