
     RDKit          3D

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.9562    2.2635    2.4695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3407    2.1966    1.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2437    3.4246    0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4320    3.1635   -0.7409 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1209    2.6770   -0.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3027    1.7523   -1.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570    1.1487   -1.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    1.5003   -0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280    2.4839    0.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7587    3.0619    0.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6539    0.8075   -0.2916 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6746   -0.5812    0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8894   -1.2636    0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8711   -2.5942    0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6909   -3.1954    0.8892 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5124   -2.5265    0.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5151   -1.2281    0.3693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2926   -3.1719    1.1608 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0181   -2.6866    0.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1933   -3.1065    1.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2307   -2.6136    0.7196 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7416   -1.8834   -0.2737 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3934   -1.9239   -0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5531   -1.3789   -1.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8086   -0.6324   -0.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5288    0.8295   -0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8174    0.9425    0.7583 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2611    3.7102    0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    4.2816    0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657    1.4563   -2.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8528    0.3925   -2.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887    2.7630    1.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4611    3.7932    1.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5347    1.3663   -0.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8281   -0.7729   -0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7965   -3.1460    0.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621   -4.0383    1.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897   -3.7713    2.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2510   -1.5160   -1.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8730   -2.2461   -1.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9440   -0.7191   -2.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5428   -0.6261   -1.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2922   -1.1671   -0.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9458    1.3030   -1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4958    1.3704   -0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200    0.1011    1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27  2  1  0
 10  5  1  0
 17 12  1  0
 23 19  2  0
  3 28  1  0
  3 29  1  0
  6 30  1  0
  7 31  1  0
  9 32  1  0
 10 33  1  0
 11 34  1  0
 13 35  1  0
 14 36  1  0
 18 37  1  0
 20 38  1  0
 23 39  1  0
 24 40  1  0
 24 41  1  0
 25 42  1  0
 25 43  1  0
 26 44  1  0
 26 45  1  0
 27 46  1  0
M  END
$$$$
