@<TRIPOS>MOLECULE
BindingDB_13438
 43 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        43.9530   14.1493   15.9264  C     
2    C        43.3106   15.0919   15.1072  C     
3    C        42.1561   14.7293   14.3833  C     
4    C        41.6237   13.4298   14.5175  C     
5    N        41.5442   15.6524   13.6145  N     
6    O        43.5414   16.7721   12.1065  O     
7    S        42.0865   15.9167   12.0422  S     
8    O        42.3544   14.4677   11.2138  O     
9    O        40.9648   16.8646   11.2151  O     
10   C        42.2335   12.4908   15.3803  C     
11   C        43.4187   12.8496   16.0672  C     
12   C        41.6163   11.1524   15.5871  C     
13   C        44.1052   11.8269   16.8802  C     
14   C        43.1090   10.8811   17.6114  C     
15   N        42.0873   10.3321   16.7117  N     
16   C        42.5081   11.5275   18.7800  C     
17   O        43.1147   11.5045   19.8416  O     
18   N        41.3381   12.1469   18.6821  N     
19   C        40.6419   12.8724   19.6917  C     
20   C        41.5359    9.1191   16.9545  C     
21   O        41.9306    8.4558   17.9108  O     
22   C        40.4773    6.9856   15.9513  C     
23   C        40.4479    8.5270   16.1636  C     
24   C        40.0273    6.5307   14.6199  C     
25   O        39.5488    5.2747   14.4800  O     
26   O        39.9650    7.3528   13.5498  O     
27   H        44.8124   14.4184   16.4151  H     
28   H        43.7039   16.0342   15.0201  H     
29   H        40.7687   13.1780   14.0096  H     
30   H        41.2072   16.4338   14.0748  H     
31   H        40.5414   11.3096   15.7144  H     
32   H        41.7755   10.6101   14.6509  H     
33   H        44.7026   11.2260   16.1903  H     
34   H        44.7865   12.2877   17.6024  H     
35   H        43.7529   10.0673   17.9639  H     
36   H        40.8993   12.1059   17.8221  H     
37   H        41.1904   12.9330   20.6324  H     
38   H        39.6822   12.3845   19.8751  H     
39   H        40.4598   13.8829   19.3291  H     
40   H        41.5042    6.6416   16.0871  H     
41   H        39.8509    6.4999   16.7038  H     
42   H        39.5032    8.7850   16.6526  H     
43   H        40.4554    8.9801   15.1679  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   11 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    7 1
     8    6    7 1
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   12 1
    13   11   13 1
    14   12   15 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   15   20 am
    19   16   17 2
    20   16   18 am
    21   18   19 1
    22   20   21 2
    23   20   23 1
    24   22   23 1
    25   22   24 1
    26   24   25 2
    27   24   26 1
    28    1   27 1
    29    2   28 1
    30    4   29 1
    31    5   30 1
    32   12   31 1
    33   12   32 1
    34   13   33 1
    35   13   34 1
    36   14   35 1
    37   18   36 1
    38   19   37 1
    39   19   38 1
    40   19   39 1
    41   22   40 1
    42   22   41 1
    43   23   42 1
    44   23   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6098
  Crash		| -1.0917
  Polar		| 5.6203
  FragIndex	| 1
  FragRMSD	| 0.836