
     RDKit          3D

 49 52  0  0  0  0  0  0  0  0999 V2000
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    5.7952    0.5354    2.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8173    1.9158    1.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063    2.4939    0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9644    1.6960    0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142    0.3118    0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9905   -0.5420   -0.1674 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7298   -0.3037   -0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0630    0.8359    0.1796 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1348    1.6527   -0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178    2.1503    0.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3929    1.0355   -1.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6995   -0.1126   -0.9482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0748   -0.8662    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4099   -0.9335    0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345   -1.6586    1.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7350   -2.3141    2.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -2.2527    2.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749   -1.5476    0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7317   -1.4725    0.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2738   -1.7692   -0.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6799   -2.4994   -3.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4458   -1.6603   -2.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9661   -1.2696   -1.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8529   -0.2649    1.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5457    2.5387    2.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    3.5593    0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906    2.1540   -0.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4144    1.2286    1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6200    2.8857    0.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5328    1.9353    0.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9919    2.9892   -0.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9570    1.3206   -2.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4621    0.8006   -1.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2041   -0.4323    0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9880   -2.8678    3.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6363   -2.7572    2.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -3.5907   -3.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394   -2.7922   -4.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970   -1.2921   -2.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8430   -1.3345    1.5603 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  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  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
  3 30  1  0
  4 31  1  0
  5 32  1  0
  9 33  1  0
 10 34  1  0
 10 35  1  0
 11 36  1  0
 11 37  1  0
 13 38  1  0
 13 39  1  0
 14 40  1  0
 14 41  1  0
 17 42  1  0
 18 43  1  0
 19 44  1  0
 20 45  1  0
 25 46  1  0
 26 47  1  0
 27 48  1  0
 29 49  1  0
M  END
$$$$
