@<TRIPOS>MOLECULE
BindingDB_50151331
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        27.3670   43.6901   13.9269  S     
2    C        27.8085   44.3623   15.4861  C     
3    N        27.9482   44.6251   12.6426  N     
4    C        28.4448   44.0899   17.8551  C     
5    N        29.3523   43.8802   20.1782  N     
6    C        28.5110   45.5049   17.9973  C     
7    O        27.9623   42.2160   13.8485  O     
8    O        25.7801   43.6262   13.8646  O     
9    C        28.0756   43.5355   16.6063  C     
10   C        28.7269   43.2004   19.0169  C     
11   C        28.9235   46.1372   19.2783  C     
12   C        27.8713   45.7595   15.6500  C     
13   C        28.2383   46.3273   16.8846  C     
14   C        28.7624   45.1994   20.5058  C     
15   C        27.9933   44.2056   11.2716  C     
16   F        28.8485   46.9783   22.1388  F     
17   C        29.4146   45.7820   21.7787  C     
18   C        26.7901   43.3352   10.8418  C     
19   C        28.1014   45.4392   10.3407  C     
20   H        28.4914   45.3994   12.8795  H     
21   H        29.2757   43.2654   20.9924  H     
22   H        30.3445   44.0163   19.9797  H     
23   H        28.0221   42.5211   16.5050  H     
24   H        27.7934   42.7378   19.3439  H     
25   H        29.4051   42.4010   18.7103  H     
26   H        29.9704   46.4296   19.1739  H     
27   H        28.3368   47.0404   19.4567  H     
28   H        27.6572   46.3817   14.8732  H     
29   H        28.2938   47.3463   16.9690  H     
30   H        27.6936   45.0539   20.7127  H     
31   H        28.9046   43.6138   11.1452  H     
32   H        29.2958   45.0905   22.6089  H     
33   H        30.4796   45.9345   21.6033  H     
34   H        26.7792   42.4245   11.4290  H     
35   H        26.8667   43.0604    9.7803  H     
36   H        25.8564   43.8705   10.9804  H     
37   H        27.2110   46.0702   10.4150  H     
38   H        28.2117   45.1173    9.3038  H     
39   H        28.9732   46.0337   10.6055  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    7 2
     4    1    8 2
     5    2    9 1
     6    2   12 2
     7    3   15 1
     8    4    6 1
     9    4    9 2
    10    4   10 1
    11    5   10 1
    12    5   14 1
    13    6   11 1
    14    6   13 2
    15   11   14 1
    16   12   13 1
    17   14   17 1
    18   15   18 1
    19   15   19 1
    20   16   17 1
    21    3   20 1
    22    5   21 1
    23    5   22 1
    24    9   23 1
    25   10   24 1
    26   10   25 1
    27   11   26 1
    28   11   27 1
    29   12   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   17   33 1
    35   18   34 1
    36   18   35 1
    37   18   36 1
    38   19   37 1
    39   19   38 1
    40   19   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2136
  Crash		| -6.4876
  Polar		| 2.6503
  FragIndex	| 1
  FragRMSD	| 1.069