@<TRIPOS>MOLECULE
BindingDB_5590
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.2326   45.4373   51.8414  C     
2    C         7.8763   43.7555   50.2662  C     
3    C         9.5133   45.2782   51.0632  C     
4    C         8.5530   45.9181   51.8691  C     
5    N         6.9473   44.3759   51.0440  N     
6    N         9.1520   44.2241   50.2867  N     
7    O         6.3038   46.0011   52.6786  O     
8    N        10.7901   45.6901   51.0697  N     
9    N         7.5876   42.7062   49.4573  N     
10   C         4.9502   46.1194   52.1852  C     
11   C         4.1074   46.9469   53.1991  C     
12   C         2.6456   47.2148   52.6979  C     
13   C         1.6927   45.9994   52.8700  C     
14   C         1.7010   45.4546   54.3218  C     
15   C         3.1410   45.1207   54.7938  C     
16   C         4.0827   46.3468   54.6414  C     
17   C         6.3793   42.0916   49.2684  C     
18   C         4.1423   41.3713   49.9798  C     
19   C         3.8702   40.8866   48.6825  C     
20   C         4.8784   40.9588   47.6928  C     
21   C         6.1225   41.5484   47.9892  C     
22   C         5.3893   41.9497   50.2742  C     
23   N         1.2768   41.5550   47.8837  N     
24   S         2.2824   40.2774   48.3005  S     
25   O         2.3583   39.2642   47.0797  O     
26   O         1.6700   39.5449   49.5722  O     
27   H         8.8117   46.7067   52.4689  H     
28   H        11.4500   45.2378   50.5283  H     
29   H        11.0559   46.4365   51.6267  H     
30   H         8.3090   42.4051   48.8826  H     
31   H         4.9577   46.6391   51.2219  H     
32   H         4.5004   45.1326   52.0441  H     
33   H         4.5967   47.9265   53.2747  H     
34   H         2.2283   48.0527   53.2639  H     
35   H         2.6589   47.5110   51.6458  H     
36   H         0.6733   46.3069   52.6164  H     
37   H         1.9822   45.2041   52.1808  H     
38   H         1.2666   46.2041   54.9907  H     
39   H         1.0830   44.5520   54.3738  H     
40   H         3.1098   44.8167   55.8440  H     
41   H         3.5287   44.2805   54.2119  H     
42   H         5.0930   46.0594   54.9494  H     
43   H         3.7532   47.1174   55.3432  H     
44   H         3.4334   41.3253   50.7148  H     
45   H         4.7022   40.6103   46.7443  H     
46   H         6.8308   41.6079   47.2495  H     
47   H         5.5640   42.2572   51.2317  H     
48   H         0.3352   41.3944   47.7129  H     
49   H         1.6081   42.4679   47.9318  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1    7 1
     4    2    5 1
     5    2    6 2
     6    2    9 1
     7    3    4 2
     8    3    6 1
     9    3    8 1
    10    7   10 1
    11    9   17 1
    12   10   11 1
    13   11   12 1
    14   11   16 1
    15   12   13 1
    16   13   14 1
    17   14   15 1
    18   15   16 1
    19   17   21 2
    20   17   22 1
    21   18   19 1
    22   18   22 2
    23   19   20 2
    24   19   24 1
    25   20   21 1
    26   23   24 am
    27   24   25 2
    28   24   26 2
    29    4   27 1
    30    8   28 1
    31    8   29 1
    32    9   30 1
    33   10   31 1
    34   10   32 1
    35   11   33 1
    36   12   34 1
    37   12   35 1
    38   13   36 1
    39   13   37 1
    40   14   38 1
    41   14   39 1
    42   15   40 1
    43   15   41 1
    44   16   42 1
    45   16   43 1
    46   18   44 1
    47   20   45 1
    48   21   46 1
    49   22   47 1
    50   23   48 1
    51   23   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9272
  Crash		| -0.4852
  Polar		| 3.3817
  FragIndex	| 1
  FragRMSD	| 0.513