
     RDKit          3D

 54 57  0  0  0  0  0  0  0  0999 V2000
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   -3.6996    1.3176    1.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0064    0.0591    0.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2407   -0.6292   -0.6981 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1594   -0.2535   -1.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134   -1.1431   -2.3170 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3518   -0.7389   -3.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7975   -0.8537   -2.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2268   -2.3075   -2.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7236   -2.4773   -1.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5662   -2.6648   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058   -2.4551    1.2683 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4963   -1.2546    1.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4165   -1.3834    2.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0105   -0.2597    3.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    1.0117    2.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6992    1.1686    1.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.0418    1.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0756    0.1403    0.4125 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391    1.2630   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447    2.5159   -0.0789 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5087    3.6093   -0.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5960    3.4702   -1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286    2.1985   -1.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592    1.0814   -1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2490   -0.3203    0.6680 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0270   -1.4031    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6801    0.4390    1.6639 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8270    2.5812    3.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3273    1.8659    3.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2113    3.2287    2.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    1.6201    1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0179   -2.1063   -2.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262   -1.3848   -4.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1493    0.3048   -3.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416   -0.1878   -1.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4652   -0.4508   -3.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0774   -2.5618   -3.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4178   -3.0397   -2.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3605   -1.6103   -0.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708   -3.3833   -1.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999   -3.7126   -0.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960   -2.0320   -0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7086   -2.3697    3.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7411   -0.3765    4.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1265    1.8861    3.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4477    2.1828    1.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9389    4.5877   -0.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282    4.3361   -2.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9844    2.0838   -2.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2031   -1.1904   -0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4756   -2.3602    0.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0085   -1.4952    0.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  3
  6  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  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
  4 27  1  0
 27 28  1  0
 27 29  1  0
 29  2  2  0
 26  6  1  0
 19 14  1  0
 26 21  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
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 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 15 45  1  0
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 18 48  1  0
 23 49  1  0
 24 50  1  0
 25 51  1  0
 28 52  1  0
 28 53  1  0
 28 54  1  0
M  END
$$$$
