@<TRIPOS>MOLECULE
BindingDB_14261
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.8628   14.9438    0.7944  C     
2    C        45.7440   14.5378    1.8082  C     
3    C        46.1792   13.2008    1.6860  C     
4    C        45.6907   12.5147    0.5624  C     
5    S        44.6701   13.6127   -0.2768  S     
6    O        46.1861   15.4007    2.7804  O     
7    C        45.6651   15.1759    4.1024  C     
8    C        45.4864   16.4723    4.7778  C     
9    O        46.5099   17.0689    5.4325  O     
10   O        44.2415   16.9666    4.9555  O     
11   C        44.2253   16.1865    0.6415  C     
12   O        43.2980   16.3782   -0.3220  O     
13   O        44.4191   17.2016    1.5127  O     
14   Br       47.3779   12.4321    2.8845  Br    
15   C        45.9710   11.1989    0.1493  C     
16   C        47.2859    9.6345   -1.1912  C     
17   C        47.0051   10.9488   -0.7765  C     
18   C        45.2311   10.1112    0.6602  C     
19   C        45.4943    8.7982    0.2265  C     
20   C        46.5255    8.5527   -0.7002  C     
21   N        46.7722    7.2956   -1.1375  N     
22   C        48.1295    4.8020   -1.3474  C     
23   S        47.9633    6.3406   -0.4276  S     
24   O        49.3715    7.0689   -0.5422  O     
25   O        47.6247    5.9831    1.0849  O     
26   H        44.6999   14.6510    4.0878  H     
27   H        46.3686   14.5719    4.6796  H     
28   H        48.0413    9.4675   -1.8671  H     
29   H        47.5722   11.7147   -1.1498  H     
30   H        44.4928   10.2768    1.3457  H     
31   H        44.9500    8.0189    0.6038  H     
32   H        46.1329    6.8558   -1.7365  H     
33   H        47.1955    4.2389   -1.3224  H     
34   H        48.9221    4.1964   -0.9051  H     
35   H        48.3841    5.0289   -2.3841  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   23 1
    24   22   23 1
    25   23   24 2
    26   23   25 2
    27    7   26 1
    28    7   27 1
    29   16   28 1
    30   17   29 1
    31   18   30 1
    32   19   31 1
    33   21   32 1
    34   22   33 1
    35   22   34 1
    36   22   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9681
  Crash		| -1.4631
  Polar		| 7.9473
  FragIndex	| 1
  FragRMSD	| 1.210