@<TRIPOS>MOLECULE
BindingDB_11621
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.3526    3.9518   13.3032  C     
2    C        -5.0890    2.4776   14.9276  C     
3    S        -5.5571    4.0695   14.5425  S     
4    N        -3.7367    2.7643   13.3133  N     
5    N        -4.1531    1.9926   14.2102  N     
6    N        -7.2308    2.2016   16.7840  N     
7    S        -5.7692    1.5988   16.2187  S     
8    O        -6.0875    0.1384   15.6789  O     
9    O        -4.7293    1.4044   17.4046  O     
10   N        -3.9833    4.8757   12.3932  N     
11   S        -4.5031    6.4762   12.2954  S     
12   O        -4.5716    6.7876   10.7378  O     
13   O        -6.0041    6.6604   12.7859  O     
14   C        -3.4187    7.5721   13.1081  C     
15   C        -1.8051    9.4096   13.0561  C     
16   C        -1.6132    9.2947   14.4476  C     
17   C        -2.3266    8.3140   15.1695  C     
18   C        -3.2202    7.4551   14.5002  C     
19   C        -2.7026    8.5545   12.3904  C     
20   N        -0.7528   10.1213   15.0705  N     
21   F        -2.1702    8.1880   16.4599  F     
22   H        -7.9959    1.6087   16.8765  H     
23   H        -7.3317    3.1549   16.9506  H     
24   H        -3.2969    4.6100   11.7617  H     
25   H        -1.2935   10.1157   12.5207  H     
26   H        -3.7265    6.7447   15.0353  H     
27   H        -2.8223    8.6549   11.3802  H     
28   H        -0.6165   10.0515   16.0287  H     
29   H        -0.2685   10.7920   14.5633  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    4 2
     3    1   10 1
     4    2    3 1
     5    2    5 2
     6    2    7 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   11   12 2
    13   11   13 2
    14   11   14 1
    15   14   18 1
    16   14   19 2
    17   15   16 2
    18   15   19 1
    19   16   17 1
    20   16   20 1
    21   17   18 2
    22   17   21 1
    23    6   22 1
    24    6   23 1
    25   10   24 1
    26   15   25 1
    27   18   26 1
    28   19   27 1
    29   20   28 1
    30   20   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8659
  Crash		| -0.5432
  Polar		| 3.4013
  FragIndex	| 1
  FragRMSD	| 1.145