
     RDKit          3D

 51 54  0  0  0  0  0  0  0  0999 V2000
    2.4755    2.7420    1.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3507    1.2802    2.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7382    0.7639    3.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5887   -0.6010    3.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0562   -1.4340    2.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785   -0.8893    1.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0768   -1.7308    0.4157 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5742   -1.2570   -0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.1379   -1.3496 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013    0.4418   -2.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0736    1.8941   -2.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7432    2.6314   -1.5622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5346    3.2455   -1.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5801    2.4267   -0.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111    1.9550    0.3399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4439    0.8756    1.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2111    0.9746    2.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5026   -0.0885    3.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0332   -1.2705    2.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2760   -1.3899    1.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9868   -0.3277    0.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2187   -0.4922   -0.7620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8293   -1.6327   -1.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7680   -2.3363   -2.1626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4532   -3.4558   -2.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1346   -3.9136   -2.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1445   -3.2014   -2.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805   -2.0424   -1.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8350    0.4473    1.2009 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5433    3.0449    1.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0861    2.9786    0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8886    3.3187    2.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445    1.4120    4.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8781   -1.0120    4.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9289   -2.4902    2.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8775   -2.7256    0.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4982    0.4092   -2.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -0.1484   -3.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7054    2.3608   -3.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1812    1.8839   -2.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8869    3.4461   -2.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4562    4.2371   -1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4617    3.0625   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9227    1.6187   -1.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757    1.8783    2.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3064    0.0011    4.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2546   -2.0967    3.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6885   -2.3142    1.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2279   -3.9930   -3.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8810   -4.8066   -3.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828   -3.5423   -2.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
  6 29  2  0
 29  2  1  0
 28  8  1  0
 21 16  1  0
 28 23  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 33  1  0
  4 34  1  0
  5 35  1  0
  7 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 13 41  1  0
 13 42  1  0
 14 43  1  0
 14 44  1  0
 17 45  1  0
 18 46  1  0
 19 47  1  0
 20 48  1  0
 25 49  1  0
 26 50  1  0
 27 51  1  0
M  END
$$$$
