B4BH3D
  -OEChem-04042105103D

 77 80  0     1  0  0  0  0  0999 V2000
   -2.4539   -1.7733    0.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    1.3463   -0.5174 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6863   -0.9134    1.6585 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7247    1.6291   -1.1585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0117   -2.8198    1.4664 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2569    2.5167   -0.0173 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3514   -2.4796   -2.3719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0244    0.5860    0.6984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361   -0.9164   -0.5611 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1544   -1.6143   -0.9510 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1284   -1.1675   -2.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1867   -0.9390   -0.7205 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3719    0.4110    0.1473 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1346   -0.0609    0.5874 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0389    1.0367    0.3348 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8743   -2.2745   -2.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8259   -0.0114   -2.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773    0.3893    0.9797 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515   -1.9092   -0.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4518    0.8938   -0.1853 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0870    2.1250    1.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610   -1.6031   -0.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2878   -0.2203   -0.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7838    1.4203    2.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1354   -2.4471    1.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2910    1.9601    0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7616    2.2998    1.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5326    1.3251   -0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6658   -2.7069   -1.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3874   -2.6744    1.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2852    3.3918    2.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2922    2.3475   -0.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0589   -2.6656    3.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0419   -3.9891    1.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7971    2.7090   -2.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3587    2.8869   -0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3012    3.9109   -0.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0955   -2.6859   -0.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368   -0.2684   -1.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7454    0.2524    1.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2954    1.5830   -0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8659   -1.9247   -3.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3257   -2.5837   -3.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0090   -3.1640   -2.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3971    0.8575   -2.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1200   -0.3274   -3.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7418    0.3228   -3.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0638   -0.4915    1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0806   -2.9615   -0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1713    1.6978    2.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9743    2.7468    1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7605    2.8136    1.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6357   -0.3791    2.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2051   -0.3315   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6075    0.0873   -1.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2370    1.3942    2.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3423    1.9117   -1.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1931   -3.6934   -1.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -2.7273   -0.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0827   -1.8486    1.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3467    3.2355    2.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7519    3.4484    3.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1734    4.3557    2.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3843   -3.4866    3.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9693   -2.7648    4.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5660   -1.7287    3.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3700   -4.8376    1.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2967   -3.9833    0.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9622   -4.1607    2.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0039   -3.1935   -2.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5154    3.2905   -2.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8712    3.2894   -2.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5960    1.8007   -2.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6124    2.5575    0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3705    4.7516   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2996    3.4750   -0.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0029    4.3161   -1.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 25  1  0  0  0  0
  2 13  1  0  0  0  0
  2 28  1  0  0  0  0
  3 14  1  0  0  0  0
  3 53  1  0  0  0  0
  4 20  1  0  0  0  0
  4 57  1  0  0  0  0
  5 25  2  0  0  0  0
  6 26  2  0  0  0  0
  7 29  1  0  0  0  0
  7 70  1  0  0  0  0
  8 28  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  0  0  0  0
 18 48  1  0  0  0  0
 19 22  2  0  0  0  0
 19 49  1  0  0  0  0
 20 23  1  0  0  0  0
 20 26  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 27  2  0  0  0  0
 24 56  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
 32 35  1  0  0  0  0
 32 36  2  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
 34 67  1  0  0  0  0
 34 68  1  0  0  0  0
 34 69  1  0  0  0  0
 35 71  1  0  0  0  0
 35 72  1  0  0  0  0
 35 73  1  0  0  0  0
 36 37  1  0  0  0  0
 36 74  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
 37 77  1  0  0  0  0
M  END

$$$$