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


@<TRIPOS>ATOM
1    C        13.2952   -8.7450   11.6346  C     
2    C        11.5682  -10.3450   12.0433  C     
3    C        13.1941   -9.9381   13.7334  C     
4    C        13.8313   -8.9950   12.9106  C     
5    N        12.1880   -9.4351   11.2433  N     
6    N        12.0903  -10.5832   13.2769  N     
7    O        13.9501   -7.8328   10.8482  O     
8    N        13.6784  -10.1928   14.9609  N     
9    N        10.4769  -11.0632   11.6895  N     
10   C        13.2199   -7.1167    9.8326  C     
11   C        13.3898   -7.7205    8.4045  C     
12   C        12.8888   -6.7202    7.3154  C     
13   C        13.0697   -7.2903    5.8835  C     
14   C        14.5407   -7.7009    5.6163  C     
15   C        15.0689   -8.6889    6.6874  C     
16   C        14.8674   -8.1412    8.1258  C     
17   C         9.7079  -11.0148   10.5607  C     
18   C         8.6763   -9.9065    8.6283  C     
19   C         7.9371  -11.0716    8.3330  C     
20   C         8.0903  -12.2073    9.1531  C     
21   C         8.9582  -12.1734   10.2600  C     
22   C         9.5468   -9.8778    9.7342  C     
23   N         7.5805  -11.8390    5.6168  N     
24   S         6.8632  -11.1311    6.9614  S     
25   O         5.5019  -11.9023    7.2496  O     
26   O         6.4327   -9.6642    6.5199  O     
27   H        14.6624   -8.4959   13.2359  H     
28   H        13.2443  -10.8272   15.5536  H     
29   H        14.4737   -9.7287   15.2670  H     
30   H        10.2045  -11.7365   12.3320  H     
31   H        12.1581   -7.0398   10.0939  H     
32   H        13.6195   -6.1008    9.8291  H     
33   H        12.7703   -8.6200    8.3454  H     
34   H        11.8305   -6.4857    7.4775  H     
35   H        13.4477   -5.7812    7.3917  H     
36   H        12.4154   -8.1572    5.7509  H     
37   H        12.7749   -6.5310    5.1545  H     
38   H        14.6124   -8.1643    4.6298  H     
39   H        15.1728   -6.8077    5.6101  H     
40   H        14.5506   -9.6450    6.5859  H     
41   H        16.1347   -8.8717    6.5172  H     
42   H        15.5287   -7.2818    8.2703  H     
43   H        15.1707   -8.9159    8.8335  H     
44   H         8.5831   -9.0678    8.0497  H     
45   H         7.5657  -13.0639    8.9582  H     
46   H         9.0410  -13.0081   10.8480  H     
47   H        10.0324   -9.0083    9.9466  H     
48   H         7.8082  -11.2969    4.8446  H     
49   H         7.8427  -12.7730    5.6474  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	| 9.6400
  Crash		| -0.5097
  Polar		| 4.1606
  FragIndex	| 1
  FragRMSD	| 0.542