
     RDKit          2D

 77 80  0  0  0  0  0  0  0  0999 V2000
  -11.3930   -7.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9623   -7.0484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8566   -8.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4259   -7.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3202   -8.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8895   -8.1739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5646   -6.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1340   -6.2587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8091   -4.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3784   -4.3435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9148   -3.7808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3455   -4.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4512   -3.2180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6704   -5.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1010   -6.1468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6374   -5.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2068   -5.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8819   -3.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9876   -2.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4183   -3.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7432   -4.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6627   -1.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2321   -0.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7685   -0.1773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4436    1.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5493    2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2244    3.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3302    4.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7608    4.3278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0053    6.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1110    7.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0974    8.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1246    6.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2167    8.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0129    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9072    0.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6880    3.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2574    3.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9325    5.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5018    5.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3961    4.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9654    5.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6405    6.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7463    7.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1769    7.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1516    2.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4765    1.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7210    3.0904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6152    2.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1846    2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0788    1.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518    1.9649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4576    0.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8882    1.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9940    0.3886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4246    0.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5304   -0.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9610    0.2766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0668   -0.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4974   -0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6032   -1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0338   -0.8489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1396   -1.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8147   -3.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5702   -1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8951    0.0528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3258    0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4315   -0.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6507    1.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0813    2.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4062    3.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8369    4.3340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3005    4.8968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6760   -2.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6895   -1.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6624   -3.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7817   -3.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  2 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  1
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
 25 35  1  0
 35 36  2  0
 35 37  1  0
 37 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  2  0
 46 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 64  2  0
 63 65  1  0
 65 66  1  1
 66 67  1  0
 67 68  2  0
 67 69  1  0
 69 70  1  0
 70 71  1  0
 71 72  1  0
 71 73  2  0
 65 74  1  0
 74 75  1  0
 74 76  1  0
 74 77  1  0
 15  4  1  0
 21 16  1  0
 45 40  1  0
 14  7  1  0
M  END
$$$$
