@<TRIPOS>MOLECULE
BindingDB_14265
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.6639   14.9748    1.1208  C     
2    C        45.4710   14.5451    2.1882  C     
3    C        45.8442   13.1891    2.1203  C     
4    C        45.3858   12.5037    0.9858  C     
5    S        44.4598   13.6294    0.0702  S     
6    O        45.8159   15.3373    3.2544  O     
7    C        47.0327   16.0883    3.0781  C     
8    C        47.4429   16.7010    4.3566  C     
9    O        48.5430   17.4828    4.4124  O     
10   O        46.9485   16.2473    5.5340  O     
11   C        44.1036   16.2410    0.8942  C     
12   O        43.3707   16.4843   -0.2117  O     
13   O        44.2622   17.2576    1.7681  O     
14   Br       46.8025   12.3494    3.4722  Br    
15   C        45.7060   11.2039    0.5703  C     
16   C        47.3808    9.6192   -0.2520  C     
17   C        47.0401   10.8957    0.2121  C     
18   C        44.7113   10.1991    0.4320  C     
19   C        45.0552    8.9275   -0.0407  C     
20   C        46.3968    8.5948   -0.3475  C     
21   N        46.6631    7.3358   -0.7904  N     
22   C        47.5834    6.4952   -0.3375  C     
23   O        48.3135    6.7717    0.6088  O     
24   N        47.6244    5.3091   -0.9212  N     
25   C        48.4498    4.1940   -0.5444  C     
26   C        47.7996    2.9027   -1.0994  C     
27   C        49.9035    4.3351   -1.0654  C     
28   H        47.8516   15.4450    2.7386  H     
29   H        46.8800   16.8849    2.3425  H     
30   H        48.3480    9.4381   -0.5432  H     
31   H        47.7719   11.6173    0.2716  H     
32   H        43.7329   10.4019    0.6709  H     
33   H        44.3262    8.2110   -0.1299  H     
34   H        46.0534    6.9745   -1.4545  H     
35   H        46.9797    5.1586   -1.6383  H     
36   H        48.4754    4.1081    0.5553  H     
37   H        46.7913    2.7902   -0.6976  H     
38   H        48.3811    2.0273   -0.8191  H     
39   H        47.7344    2.9448   -2.1905  H     
40   H        49.9184    4.5269   -2.1421  H     
41   H        50.4741    3.4278   -0.8629  H     
42   H        50.4133    5.1581   -0.5618  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1   11 1
     4    2    3 1
     5    2    6 1
     6    3    4 2
     7    3   14 1
     8    4    5 1
     9    4   15 1
    10    6    7 1
    11    7    8 1
    12    8    9 2
    13    8   10 1
    14   11   12 2
    15   11   13 1
    16   15   17 2
    17   15   18 1
    18   16   17 1
    19   16   20 2
    20   18   19 2
    21   19   20 1
    22   20   21 1
    23   21   22 am
    24   22   23 2
    25   22   24 am
    26   24   25 1
    27   25   26 1
    28   25   27 1
    29    7   28 1
    30    7   29 1
    31   16   30 1
    32   17   31 1
    33   18   32 1
    34   19   33 1
    35   21   34 1
    36   24   35 1
    37   25   36 1
    38   26   37 1
    39   26   38 1
    40   26   39 1
    41   27   40 1
    42   27   41 1
    43   27   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.1667
  Crash		| -0.9326
  Polar		| 7.8918
  FragIndex	| 1
  FragRMSD	| 0.194