
     RDKit          2D

 64 67  0  0  0  0  0  0  0  0999 V2000
   12.1653    4.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6328    2.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5809    1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792    1.3650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4726   -0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8710    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1584   -1.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2176   -0.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0484    0.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5678   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0353   -1.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6196    0.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1521    2.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2039    3.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1389    0.7181    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    8.3789   -0.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8989    2.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6582    0.4781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1257   -0.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0739   -2.0865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6451   -1.1642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6969   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2162   -0.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680    0.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2127    0.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2858   -0.8178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9619   -2.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2072   -3.0965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1242   -3.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4384   -4.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2508   -5.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -7.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3775   -8.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6917   -9.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5717   -3.4983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0541   -3.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5866   -4.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3150   -2.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3718   -3.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8221   -3.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2156   -1.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6659   -1.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7227   -2.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3292   -3.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8790   -4.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1365   -1.2016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3765    0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8747    0.3522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9935    1.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3324    2.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4164    3.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1613    4.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7553    4.5794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8392    6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3369    5.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3416    6.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9231    7.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0537    2.8985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7197    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1131    5.0318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2220    3.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8197    3.1357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    2.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4998    2.9004    0.0000 O   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  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 12 15  1  0
 15 16  2  0
 15 17  2  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  3
 21 22  1  0
 22 23  1  0
 23 24  1  0
 25 24  1  6
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  6
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 29 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  1
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 38 46  1  0
 46 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  6
 50 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  1  0
 54 55  1  0
 54 56  1  0
 54 57  1  0
 49 58  1  0
 58 59  1  0
 59 60  2  0
 59 61  1  0
 61 62  1  0
 62 63  1  0
 63 64  2  0
 13  2  1  0
 63 25  1  0
  9  3  1  0
 45 40  1  0
M  END
$$$$
