@<TRIPOS>MOLECULE
BindingDB_11934
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.1870    4.0281   14.2639  C     
2    C        -3.4183    5.3876   13.5182  C     
3    N        -3.9856    6.4370   14.3282  N     
4    S        -5.4811    6.1193   15.0431  S     
5    O        -6.7123    6.3900   14.0762  O     
6    O        -5.6407    6.8616   16.4393  O     
7    C        -4.3417    3.6077   15.1153  C     
8    C        -5.4206    4.4444   15.4453  C     
9    C        -4.4606    2.3350   15.7185  C     
10   C        -5.6289    2.1408   16.4672  C     
11   S        -6.5384    3.5981   16.4356  S     
12   O        -5.9023   -0.5604   16.3859  O     
13   O        -5.1184    0.4358   18.5636  O     
14   S        -6.0820    0.7043   17.3282  S     
15   N        -7.6622    0.6406   17.8788  N     
16   C        -3.3309    7.7052   14.5305  C     
17   C        -2.3211    7.6787   15.7122  C     
18   O        -1.2473    8.6277   15.5480  O     
19   C        -1.5230    9.9827   15.9562  C     
20   N        -2.8567    2.9259   13.3151  N     
21   C        -1.8041    3.1529   12.2955  C     
22   C        -1.4112    1.8320   11.6048  C     
23   H        -2.3373    4.1607   14.9383  H     
24   H        -2.4656    5.7219   13.0964  H     
25   H        -4.0936    5.2266   12.6713  H     
26   H        -3.7568    1.6043   15.6261  H     
27   H        -8.3311    0.1644   17.3579  H     
28   H        -7.8699    0.9582   18.7745  H     
29   H        -2.7965    7.9902   13.6183  H     
30   H        -4.0635    8.4990   14.7158  H     
31   H        -2.8387    7.8410   16.6655  H     
32   H        -1.8516    6.6894   15.7487  H     
33   H        -2.4073   10.3860   15.4574  H     
34   H        -0.6696   10.6011   15.6794  H     
35   H        -1.6592   10.0347   17.0432  H     
36   H        -2.5291    2.1432   13.8771  H     
37   H        -3.7127    2.6432   12.8349  H     
38   H        -2.1727    3.8418   11.5338  H     
39   H        -0.9194    3.5812   12.7660  H     
40   H        -0.9344    1.1552   12.3163  H     
41   H        -0.7099    2.0306   10.7914  H     
42   H        -2.2911    1.3396   11.1854  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1   20 1
     4    2    3 1
     5    3    4 1
     6    3   16 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   14 1
    16   12   14 2
    17   13   14 2
    18   14   15 am
    19   16   17 1
    20   17   18 1
    21   18   19 1
    22   20   21 1
    23   21   22 1
    24    1   23 1
    25    2   24 1
    26    2   25 1
    27    9   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
    34   19   33 1
    35   19   34 1
    36   19   35 1
    37   20   36 1
    38   20   37 1
    39   21   38 1
    40   21   39 1
    41   22   40 1
    42   22   41 1
    43   22   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1398
  Crash		| -2.0041
  Polar		| 2.9067
  FragIndex	| 1
  FragRMSD	| 0.818