
     RDKit          3D

 56 58  0  0  0  0  0  0  0  0999 V2000
    5.0018    1.6076   -1.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1767    0.3478   -1.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3866   -0.1952   -0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2563   -0.4224    0.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3581   -1.4594    0.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2597    0.6916   -0.1316 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090    0.2554    0.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0343   -0.9846    1.0118 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0442   -1.6067    1.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8218   -2.5704    0.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1999   -2.9718    1.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3700   -2.2666    0.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6043   -0.8427    1.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3604   -0.0649    0.3259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9842    0.2836   -0.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0264    0.5146   -1.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7601    0.7986   -3.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4431    0.8617   -3.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3900    0.6656   -2.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6399    0.4057   -1.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5323    0.3026   -0.5910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1697    1.3083    0.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0316    2.3300    0.5824 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    3.3181    1.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4955    3.3126    2.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4141    2.2888    1.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829    1.2662    0.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3834    2.4005   -0.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8608    1.3738   -0.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4079    2.0010   -2.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8551   -0.4427   -2.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4571    0.5729   -2.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704   -1.1784   -0.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120   -0.7889    1.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7038    0.5338    1.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1164   -1.0848   -0.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8687   -1.6645    1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9260   -2.4095    0.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2468    1.6662   -0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4072   -2.1906    2.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929   -0.8459    2.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9258   -2.1374   -0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2051   -3.4879    0.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3284   -4.0652    1.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520   -2.8046    2.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2990   -2.8533    0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1979   -2.2644   -0.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6731   -0.3279    1.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1800   -0.9074    2.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0547    0.4464   -1.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5770    0.9600   -3.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2371    1.0750   -4.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3698    0.7425   -3.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4388    4.1098    1.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439    4.1013    2.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3804    2.2959    2.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  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  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27  7  1  0
 20 15  1  0
 27 22  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  2 31  1  0
  2 32  1  0
  3 33  1  0
  4 34  1  0
  4 35  1  0
  5 36  1  0
  5 37  1  0
  5 38  1  0
  6 39  1  0
  9 40  1  0
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 13 49  1  0
 16 50  1  0
 17 51  1  0
 18 52  1  0
 19 53  1  0
 24 54  1  0
 25 55  1  0
 26 56  1  0
M  END
$$$$
