@<TRIPOS>MOLECULE
BindingDB_11424
 48 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.4588    3.9556   15.3272  C     
2    C        -3.4895    5.1442   14.6711  C     
3    N        -4.6435    5.5742   14.0506  N     
4    S        -6.1305    5.2987   14.8166  S     
5    O        -6.5791    6.3907   15.8879  O     
6    O        -7.3200    4.9355   13.8223  O     
7    C        -4.5853    3.2462   15.7222  C     
8    C        -5.8618    3.7826   15.6139  C     
9    C        -4.5868    1.9666   16.3411  C     
10   C        -5.8599    1.5024   16.7048  C     
11   S        -7.0155    2.6892   16.2792  S     
12   N        -5.6252   -1.3012   16.5711  N     
13   S        -6.2716   -0.0209   17.4278  S     
14   O        -5.5970   -0.0488   18.8692  O     
15   O        -7.8505   -0.1873   17.5779  O     
16   C        -2.2212    5.8723   14.4774  C     
17   C        -4.6819    5.9180   12.6440  C     
18   C        -0.0855    8.3710   13.9344  C     
19   C        -1.4537    7.9985   13.3050  C     
20   C        -2.4731    8.1561   15.5610  C     
21   C        -1.0919    8.6099   16.1076  C     
22   N        -2.3891    7.3559   14.2898  N     
23   O        -0.2810    9.2157   15.0809  O     
24   C        -5.3412    7.2944   12.3024  C     
25   C        -6.7818    7.2166   11.7306  C     
26   O        -6.8938    6.2126   10.7291  O     
27   H        -2.5814    3.5768   15.5826  H     
28   H        -3.7430    1.4327   16.4998  H     
29   H        -5.3290   -2.0955   17.0477  H     
30   H        -5.3256   -1.1677   15.6564  H     
31   H        -1.5221    5.7135   15.3024  H     
32   H        -1.7495    5.4353   13.5961  H     
33   H        -3.6853    5.9244   12.2183  H     
34   H        -5.2011    5.1231   12.0831  H     
35   H         0.4621    7.4653   14.2105  H     
36   H         0.5066    8.9169   13.2027  H     
37   H        -1.9254    8.9256   12.9414  H     
38   H        -1.2986    7.3673   12.4346  H     
39   H        -3.0040    7.6031   16.3369  H     
40   H        -3.0647    9.0557   15.3468  H     
41   H        -1.2530    9.3590   16.8831  H     
42   H        -0.5604    7.7668   16.5557  H     
43   H        -3.2973    7.4631   13.8622  H     
44   H        -5.3593    7.9442   13.1720  H     
45   H        -4.7299    7.8094   11.5426  H     
46   H        -7.4865    6.9880   12.5477  H     
47   H        -7.0812    8.1901   11.3152  H     
48   H        -6.4661    6.6046    9.9164  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   17 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   22 1
    20   17   24 1
    21   18   19 1
    22   18   23 1
    23   19   22 1
    24   20   21 1
    25   20   22 1
    26   21   23 1
    27   24   25 1
    28   25   26 1
    29    1   27 1
    30    9   28 1
    31   12   29 1
    32   12   30 1
    33   16   31 1
    34   16   32 1
    35   17   33 1
    36   17   34 1
    37   18   35 1
    38   18   36 1
    39   19   37 1
    40   19   38 1
    41   20   39 1
    42   20   40 1
    43   21   41 1
    44   21   42 1
    45   22   43 1
    46   24   44 1
    47   24   45 1
    48   25   46 1
    49   25   47 1
    50   26   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8804
  Crash		| -2.3330
  Polar		| 2.6704
  FragIndex	| 1
  FragRMSD	| 0.739