@<TRIPOS>MOLECULE
BindingDB_11451
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.4087   27.6683    6.0118  C     
2    C         4.4022   28.6501    5.9157  C     
3    C         3.6158   28.9905    7.0366  C     
4    C         3.9479   28.4049    8.2841  C     
5    C         4.9607   27.4368    8.3863  C     
6    C         5.6780   27.0385    7.2434  C     
7    N         2.5677   29.8442    6.8516  N     
8    C         1.4947   30.0044    7.6469  C     
9    C         0.8737   28.9453    8.2150  C     
10   C        -0.1622   29.0922    9.1527  C     
11   C        -0.0913   31.4174    8.6646  C     
12   C         0.4711   33.2894    7.8424  C     
13   N        -0.6282   30.3690    9.3383  N     
14   N         0.9531   31.2230    7.8317  N     
15   N         1.3041   32.3680    7.3302  N     
16   N        -0.4069   32.7165    8.6796  N     
17   N         6.1714   24.2739    7.7783  N     
18   S         6.8479   25.7571    7.3727  S     
19   O         7.8191   25.5956    6.1244  O     
20   O         7.7865   26.1308    8.6010  O     
21   N        -0.6765   28.0246    9.8661  N     
22   C        -1.5171   28.2700   11.0328  C     
23   C        -0.8317   29.1667   12.0936  C     
24   C        -0.4421   26.6304    9.4737  C     
25   C         0.8777   25.9947   10.0006  C     
26   H         5.9216   27.3988    5.1696  H     
27   H         4.1991   29.0639    5.0003  H     
28   H         3.4492   28.6743    9.1348  H     
29   H         5.1540   27.0128    9.2981  H     
30   H         2.5653   30.3517    6.0226  H     
31   H         1.1865   28.0450    7.9931  H     
32   H         0.5094   34.2857    7.6314  H     
33   H         6.4148   23.8431    8.6133  H     
34   H         5.5944   23.8154    7.1467  H     
35   H        -2.4564   28.7205   10.7153  H     
36   H        -1.7978   27.3503   11.5532  H     
37   H         0.1292   28.7378   12.3844  H     
38   H        -1.4603   29.2383   12.9823  H     
39   H        -0.6657   30.1751   11.7129  H     
40   H        -1.2619   25.9878    9.8070  H     
41   H        -0.4679   26.5527    8.3851  H     
42   H         1.6691   26.0007    9.2381  H     
43   H         0.7066   24.9512   10.2758  H     
44   H         1.2311   26.5253   10.8848  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   18 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   21 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 am
    22   18   19 2
    23   18   20 2
    24   21   22 1
    25   21   24 1
    26   22   23 1
    27   24   25 1
    28    1   26 1
    29    2   27 1
    30    4   28 1
    31    5   29 1
    32    7   30 1
    33    9   31 1
    34   12   32 1
    35   17   33 1
    36   17   34 1
    37   22   35 1
    38   22   36 1
    39   23   37 1
    40   23   38 1
    41   23   39 1
    42   24   40 1
    43   24   41 1
    44   25   42 1
    45   25   43 1
    46   25   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9339
  Crash		| -1.5907
  Polar		| 4.2644
  FragIndex	| 1
  FragRMSD	| 0.273