@<TRIPOS>MOLECULE
BindingDB_11935
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.9668    4.0101   14.4009  C     
2    C        -3.0901    5.3091   13.5526  C     
3    N        -3.6871    6.4060   14.2739  N     
4    S        -5.2171    6.1728   14.9484  S     
5    O        -5.3670    6.9362   16.3356  O     
6    O        -6.4168    6.4959   13.9554  O     
7    C        -4.2040    3.6145   15.1219  C     
8    C        -5.2597    4.4957   15.3758  C     
9    C        -4.4058    2.3360   15.6755  C     
10   C        -5.6231    2.1738   16.3457  C     
11   S        -6.4672    3.6728   16.2741  S     
12   O        -5.9465   -0.4680   16.1899  O     
13   O        -5.2830    0.5370   18.4865  O     
14   S        -6.1618    0.7593   17.1804  S     
15   N        -7.7982    0.8030   17.5402  N     
16   C        -3.0162    7.5680   14.5009  C     
17   C        -3.2848    8.7104   13.7180  C     
18   C        -2.5813    9.9186   13.9284  C     
19   C        -1.5966    9.9803   14.9360  C     
20   C        -1.3098    8.8353   15.7136  C     
21   C        -2.0248    7.6421   15.4973  C     
22   O        -2.8398   10.9836   13.1116  O     
23   C        -3.1591   12.2058   13.7947  C     
24   H        -2.6739    3.1947   13.7298  H     
25   H        -2.1661    4.1328   15.1391  H     
26   H        -2.0927    5.5708   13.1821  H     
27   H        -3.7093    5.0997   12.6783  H     
28   H        -3.7171    1.5839   15.6042  H     
29   H        -8.2852   -0.0332   17.6055  H     
30   H        -8.2864    1.6302   17.4174  H     
31   H        -3.9805    8.6674   12.9725  H     
32   H        -1.0801   10.8459   15.0992  H     
33   H        -0.5829    8.8669   16.4331  H     
34   H        -1.8119    6.8192   16.0677  H     
35   H        -3.9611   12.0754   14.5225  H     
36   H        -3.4976   12.9353   13.0486  H     
37   H        -2.2740   12.6019   14.2905  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2    3 1
     4    3    4 1
     5    3   16 1
     6    4    5 2
     7    4    6 2
     8    4    8 1
     9    7    8 2
    10    7    9 1
    11    8   11 1
    12    9   10 2
    13   10   11 1
    14   10   14 1
    15   12   14 2
    16   13   14 2
    17   14   15 am
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   18   19 2
    22   18   22 1
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26    1   24 1
    27    1   25 1
    28    2   26 1
    29    2   27 1
    30    9   28 1
    31   15   29 1
    32   15   30 1
    33   17   31 1
    34   19   32 1
    35   20   33 1
    36   21   34 1
    37   23   35 1
    38   23   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3843
  Crash		| -2.1284
  Polar		| 1.6029
  FragIndex	| 1
  FragRMSD	| 0.963