@<TRIPOS>MOLECULE
BindingDB_50292718
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        35.7491    4.1632   22.8755  C     
2    C        36.4724    3.0498   23.1213  C     
3    N        36.1264    2.1622   24.1027  N     
4    C        35.0088    2.4224   24.8188  C     
5    N        34.2974    3.5285   24.5899  N     
6    C        34.6536    4.3988   23.6463  C     
7    O        33.9714    5.4012   23.4854  O     
8    O        34.5884    1.6991   25.7133  O     
9    C        37.0086    1.0431   24.4004  C     
10   O        38.3220    1.5376   24.7001  O     
11   C        39.3012    0.5540   24.3233  C     
12   C        38.5678   -0.6077   23.5825  C     
13   C        37.2021    0.0183   23.2574  C     
14   O        36.1450   -0.9364   23.1913  O     
15   O        38.4457   -1.7629   24.4195  O     
16   C        40.3981    1.2319   23.4467  C     
17   N        40.9828    2.5365   23.8814  N     
18   C        40.1694    3.7564   23.6766  C     
19   C        40.9906    4.8663   24.3530  C     
20   C        41.8173    4.1353   25.4354  C     
21   C        41.4880    2.6374   25.2664  C     
22   H        36.0115    4.7912   22.1491  H     
23   H        37.2843    2.9030   22.5671  H     
24   H        33.5093    3.7148   25.1266  H     
25   H        36.6799    0.4934   25.2900  H     
26   H        39.7617    0.1714   25.2452  H     
27   H        39.0811   -0.9230   22.6654  H     
28   H        37.2772    0.5181   22.2883  H     
29   H        35.3956   -0.4296   22.8058  H     
30   H        39.3597   -2.1260   24.4777  H     
31   H        41.2299    0.5265   23.3679  H     
32   H        40.0040    1.3644   22.4391  H     
33   H        41.8031    2.6640   23.2788  H     
34   H        40.0291    3.9784   22.6192  H     
35   H        39.1914    3.6842   24.1626  H     
36   H        41.6568    5.3454   23.6232  H     
37   H        40.3456    5.6348   24.7900  H     
38   H        42.8916    4.3181   25.2933  H     
39   H        41.5355    4.4652   26.4382  H     
40   H        40.7194    2.3509   25.9908  H     
41   H        42.3769    2.0161   25.4226  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 1
     5    9    3 1
     6    4    5 1
     7    4    8 2
     8    5    6 1
     9    6    7 2
    10    9   10 1
    11    9   13 1
    12   10   11 1
    13   11   12 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   13   14 1
    18   16   17 1
    19   17   18 1
    20   17   21 1
    21   18   19 1
    22   19   20 1
    23   20   21 1
    24    1   22 1
    25    2   23 1
    26    5   24 1
    27    9   25 1
    28   11   26 1
    29   12   27 1
    30   13   28 1
    31   14   29 1
    32   15   30 1
    33   16   31 1
    34   16   32 1
    35   17   33 1
    36   18   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.0312
  Crash		| -0.8876
  Polar		| 3.2590
  FragIndex	| 1
  FragRMSD	| 0.754