@<TRIPOS>MOLECULE
BindingDB_14794
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5427   45.1118   11.5516  C     
2    C        14.2903   45.3823   10.4030  C     
3    N        14.4052   44.8724   12.5487  N     
4    N        15.6312   44.9455   12.1244  N     
5    C        12.0817   45.1202   11.7472  C     
6    C        13.7956   45.8205    9.1500  C     
7    O        14.6476   46.2687    8.1971  O     
8    O        12.4576   45.9665    8.9553  O     
9    C        11.7686   46.5292    7.8331  C     
10   C        12.0267   45.7727    6.5162  C     
11   C        16.6847   44.8648   13.0052  C     
12   C        16.6651   43.9306   14.0664  C     
13   C        17.7124   43.8732   15.0033  C     
14   C        18.7926   44.7704   14.9269  C     
15   C        18.8156   45.7166   13.8787  C     
16   C        17.7647   45.7782   12.9495  C     
17   C        15.6243   45.2043   10.7911  C     
18   C        16.7884   45.2390    9.8745  C     
19   O        19.8084   44.6167   15.8372  O     
20   C        20.0142   45.7030   16.7640  C     
21   H        11.6893   46.1159   11.5309  H     
22   H        11.8289   44.8597   12.7780  H     
23   H        11.6156   44.3928   11.0794  H     
24   H        10.7029   46.4890    8.0574  H     
25   H        12.0489   47.5792    7.7246  H     
26   H        13.0689   45.8714    6.2188  H     
27   H        11.4001   46.1889    5.7253  H     
28   H        11.7885   44.7169    6.6403  H     
29   H        15.8867   43.2748   14.1624  H     
30   H        17.6832   43.1698   15.7466  H     
31   H        19.5963   46.3694   13.7862  H     
32   H        17.7903   46.5070   12.2330  H     
33   H        16.6022   44.5940    9.0125  H     
34   H        17.6934   44.8717   10.3568  H     
35   H        16.9534   46.2565    9.5265  H     
36   H        20.4840   46.5563   16.2648  H     
37   H        20.6953   45.3570   17.5400  H     
38   H        19.0796   46.0262   17.2408  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   14   19 1
    19   15   16 2
    20   17   18 1
    21   19   20 1
    22    5   21 1
    23    5   22 1
    24    5   23 1
    25    9   24 1
    26    9   25 1
    27   10   26 1
    28   10   27 1
    29   10   28 1
    30   12   29 1
    31   13   30 1
    32   15   31 1
    33   16   32 1
    34   18   33 1
    35   18   34 1
    36   18   35 1
    37   20   36 1
    38   20   37 1
    39   20   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0965
  Crash		| -0.6966
  Polar		| 1.1424
  FragIndex	| 1
  FragRMSD	| 0.237