@<TRIPOS>MOLECULE
BindingDB_11053
 32 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.4649    7.5749   13.4878  C     
2    C        -3.1066    8.0201   12.2950  C     
3    C        -1.2076    8.1272   13.8422  C     
4    C        -0.5915    9.0924   13.0258  C     
5    C        -1.2228    9.5207   11.8469  C     
6    C        -2.4736    8.9888   11.4858  C     
7    S        -4.6953    7.4822   11.8009  S     
8    C        -3.0480    6.6482   14.3385  C     
9    O        -3.2010    6.9495   15.5157  O     
10   N        -3.3895    5.4588   13.8751  N     
11   C        -4.0604    4.5096   14.5737  C     
12   C        -5.4556    4.5951   14.7456  C     
13   C        -6.1519    3.5673   15.4136  C     
14   C        -5.4544    2.4528   15.9181  C     
15   C        -4.0527    2.3756   15.7634  C     
16   C        -3.3628    3.3992   15.0858  C     
17   N        -7.9555    1.2446   16.7115  N     
18   S        -6.2871    1.1744   16.7532  S     
19   O        -5.9450   -0.1724   15.9750  O     
20   O        -5.7367    0.9399   18.2225  O     
21   H        -0.7220    7.8233   14.6910  H     
22   H         0.3084    9.4923   13.2960  H     
23   H        -0.7819   10.2263   11.2576  H     
24   H        -2.9234    9.3314   10.6353  H     
25   H        -5.2042    8.7397   11.7244  H     
26   H        -3.1342    5.2435   12.9571  H     
27   H        -5.9832    5.3951   14.3836  H     
28   H        -7.1671    3.6436   15.5382  H     
29   H        -3.5247    1.5932   16.1542  H     
30   H        -2.3456    3.3419   14.9857  H     
31   H        -8.4437    0.6652   16.1023  H     
32   H        -8.4134    2.0114   17.0959  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    8 1
     4    2    6 2
     5    2    7 1
     6    3    4 1
     7    4    5 2
     8    5    6 1
     9    8    9 2
    10    8   10 am
    11   10   11 1
    12   11   12 1
    13   11   16 2
    14   12   13 2
    15   13   14 1
    16   14   15 2
    17   14   18 1
    18   15   16 1
    19   17   18 am
    20   18   19 2
    21   18   20 2
    22    3   21 1
    23    4   22 1
    24    5   23 1
    25    6   24 1
    26    7   25 1
    27   10   26 1
    28   12   27 1
    29   13   28 1
    30   15   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7329
  Crash		| -1.6069
  Polar		| 2.2038
  FragIndex	| 1
  FragRMSD	| 1.121