@<TRIPOS>MOLECULE
BindingDB_14798
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5485   44.6582   11.4565  C     
2    C        14.1971   45.4676   10.5277  C     
3    N        14.4298   44.3726   12.4288  N     
4    N        15.5715   44.9516   12.2022  N     
5    C        12.1781   44.1197   11.4137  C     
6    C        13.7050   45.9428    9.2927  C     
7    O        14.5767   46.2613    8.3105  O     
8    O        12.3681   46.0425    9.0728  O     
9    C        11.6987   46.5162    7.8974  C     
10   C        12.0913   45.7625    6.6123  C     
11   C        16.6714   44.7521   13.0073  C     
12   C        17.9735   44.6319   12.4574  C     
13   C        19.0865   44.4167   13.2845  C     
14   C        18.9163   44.2941   14.6755  C     
15   C        17.6340   44.3926   15.2694  C     
16   C        16.5250   44.6178   14.4114  C     
17   C        15.4672   45.6879   11.0681  C     
18   C        16.4500   46.6622   10.5439  C     
19   N        17.4840   44.2822   16.6243  N     
20   O        16.4183   44.4037   17.1774  O     
21   O        18.4923   44.0661   17.4282  O     
22   H        11.4553   44.9364   11.4423  H     
23   H        11.9965   43.4628   12.2653  H     
24   H        12.0381   43.5466   10.4962  H     
25   H        10.6301   46.3857    8.0582  H     
26   H        11.8920   47.5840    7.7760  H     
27   H        13.1544   45.8820    6.4053  H     
28   H        11.5313   46.1609    5.7630  H     
29   H        11.8670   44.6989    6.7197  H     
30   H        18.1218   44.7103   11.4406  H     
31   H        20.0179   44.3412   12.8691  H     
32   H        19.7453   44.1316   15.2466  H     
33   H        15.5880   44.6970   14.8153  H     
34   H        16.8617   46.2897    9.6038  H     
35   H        17.2617   46.8132   11.2582  H     
36   H        15.9677   47.6290   10.3747  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   15   16 2
    19   15   19 am
    20   17   18 1
    21   19   20 2
    22   19   21 1
    23    5   22 1
    24    5   23 1
    25    5   24 1
    26    9   25 1
    27    9   26 1
    28   10   27 1
    29   10   28 1
    30   10   29 1
    31   12   30 1
    32   13   31 1
    33   14   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
    37   18   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6622
  Crash		| -0.9164
  Polar		| 1.1405
  FragIndex	| 1
  FragRMSD	| 0.544