@<TRIPOS>MOLECULE
BindingDB_26466
 49 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.7922   -3.7192   21.5700  C     
2    C        19.6953   -1.5850   20.8469  C     
3    C        20.6432   -0.7849   20.1872  C     
4    C        20.5082    0.5599   20.1693  C     
5    C        19.4487    1.1728   20.7981  C     
6    C        18.4539    0.4478   21.3589  C     
7    C        18.4913   -0.9349   21.3337  C     
8    C        17.4146   -1.7202   21.7779  C     
9    C        17.5879   -3.1006   21.9383  C     
10   C        19.8543   -2.9908   21.0123  C     
11   O        21.1946   -5.4229   21.0138  O     
12   O        21.4062   -3.8357   18.9841  O     
13   S        21.3005   -3.8942   20.5719  S     
14   N        22.7062   -3.2973   21.3055  N     
15   C        24.0656   -3.5215   20.8937  C     
16   C        24.2630   -4.8310   20.2252  C     
17   O        24.9517   -5.8101   20.8700  O     
18   O        24.0749   -4.9824   18.8967  O     
19   C        24.6033   -2.3154   20.0667  C     
20   C        26.0970   -2.4340   19.6218  C     
21   C        26.9246   -1.2895   20.0333  C     
22   O        27.5104   -1.2668   21.2533  O     
23   O        27.1962   -0.2947   19.1593  O     
24   O        16.2172   -1.1885   22.1827  O     
25   C        15.6129   -0.1680   21.3542  C     
26   C        14.0472   -0.3827   21.3919  C     
27   C        13.1523    0.8276   21.7352  C     
28   C        12.8307    1.7999   20.5672  C     
29   H        18.8582   -4.7406   21.7172  H     
30   H        21.4106   -1.2034   19.7016  H     
31   H        21.1877    1.0938   19.6813  H     
32   H        19.4385    2.1629   20.8252  H     
33   H        17.6581    0.9185   21.7888  H     
34   H        16.8344   -3.6506   22.3309  H     
35   H        22.5787   -2.7581   22.1016  H     
36   H        24.6417   -3.5427   21.8267  H     
37   H        23.9775   -2.2074   19.1755  H     
38   H        24.4649   -1.4089   20.6614  H     
39   H        26.5563   -3.3422   20.0267  H     
40   H        26.1311   -2.5214   18.5332  H     
41   H        15.9248    0.8307   21.7190  H     
42   H        15.9341   -0.2394   20.3028  H     
43   H        13.7020   -0.7731   20.4224  H     
44   H        13.8087   -1.1528   22.1409  H     
45   H        12.1758    0.4647   22.1117  H     
46   H        13.6261    1.3875   22.5501  H     
47   H        13.7550    2.2363   20.1811  H     
48   H        12.1850    2.6054   20.9311  H     
49   H        12.3124    1.2805   19.7548  H     
@<TRIPOS>BOND
     1    1    9 2
     2    1   10 1
     3    2    3 1
     4    2    7 1
     5    2   10 2
     6    3    4 2
     7    4    5 1
     8    5    6 2
     9    6    7 1
    10    7    8 2
    11    8    9 1
    12    8   24 1
    13   10   13 1
    14   11   13 2
    15   12   13 2
    16   13   14 1
    17   14   15 1
    18   15   16 1
    19   15   19 1
    20   16   17 2
    21   16   18 1
    22   19   20 1
    23   20   21 1
    24   21   22 2
    25   21   23 1
    26   24   25 1
    27   25   26 1
    28   26   27 1
    29   27   28 1
    30    1   29 1
    31    3   30 1
    32    4   31 1
    33    5   32 1
    34    6   33 1
    35    9   34 1
    36   14   35 1
    37   15   36 1
    38   19   37 1
    39   19   38 1
    40   20   39 1
    41   20   40 1
    42   25   41 1
    43   25   42 1
    44   26   43 1
    45   26   44 1
    46   27   45 1
    47   27   46 1
    48   28   47 1
    49   28   48 1
    50   28   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6104
  Crash		| -1.7527
  Polar		| 6.0416
  FragIndex	| 1
  FragRMSD	| 1.028