@<TRIPOS>MOLECULE
BindingDB_25772
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        52.2380   49.4443   34.6876  C     
2    C        52.8640   48.1849   34.7192  C     
3    C        52.2786   47.1292   35.4403  C     
4    C        51.0686   47.3419   36.1250  C     
5    C        50.4426   48.5965   36.0855  C     
6    C        51.0160   49.6738   35.3697  C     
7    C        50.3462   50.8976   35.2509  C     
8    O        50.3366   51.3578   34.1139  O     
9    C        48.7490   52.6356   35.9423  C     
10   C        49.8777   51.2975   37.6513  C     
11   C        50.2897   52.6127   38.3713  C     
12   C        49.1622   53.9450   36.6722  C     
13   N        49.6842   51.5524   36.2307  N     
14   N        49.3456   53.6899   38.0914  N     
15   C        48.6748   54.3927   39.0694  C     
16   C        48.2786   55.7478   38.8775  C     
17   C        48.3275   53.8053   40.3151  C     
18   C        47.6146   54.5155   41.2972  C     
19   C        47.2382   55.8496   41.0719  C     
20   C        47.5712   56.4679   39.8579  C     
21   H        52.6782   50.1944   34.1486  H     
22   H        53.7360   48.0281   34.2135  H     
23   H        52.7267   46.2116   35.4621  H     
24   H        50.6316   46.5747   36.6330  H     
25   H        49.5398   48.7114   36.5573  H     
26   H        47.7509   52.3334   36.2904  H     
27   H        48.6464   52.8684   34.8769  H     
28   H        50.6456   50.5526   37.8658  H     
29   H        48.9388   50.9326   38.0786  H     
30   H        50.4402   52.4106   39.4306  H     
31   H        51.2713   52.9202   37.9963  H     
32   H        50.1005   54.3250   36.2549  H     
33   H        48.3816   54.6776   36.4553  H     
34   H        48.5413   56.2591   38.0348  H     
35   H        48.5463   52.8316   40.5147  H     
36   H        47.3581   54.0589   42.1755  H     
37   H        46.7139   56.3683   41.7814  H     
38   H        47.3201   57.4500   39.6920  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    6    7 1
     8    7    8 2
     9    7   13 1
    10    9   12 1
    11    9   13 1
    12   10   11 1
    13   10   13 1
    14   11   14 1
    15   12   14 1
    16   14   15 1
    17   15   16 2
    18   15   17 1
    19   16   20 1
    20   17   18 2
    21   18   19 1
    22   19   20 2
    23    1   21 1
    24    2   22 1
    25    3   23 1
    26    4   24 1
    27    5   25 1
    28    9   26 1
    29    9   27 1
    30   10   28 1
    31   10   29 1
    32   11   30 1
    33   11   31 1
    34   12   32 1
    35   12   33 1
    36   16   34 1
    37   17   35 1
    38   18   36 1
    39   19   37 1
    40   20   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4276
  Crash		| -1.0590
  Polar		| 1.0411
  FragIndex	| 1
  FragRMSD	| 0.279