BKD8E4
  -OEChem-04012112593D

 40 42  0     0  0  0  0  0  0999 V2000
    4.9356   -1.5247   -0.0911 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3579   -3.3416   -0.3205 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1760   -1.8172    0.9959 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1580   -1.4954   -1.1599 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061    4.3809   -1.5563 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3080   -2.2065   -1.3228 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5344   -0.2374    0.2324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527   -0.9388    0.0124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9768   -0.0077    0.1524 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2049    3.1846    1.8725 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1797   -2.5887    1.2233 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4228   -1.0756   -0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6815    0.2146    0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8602   -1.9598   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0950   -1.3613   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0731    1.5149    0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0095   -2.0892   -0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   -0.2000    0.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1985   -1.3516   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3973   -2.2273   -0.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6117   -0.3378    0.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4207   -1.9925   -0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7786    2.3216   -0.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7725    1.9817    1.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944    3.5660   -0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0702    3.9473    0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7047    5.6417   -1.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5772   -2.9955   -0.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4195   -2.7786   -1.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8736    0.4876    1.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8330   -3.0252   -1.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2161    0.3267    1.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9986    1.9928   -1.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9980    1.4043    2.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5224    4.8932    1.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6146   -2.2064    2.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4619   -3.5532    1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8760    6.1597   -2.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0321    6.2690   -0.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6807    5.5142   -0.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  5 25  1  0  0  0  0
  5 27  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
 10 24  2  0  0  0  0
 10 26  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 17 20  1  0  0  0  0
 17 29  1  0  0  0  0
 18 21  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 23 25  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
 25 26  2  0  0  0  0
 26 35  1  0  0  0  0
 27 38  1  0  0  0  0
 27 39  1  0  0  0  0
 27 40  1  0  0  0  0
M  END

$$$$