
     RDKit          3D

 52 55  0  0  0  0  0  0  0  0999 V2000
    4.9643    0.1695    2.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9392    0.3376    3.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202    0.0636    2.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2979   -0.3825    1.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.5397    0.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719   -0.2697    0.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1795   -1.0105   -0.7033 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270   -0.3049   -1.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9893    1.1902   -1.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2444    2.1166   -0.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984    2.0816   -1.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0332    2.1478    0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2883    1.5227    0.3770 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6899    0.2932    0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0939    0.0131    0.3477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4970   -1.2216    1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0169   -1.3046    1.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5800   -0.9147   -0.0912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4862    0.4895   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0843    1.0672    0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8263   -0.8098   -0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099   -1.5279   -1.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -2.6854   -1.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4575   -3.1379   -1.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414   -2.4293   -0.1751 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3595   -1.2735    0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259   -0.5719    1.3093 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9878    0.3799    2.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1657    0.6825    4.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8331    0.2064    3.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4796   -0.3980    0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5456   -0.4779   -1.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0362   -0.7913   -2.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7695    1.5379   -2.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0839    1.3035   -1.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5798    3.1579   -1.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920    1.9036    0.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3306    1.2098   -1.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3642    2.9573   -1.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6578    1.7419    1.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0916    3.2200    0.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0466   -1.2532    2.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1406   -2.1047    0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3106   -2.3539    1.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3920   -0.6786    1.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2596    0.9896    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7365    0.7301   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7476    1.6924   -0.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1540    1.7278    0.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2106   -1.2068   -1.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0539   -3.2399   -2.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9563   -4.0449   -1.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 14 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
  6  1  1  0
 20 15  1  0
 26 21  1  0
 27  4  1  0
  1 28  1  0
  2 29  1  0
  3 30  1  0
  6 31  1  0
  8 32  1  0
  8 33  1  0
  9 34  1  0
  9 35  1  0
 10 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 12 40  1  0
 12 41  1  0
 16 42  1  0
 16 43  1  0
 17 44  1  0
 17 45  1  0
 19 46  1  0
 19 47  1  0
 20 48  1  0
 20 49  1  0
 22 50  1  0
 23 51  1  0
 24 52  1  0
M  END
$$$$
