@<TRIPOS>MOLECULE
BindingDB_50151337
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        26.6371   43.4136   14.0649  S     
2    N        26.3697   44.3403   12.6663  N     
3    C        27.2833   44.1753   15.4953  C     
4    C        28.0448   44.0078   17.8286  C     
5    N        29.1092   43.8474   20.0778  N     
6    C        27.5038   43.4155   16.6631  C     
7    C        28.3409   45.3989   17.8386  C     
8    O        25.2709   42.6943   14.4311  O     
9    O        27.5024   42.1287   13.7031  O     
10   C        28.2899   43.1795   19.0385  C     
11   C        27.6002   45.5496   15.5053  C     
12   C        28.9214   46.0716   19.0282  C     
13   C        28.1177   46.1506   16.6632  C     
14   O        26.0073   46.0405   10.4362  O     
15   C        27.5060   44.6664   11.8370  C     
16   C        25.2207   45.2109   12.6240  C     
17   C        28.7627   45.2574   20.3513  C     
18   F        29.4208   45.1196   22.6705  F     
19   C        27.0713   45.0723   10.4038  C     
20   C        24.8455   45.5884   11.1661  C     
21   C        29.6350   45.8150   21.5020  C     
22   H        29.0358   43.3013   20.9374  H     
23   H        30.0790   43.8139   19.7738  H     
24   H        27.2793   42.4166   16.6576  H     
25   H        27.3301   42.8835   19.4652  H     
26   H        28.8210   42.2658   18.7530  H     
27   H        27.4592   46.1283   14.6746  H     
28   H        29.9830   46.2411   18.8226  H     
29   H        28.4512   47.0465   19.1690  H     
30   H        28.3355   47.1482   16.6501  H     
31   H        28.0419   45.5057   12.2943  H     
32   H        28.1952   43.8200   11.7537  H     
33   H        24.3470   44.7436   13.0855  H     
34   H        25.4523   46.1272   13.1774  H     
35   H        27.7200   45.3145   20.6696  H     
36   H        26.7492   44.1921    9.8412  H     
37   H        27.9212   45.5160    9.8811  H     
38   H        24.1075   46.3945   11.1766  H     
39   H        24.3983   44.7242   10.6604  H     
40   H        30.6990   45.7398   21.2480  H     
41   H        29.3921   46.8659   21.6874  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    8 2
     4    1    9 2
     5    2   15 1
     6    2   16 1
     7    3    6 1
     8    3   11 2
     9    4    6 2
    10    4    7 1
    11    4   10 1
    12    5   10 1
    13    5   17 1
    14    7   12 1
    15    7   13 2
    16   11   13 1
    17   12   17 1
    18   14   19 1
    19   14   20 1
    20   15   19 1
    21   16   20 1
    22   17   21 1
    23   18   21 1
    24    5   22 1
    25    5   23 1
    26    6   24 1
    27   10   25 1
    28   10   26 1
    29   11   27 1
    30   12   28 1
    31   12   29 1
    32   13   30 1
    33   15   31 1
    34   15   32 1
    35   16   33 1
    36   16   34 1
    37   17   35 1
    38   19   36 1
    39   19   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9140
  Crash		| -0.8087
  Polar		| 2.4030
  FragIndex	| 1
  FragRMSD	| 0.301