@<TRIPOS>MOLECULE
BindingDB_14248
 33 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.6878   15.2617    1.2600  C     
2    C        45.7349   14.8806    2.1078  C     
3    C        46.1469   13.5376    1.9558  C     
4    C        45.4453   12.7916    0.9921  C     
5    S        44.2900   13.8768    0.3244  S     
6    O        46.3754   15.8070    2.8882  O     
7    C        46.3855   15.5820    4.3112  C     
8    C        46.1117   16.8573    4.9922  C     
9    O        44.8247   17.2586    5.1513  O     
10   O        47.0671   17.4459    5.7465  O     
11   C        44.1101   16.5318    1.0770  C     
12   O        44.5235   17.6147    1.7710  O     
13   O        43.1732   16.7347    0.1294  O     
14   Br       47.6438   12.8971    2.8479  Br    
15   C        45.7033   11.4752    0.5165  C     
16   C        45.9172    9.9137   -1.3712  C     
17   C        45.5462   11.1687   -0.8571  C     
18   C        46.1903   10.4595    1.3763  C     
19   C        46.6129    9.2111    0.8662  C     
20   C        46.4831    8.9371   -0.5270  C     
21   C        46.9507    7.7148   -1.0208  C     
22   C        47.1770    8.2214    1.6852  C     
23   C        47.6058    7.0576    1.1561  C     
24   C        47.5131    6.8174   -0.1888  C     
25   H        45.6464   14.8423    4.6444  H     
26   H        47.3823   15.2274    4.5970  H     
27   H        45.7900    9.7319   -2.3729  H     
28   H        45.2003   11.8761   -1.5111  H     
29   H        46.2447   10.6263    2.3856  H     
30   H        46.8866    7.5106   -1.9937  H     
31   H        47.2829    8.3754    2.6620  H     
32   H        48.0001    6.3604    1.7465  H     
33   H        47.8561    5.9616   -0.5603  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   19   22 1
    23   20   21 1
    24   21   24 2
    25   22   23 2
    26   23   24 1
    27    7   25 1
    28    7   26 1
    29   16   27 1
    30   17   28 1
    31   18   29 1
    32   21   30 1
    33   22   31 1
    34   23   32 1
    35   24   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8619
  Crash		| -1.5193
  Polar		| 6.7738
  FragIndex	| 1
  FragRMSD	| 1.166