@<TRIPOS>MOLECULE
BindingDB_14256
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.9082   15.3467    1.2959  C     
2    C        45.7383   14.9311    2.3494  C     
3    C        46.1446   13.5858    2.2712  C     
4    C        45.7061   12.8895    1.1270  C     
5    S        44.7557   14.0018    0.2259  S     
6    O        46.1233   15.7103    3.4224  O     
7    C        47.2266   16.6072    3.1653  C     
8    C        47.8352   17.0395    4.4313  C     
9    O        47.0819   17.5732    5.4238  O     
10   O        49.1731   16.9333    4.6206  O     
11   C        44.2939   16.5891    1.0704  C     
12   O        44.2028   17.5309    2.0390  O     
13   O        43.6241   16.8145   -0.0777  O     
14   Br       47.1480   12.7911    3.6281  Br    
15   C        46.0290   11.5806    0.6854  C     
16   C        45.3473    9.3821   -0.1656  C     
17   C        45.0168   10.6423    0.3618  C     
18   C        47.3771   11.2134    0.4615  C     
19   C        47.7009    9.9551   -0.0746  C     
20   C        46.6895    9.0085   -0.3969  C     
21   N        46.9142    7.8042   -1.0046  N     
22   C        48.0204    7.0850   -1.1219  C     
23   C        47.9698    5.8595   -1.9054  C     
24   O        49.0815    7.3726   -0.5818  O     
25   H        48.0156   16.1512    2.5404  H     
26   H        46.8558   17.5001    2.6482  H     
27   H        44.5846    8.7354   -0.4031  H     
28   H        44.0382   10.8877    0.4961  H     
29   H        48.1273   11.8783    0.6487  H     
30   H        48.6856    9.7646   -0.2617  H     
31   H        46.1302    7.3800   -1.4149  H     
32   H        47.2540    5.1654   -1.4658  H     
33   H        48.9479    5.3647   -1.9491  H     
34   H        47.6583    6.0963   -2.9235  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 1
    25   22   24 2
    26    7   25 1
    27    7   26 1
    28   16   27 1
    29   17   28 1
    30   18   29 1
    31   19   30 1
    32   21   31 1
    33   23   32 1
    34   23   33 1
    35   23   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.0741
  Crash		| -1.0278
  Polar		| 7.2822
  FragIndex	| 1
  FragRMSD	| 0.160