@<TRIPOS>MOLECULE
BindingDB_11425
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.9770    3.7981   14.1593  C     
2    C        -2.7295    4.9739   13.5228  C     
3    N        -3.5749    6.0540   13.6509  N     
4    S        -5.1852    5.8822   14.1678  S     
5    O        -5.5930    6.8543   15.3575  O     
6    O        -6.2251    5.8317   12.9670  O     
7    C        -4.1156    3.4935   14.8903  C     
8    C        -5.2134    4.3479   14.9380  C     
9    C        -4.3207    2.2909   15.5861  C     
10   C        -5.5718    2.1971   16.1962  C     
11   S        -6.4678    3.6291   15.8623  S     
12   N        -7.6690    1.0788   17.7991  N     
13   S        -6.1302    0.8653   17.1719  S     
14   O        -6.0072   -0.5199   16.4053  O     
15   O        -5.1534    0.7893   18.4191  O     
16   C        -1.6237    4.9827   12.5513  C     
17   C         0.7722    5.6411   12.1388  C     
18   N        -0.2961    5.3612   13.1244  N     
19   C        -3.1525    7.3465   13.5079  C     
20   C        -2.3922    7.9554   14.5264  C     
21   C        -1.9997    9.3034   14.4177  C     
22   C        -2.3378   10.0453   13.2682  C     
23   C        -3.1111    9.4511   12.2554  C     
24   C        -3.5303    8.1122   12.3798  C     
25   O        -1.3397    9.9199   15.4358  O     
26   C         1.9535    5.0848   12.5257  C     
27   C         3.0321    4.6567   12.8615  C     
28   H        -2.3207    3.0515   14.0441  H     
29   H        -3.6362    1.5500   15.6381  H     
30   H        -7.7834    1.0670   18.7646  H     
31   H        -8.3751    1.4452   17.2320  H     
32   H        -1.5837    3.9856   12.0936  H     
33   H        -1.8224    5.6658   11.7244  H     
34   H         0.5046    5.2260   11.1647  H     
35   H         0.9462    6.7150   12.0144  H     
36   H        -0.4415    6.1900   13.7109  H     
37   H         0.0523    4.6146   13.7351  H     
38   H        -2.1438    7.4255   15.3685  H     
39   H        -2.0451   11.0156   13.1749  H     
40   H        -3.3794    9.9924   11.4311  H     
41   H        -4.1015    7.6898   11.6375  H     
42   H        -0.4517    9.4846   15.4674  H     
43   H         3.8364    4.3105   13.1395  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   19 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   18 1
    20   17   18 1
    21   17   26 1
    22   19   20 2
    23   19   24 1
    24   20   21 1
    25   21   22 2
    26   21   25 1
    27   22   23 1
    28   23   24 2
    29   26   27 3
    30    1   28 1
    31    9   29 1
    32   12   30 1
    33   12   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   17   35 1
    38   18   36 1
    39   18   37 1
    40   20   38 1
    41   22   39 1
    42   23   40 1
    43   24   41 1
    44   25   42 1
    45   27   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0546
  Crash		| -2.1551
  Polar		| 6.1559
  FragIndex	| 1
  FragRMSD	| 0.925