
     RDKit          2D

 63 66  0  0  0  0  0  0  0  0999 V2000
    3.1264   -7.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8074   -6.5898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9904   -5.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4925   -5.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6714   -3.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8544   -2.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5354   -1.4008    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7185   -0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205   -0.2213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3995    1.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    1.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5784    2.6087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7614    3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2635    3.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4424    5.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6255    6.4613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1275    6.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465    5.0462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105    7.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126    7.5623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0044    8.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9993    9.9350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112   11.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8477   12.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1057   13.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670   13.8325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4830   15.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207   16.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8910   15.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1901   16.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7343   14.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1608   13.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9778   14.9388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1645   12.5661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4764   11.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9743   11.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6553    9.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7913   12.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0129    9.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2709    8.8553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8982    8.6686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309    8.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3524    6.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8504    6.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455    6.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2739    5.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9915    8.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280    8.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8595    9.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6725   10.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9404    5.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7573    4.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6213    6.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1193    6.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8003    8.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9833    9.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4854    9.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8044    7.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    0.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1768   -1.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3425   -2.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6005   -1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2123   -0.0643    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  6
 29 31  1  0
 31 32  1  6
 32 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  6
 36 37  1  0
 36 38  1  0
 35 39  1  0
 39 40  2  0
 39 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 43 45  1  0
 43 46  1  0
 19 47  1  0
 47 48  1  0
 47 49  1  0
 47 50  1  0
 15 51  1  0
 51 52  1  0
 51 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  2  0
 56 57  1  0
 57 58  2  0
 11 59  1  0
 59 60  2  0
 60 61  1  0
 61 62  2  0
 62 63  1  0
 42 21  1  0
 58 53  1  0
 63 59  1  0
 31 26  1  0
M  END
