
     RDKit          2D

 50 55  0  0  0  0  0  0  0  0999 V2000
    1.2367    7.5323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2872    6.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7397    6.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8852    5.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9356    3.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336    2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5841    1.4299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1820   -0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7295   -0.3896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2325   -1.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6850   -0.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7355   -1.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3335   -3.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8809   -3.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8304   -2.5311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5836   -4.0564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583   -3.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -3.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1926   -2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6684   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1892   -0.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6790    0.6811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306    3.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6004   -3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4293   -4.6863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8744   -4.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1402   -5.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4701   -4.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5343   -2.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2686   -2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9386   -2.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6281   -1.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0302   -2.9578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1756   -1.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  0
 10  8  1  6
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
  6 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  6
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 26 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  1  6
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
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 46 47  2  0
 37 48  1  0
 48 49  1  0
 48 50  2  0
 15 10  1  0
 22 17  1  0
 33 28  1  0
 47 39  1  0
 22 12  1  0
 47 42  1  0
M  END
$$$$
