@<TRIPOS>MOLECULE
BindingDB_14255
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.6377   14.9239    1.0411  C     
2    C        45.5673   14.5650    2.0277  C     
3    C        45.9541   13.2080    1.9929  C     
4    C        45.3950   12.4587    0.9491  C     
5    S        44.3336   13.5195    0.0949  S     
6    O        46.0993   15.4961    2.8787  O     
7    C        45.8623   15.3166    4.2836  C     
8    C        45.6838   16.6650    4.8582  C     
9    O        44.4229   17.1220    5.0009  O     
10   O        46.6042   17.1656    5.7269  O     
11   C        44.0872   16.1942    0.7965  C     
12   O        43.1563   16.3804   -0.1602  O     
13   O        44.3805   17.2686    1.5567  O     
14   Br       47.0969   12.4681    3.2611  Br    
15   C        45.7127   11.1467    0.5800  C     
16   C        45.1198    8.8169    0.0810  C     
17   C        44.7464   10.1133    0.4787  C     
18   C        47.0548   10.8394    0.2669  C     
19   C        47.4420    9.5427   -0.0791  C     
20   C        46.4810    8.5065   -0.1834  C     
21   N        46.8605    7.2649   -0.5748  N     
22   C        46.7630    6.9203   -1.9655  C     
23   C        47.4439    6.3607    0.3846  C     
24   H        44.9562   14.7130    4.5063  H     
25   H        46.7268   14.8361    4.7550  H     
26   H        44.4026    8.0888    0.0160  H     
27   H        43.7661   10.3079    0.6977  H     
28   H        47.7723   11.5636    0.2905  H     
29   H        48.4183    9.3639   -0.3202  H     
30   H        45.7184    6.9316   -2.3006  H     
31   H        47.1778    5.9337   -2.1907  H     
32   H        47.3217    7.6470   -2.5649  H     
33   H        48.3606    6.7775    0.8166  H     
34   H        47.6985    5.3882   -0.0455  H     
35   H        46.7326    6.1809    1.1910  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 1
    24   21   23 1
    25    7   24 1
    26    7   25 1
    27   16   26 1
    28   17   27 1
    29   18   28 1
    30   19   29 1
    31   22   30 1
    32   22   31 1
    33   22   32 1
    34   23   33 1
    35   23   34 1
    36   23   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.2066
  Crash		| -1.2577
  Polar		| 7.7834
  FragIndex	| 1
  FragRMSD	| 1.150