@<TRIPOS>MOLECULE
BindingDB_11397
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3431    3.8468   14.7134  C     
2    C        -3.3554    4.9982   13.9874  C     
3    N        -4.5341    5.6144   13.6264  N     
4    C        -4.7291    6.4601   12.4751  C     
5    S        -5.9511    5.3760   14.5271  S     
6    O        -6.2180    6.4535   15.6645  O     
7    O        -7.2232    5.1417   13.6019  O     
8    C        -4.4586    3.2385   15.2803  C     
9    C        -5.7084    3.8547   15.2805  C     
10   C        -4.4730    1.9888   15.9402  C     
11   C        -5.7241    1.6052   16.4429  C     
12   S        -6.8426    2.8613   16.0963  S     
13   N        -5.4245   -1.2124   16.6072  N     
14   S        -6.1375    0.1500   17.2856  S     
15   O        -5.6163    0.3314   18.7752  O     
16   O        -7.7189   -0.0052   17.2888  O     
17   C        -2.0558    5.5572   13.5530  C     
18   C        -1.8572    8.9628   15.3724  C     
19   C        -1.9331    7.4224   15.2294  C     
20   C        -0.7024    7.6049   13.0968  C     
21   C        -0.6355    9.1390   13.3035  C     
22   N        -1.8992    7.0329   13.7873  N     
23   O        -0.6917    9.4776   14.7035  O     
24   H        -2.4757    3.3898   14.8792  H     
25   H        -5.0422    7.4544   12.8129  H     
26   H        -5.5141    6.0555   11.8335  H     
27   H        -3.8448    6.5754   11.8493  H     
28   H        -3.6405    1.4032   16.0426  H     
29   H        -5.5018   -2.0744   17.0528  H     
30   H        -4.8408   -1.1198   15.8371  H     
31   H        -1.2023    5.0568   14.0230  H     
32   H        -1.9712    5.3367   12.4865  H     
33   H        -2.7587    9.4229   14.9570  H     
34   H        -1.7965    9.2312   16.4276  H     
35   H        -1.1027    6.9722   15.7764  H     
36   H        -2.8630    7.0765   15.6788  H     
37   H        -0.7629    7.4096   12.0245  H     
38   H         0.2162    7.1505   13.4768  H     
39   H         0.3033    9.5188   12.8961  H     
40   H        -1.4565    9.6258   12.7693  H     
41   H        -2.7065    7.4893   13.3617  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    8 1
     3    2    3 1
     4    2   17 1
     5    3    4 1
     6    3    5 1
     7    5    6 2
     8    5    7 2
     9    5    9 1
    10    8    9 2
    11    8   10 1
    12    9   12 1
    13   10   11 2
    14   11   12 1
    15   11   14 1
    16   13   14 am
    17   14   15 2
    18   14   16 2
    19   17   22 1
    20   18   19 1
    21   18   23 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   21   23 1
    26    1   24 1
    27    4   25 1
    28    4   26 1
    29    4   27 1
    30   10   28 1
    31   13   29 1
    32   13   30 1
    33   17   31 1
    34   17   32 1
    35   18   33 1
    36   18   34 1
    37   19   35 1
    38   19   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7748
  Crash		| -2.8848
  Polar		| 0.7084
  FragIndex	| 1
  FragRMSD	| 0.367