@<TRIPOS>MOLECULE
BindingDB_11403
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.8258    4.0556   14.6356  C     
2    C        -2.6637    5.2313   13.9876  C     
3    N        -3.6402    6.1361   13.7247  N     
4    C        -3.3176    7.4024   13.1108  C     
5    S        -5.2587    5.8365   14.1347  S     
6    O        -5.8419    6.8552   15.2037  O     
7    O        -6.2122    5.6413   12.8791  O     
8    C        -4.0368    3.6191   15.1516  C     
9    C        -5.2191    4.3435   14.9941  C     
10   C        -4.2220    2.4300   15.8860  C     
11   C        -5.5321    2.2255   16.3322  C     
12   S        -6.4983    3.5418   15.8042  S     
13   N        -7.6842    1.0785   17.8361  N     
14   S        -6.1360    0.8723   17.2256  S     
15   O        -6.0489   -0.4834   16.4036  O     
16   O        -5.2141    0.6750   18.5013  O     
17   C        -2.6768    8.3245   14.0310  C     
18   C        -1.9839    9.3939   13.6130  C     
19   C        -1.4013   10.3707   14.5114  C     
20   C        -0.4778   12.6828   14.6795  C     
21   C        -0.4575   14.0759   14.0014  C     
22   C        -2.7052   13.7615   13.1853  C     
23   C        -2.7840   12.3599   13.8446  C     
24   N        -1.4140   11.7639   13.9567  N     
25   O        -1.7897   14.6165   13.8990  O     
26   H        -2.0257    3.4829   14.7651  H     
27   H        -1.7349    5.4435   13.6946  H     
28   H        -2.6774    7.2124   12.2403  H     
29   H        -4.2155    7.9001   12.7303  H     
30   H        -3.4600    1.7738   16.0816  H     
31   H        -7.8280    1.0449   18.7969  H     
32   H        -8.4294    1.2603   17.2383  H     
33   H        -2.7997    8.1762   15.0088  H     
34   H        -1.8030    9.4949   12.6393  H     
35   H        -1.9076   10.3583   15.4823  H     
36   H        -0.3687   10.0536   14.6770  H     
37   H         0.5382   12.2806   14.6575  H     
38   H        -0.7771   12.8000   15.7249  H     
39   H         0.1468   14.7643   14.5971  H     
40   H        -0.0028   14.0013   13.0085  H     
41   H        -2.3930   13.6657   12.1409  H     
42   H        -3.6925   14.2288   13.2007  H     
43   H        -3.2512   12.4492   14.8315  H     
44   H        -3.4237   11.7291   13.2217  H     
45   H        -1.0563   11.6972   13.0006  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    8 1
     3    2    3 1
     4    3    4 1
     5    3    5 1
     6    4   17 1
     7    5    6 2
     8    5    7 2
     9    5    9 1
    10    8    9 2
    11    8   10 1
    12    9   12 1
    13   10   11 2
    14   11   12 1
    15   11   14 1
    16   13   14 am
    17   14   15 2
    18   14   16 2
    19   17   18 2
    20   18   19 1
    21   19   24 1
    22   20   21 1
    23   20   24 1
    24   21   25 1
    25   22   23 1
    26   22   25 1
    27   23   24 1
    28    1   26 1
    29    2   27 1
    30    4   28 1
    31    4   29 1
    32   10   30 1
    33   13   31 1
    34   13   32 1
    35   17   33 1
    36   18   34 1
    37   19   35 1
    38   19   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
    44   22   42 1
    45   23   43 1
    46   23   44 1
    47   24   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6401
  Crash		| -2.1378
  Polar		| 4.7504
  FragIndex	| 1
  FragRMSD	| 1.037