BKJ82Z
  -OEChem-04012113393D

 31 32  0     1  0  0  0  0  0999 V2000
   -4.1312   -0.9591    0.8072 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069    1.7437    0.1455 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0820    1.3170    0.9900 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071   -1.4426    0.1019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4520   -0.5525    0.0695 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9886   -0.6479    0.3315 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2134    0.6584   -0.4222 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7140    0.8536   -0.3050 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2323   -0.5619   -0.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307   -1.3809   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6527   -1.2506   -0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8749   -0.3925   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1230    0.8292   -0.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3934    1.3295   -0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0477    0.4567    0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9112   -0.4469    1.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9365    0.5645   -1.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1120    1.5528   -1.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3271   -0.7940   -1.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1974   -0.7282    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0263   -2.2219   -0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334   -2.3130    0.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8231   -1.6553   -1.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5394   -0.3098    1.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    1.5373    0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    2.1697    1.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571   -2.1981    0.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5730   -1.4978   -1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4439    1.3521   -1.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8068    2.2808   -0.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0200    0.5829    0.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 25  1  0  0  0  0
  3  8  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

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