@<TRIPOS>MOLECULE
BindingDB_7762
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.2505   52.6235   15.7543  C     
2    C        -8.7089   50.7879   14.2148  C     
3    C        -9.3606   50.6432   13.0044  C     
4    C        -8.8625   52.1209   14.5983  C     
5    N        -9.6242   52.7263   13.6778  N     
6    C        -9.9250   51.8494   12.7429  C     
7    O       -10.6211   52.1517   11.7820  O     
8    N        -9.9392   49.4470   11.0417  N     
9    C        -9.8682   48.4184   10.1496  C     
10   C        -9.8468   46.3577    8.1794  C     
11   C        -8.9978   46.2784    9.3032  C     
12   C        -9.0078   47.2978   10.2794  C     
13   C       -10.7077   48.4831    9.0185  C     
14   C       -10.7038   47.4673    8.0441  C     
15   O        -8.9130   45.7642    5.7657  O     
16   S        -9.7784   45.1393    6.9461  S     
17   O        -8.9618   43.8334    7.3572  O     
18   C        -7.4909   51.7471   16.5595  C     
19   C        -9.3324   49.5401   12.2268  C     
20   N       -11.2582   44.7151    6.2632  N     
21   C        -7.3596   50.3858   16.2017  C     
22   C        -7.9658   49.8983   15.0236  C     
23   C       -11.9539   43.5517    6.6912  C     
24   H        -8.3366   53.6072   15.9971  H     
25   H        -9.9059   53.6546   13.7052  H     
26   H       -10.5311   50.1820   10.7868  H     
27   H        -8.3642   45.4850    9.4154  H     
28   H        -8.3710   47.2154   11.0736  H     
29   H       -11.3420   49.2808    8.8973  H     
30   H       -11.3268   47.5419    7.2339  H     
31   H        -7.0370   52.0970   17.4059  H     
32   H        -8.8386   48.7532   12.5669  H     
33   H       -11.4821   45.0910    5.3900  H     
34   H        -6.8174   49.7497   16.7927  H     
35   H        -7.8638   48.9139   14.7660  H     
36   H       -11.4380   42.6537    6.3355  H     
37   H       -12.9668   43.5728    6.2721  H     
38   H       -12.0248   43.5212    7.7824  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   18 1
     3    2    3 1
     4    2    4 1
     5    2   22 2
     6    3    6 1
     7    3   19 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   19 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   16 1
    18   11   12 1
    19   13   14 2
    20   15   16 2
    21   16   17 2
    22   16   20 1
    23   18   21 2
    24   20   23 1
    25   21   22 1
    26    1   24 1
    27    5   25 1
    28    8   26 1
    29   11   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   18   31 1
    34   19   32 1
    35   20   33 1
    36   21   34 1
    37   22   35 1
    38   23   36 1
    39   23   37 1
    40   23   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7206
  Crash		| -0.6257
  Polar		| 2.9373
  FragIndex	| 1
  FragRMSD	| 0.769