
     RDKit          3D

 49 52  0  0  0  0  0  0  0  0999 V2000
   -4.9233   -1.4948    1.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9521   -2.2105    2.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164   -2.1688    2.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2419   -1.4241    1.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2246   -0.6961    0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5624   -0.7349    0.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8404    0.0737   -0.7551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3290    1.3803   -1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3753    2.0663   -2.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0165    1.8577   -1.6599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5920    2.7169   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3940    1.9335    0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9418    1.3429    0.8066 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4473    0.3226    0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -0.0611    0.4217 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    0.6598    1.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0863    0.1602    1.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -0.3801    0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3655   -1.3312    1.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7053   -0.4135   -0.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1641   -0.3484   -2.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5036   -1.0499   -3.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6035   -1.8313   -2.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0255   -1.9074   -1.5984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -1.2274   -0.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8792   -1.3531    0.7201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9563   -1.5260    2.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2334   -2.7926    3.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8677   -2.7135    2.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3244   -0.1843    0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3769    1.9728   -0.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3473    1.3202   -1.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    1.6075   -3.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6278    3.1449   -2.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3731    3.1801   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2899    3.5651   -0.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1730    1.1682    0.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5092    2.6479    1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1733   -0.8761   -0.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828    1.7298    1.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    0.6078    2.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7296    0.6938    2.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2677   -0.4463   -0.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9222   -0.1837    0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1879   -1.6894    2.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5151   -1.9892    1.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0272    0.2559   -2.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8492   -0.9911   -4.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1247   -2.3833   -3.6576 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  3
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 14 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
  6  1  1  0
 19 17  1  0
 25 20  1  0
 26  4  1  0
  1 27  1  0
  2 28  1  0
  3 29  1  0
  6 30  1  0
  8 31  1  0
  8 32  1  0
  9 33  1  0
  9 34  1  0
 11 35  1  0
 11 36  1  0
 12 37  1  0
 12 38  1  0
 15 39  1  0
 16 40  1  0
 16 41  1  0
 17 42  1  0
 18 43  1  0
 18 44  1  0
 19 45  1  0
 19 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
M  END
$$$$
