@<TRIPOS>MOLECULE
BindingDB_50198037
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        11.1689   25.1979   16.1326  N     
2    C        11.6058   25.0268   17.4848  C     
3    C        12.2930   26.3274   18.0396  C     
4    C        13.5363   26.7100   17.1850  C     
5    C        11.3710   27.5746   18.1841  C     
6    P        10.3286   24.4325   18.3782  P     
7    O         9.8766   23.1794   17.8223  O     
8    O        10.7542   24.1229   19.8279  O     
9    O         9.1049   25.3699   18.4213  O     
10   S        11.9404   24.4869   14.8085  S     
11   C        11.0905   23.1393   14.1073  C     
12   O        13.4541   24.1455   15.1548  O     
13   O        12.0650   25.6281   13.7093  O     
14   C         9.7026   23.2350   13.8981  C     
15   C         8.9978   22.1653   13.3180  C     
16   C         9.6670   20.9837   12.9139  C     
17   C        11.0663   20.9026   13.1244  C     
18   C        11.7717   21.9677   13.7106  C     
19   C         8.9639   19.9265   12.2650  C     
20   C         9.1822   18.5707   12.6136  C     
21   C         8.4948   17.5334   11.9525  C     
22   C         7.5667   17.8392   10.9385  C     
23   C         7.3398   19.1781   10.5797  C     
24   C         8.0371   20.2111   11.2308  C     
25   F         8.7225   16.2890   12.2749  F     
26   H        10.4599   25.8410   15.9509  H     
27   H        12.3587   24.2347   17.5312  H     
28   H        12.6689   26.0991   19.0411  H     
29   H        14.2183   25.8624   17.1049  H     
30   H        14.0808   27.5363   17.6443  H     
31   H        13.2329   27.0148   16.1800  H     
32   H        10.9138   27.8336   17.2242  H     
33   H        11.9466   28.4352   18.5375  H     
34   H        10.5805   27.3924   18.9149  H     
35   H         9.1916   24.0802   14.1685  H     
36   H         7.9873   22.2603   13.1929  H     
37   H        11.5912   20.0733   12.8310  H     
38   H        12.7848   21.8880   13.8297  H     
39   H         9.8474   18.3302   13.3547  H     
40   H         7.0622   17.0898   10.4593  H     
41   H         6.6867   19.4033    9.8256  H     
42   H         7.8772   21.1740   10.9264  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   10 1
     3    2    3 1
     4    2    6 1
     5    3    4 1
     6    3    5 1
     7    6    7 2
     8    6    8 1
     9    6    9 1
    10   10   11 1
    11   10   12 2
    12   10   13 2
    13   11   14 2
    14   11   18 1
    15   14   15 1
    16   15   16 2
    17   16   17 1
    18   16   19 1
    19   17   18 2
    20   19   20 2
    21   19   24 1
    22   20   21 1
    23   21   22 2
    24   21   25 1
    25   22   23 1
    26   23   24 2
    27    1   26 1
    28    2   27 1
    29    3   28 1
    30    4   29 1
    31    4   30 1
    32    4   31 1
    33    5   32 1
    34    5   33 1
    35    5   34 1
    36   14   35 1
    37   15   36 1
    38   17   37 1
    39   18   38 1
    40   20   39 1
    41   22   40 1
    42   23   41 1
    43   24   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6329
  Crash		| -0.8486
  Polar		| 5.0078
  FragIndex	| 1
  FragRMSD	| 0.395