@<TRIPOS>MOLECULE
BindingDB_50334343
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.0378    4.2036   15.9346  C     
2    C        17.6024    5.2588   15.1954  C     
3    C        16.7954    6.3080   14.6891  C     
4    C        15.4073    6.2624   14.9472  C     
5    C        14.8376    5.2199   15.6969  C     
6    C        15.6510    4.1804   16.1893  C     
7    S        14.9623    2.8726   17.1146  S     
8    N        13.2863    2.7957   17.1019  N     
9    O        15.3687    1.5329   16.3694  O     
10   O        15.4991    2.8262   18.6081  O     
11   N        17.2131    7.3761   13.9445  N     
12   C        18.4235    7.7592   13.5621  C     
13   N        18.4788    8.8651   12.8354  N     
14   O        19.4497    7.1745   13.8715  O     
15   C        19.6389    9.4802   12.2639  C     
16   C        20.0341   10.6629   13.0677  C     
17   C        20.6050   10.4744   14.3506  C     
18   C        21.0225   11.5764   15.1165  C     
19   C        20.8635   12.8796   14.6135  C     
20   C        20.2883   13.0775   13.3460  C     
21   C        19.8738   11.9761   12.5763  C     
22   H        17.6410    3.4547   16.2830  H     
23   H        18.6071    5.2346   15.0340  H     
24   H        14.7885    6.9940   14.5907  H     
25   H        13.8329    5.2206   15.8769  H     
26   H        12.8550    1.9274   17.1459  H     
27   H        12.7539    3.6077   17.0555  H     
28   H        16.4962    7.9582   13.6430  H     
29   H        17.6393    9.3324   12.6912  H     
30   H        20.4854    8.7912   12.1807  H     
31   H        19.3640    9.7696   11.2447  H     
32   H        20.7445    9.5309   14.7285  H     
33   H        21.4524   11.4320   16.0364  H     
34   H        21.1764   13.6822   15.1656  H     
35   H        20.1796   14.0225   12.9778  H     
36   H        19.4646   12.1328   11.6553  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   11 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7    8 am
    10    7    9 2
    11    7   10 2
    12   11   12 am
    13   12   13 am
    14   12   14 2
    15   13   15 1
    16   15   16 1
    17   16   17 2
    18   16   21 1
    19   17   18 1
    20   18   19 2
    21   19   20 1
    22   20   21 2
    23    1   22 1
    24    2   23 1
    25    4   24 1
    26    5   25 1
    27    8   26 1
    28    8   27 1
    29   11   28 1
    30   13   29 1
    31   15   30 1
    32   15   31 1
    33   17   32 1
    34   18   33 1
    35   19   34 1
    36   20   35 1
    37   21   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6419
  Crash		| -0.8533
  Polar		| 1.8426
  FragIndex	| 1
  FragRMSD	| 1.046