@<TRIPOS>MOLECULE
BindingDB_14264
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.8484   15.2174    1.1677  C     
2    C        45.8139   14.8153    2.1044  C     
3    C        46.2328   13.4735    1.9657  C     
4    C        45.6315   12.7718    0.9130  C     
5    S        44.5287   13.8551    0.1656  S     
6    O        46.3292   15.7021    3.0148  O     
7    C        45.8941   15.5017    4.3752  C     
8    C        45.8110   16.8285    4.9995  C     
9    O        46.8704   17.3264    5.6779  O     
10   O        44.5973   17.3161    5.3240  O     
11   C        44.2339   16.4737    1.0129  C     
12   O        44.5068   17.5194    1.8282  O     
13   O        43.3101   16.6704    0.0501  O     
14   Br       47.4383   12.6665    3.1305  Br    
15   C        45.9242   11.4721    0.4458  C     
16   C        47.5649    9.7952   -0.2664  C     
17   C        47.2617   11.0806    0.2058  C     
18   C        44.8911   10.5436    0.1736  C     
19   C        45.1985    9.2603   -0.3102  C     
20   C        46.5360    8.8598   -0.5107  C     
21   N        46.7657    7.6108   -1.0030  N     
22   C        47.7694    6.7729   -0.6775  C     
23   O        47.7916    5.5589   -1.2756  O     
24   O        48.7000    7.0995    0.2600  O     
25   C        49.7621    6.2594    0.7128  C     
26   H        44.9073   15.0155    4.4430  H     
27   H        46.6259   14.8878    4.9105  H     
28   H        48.5378    9.5584   -0.4658  H     
29   H        48.0269   11.7460    0.3416  H     
30   H        43.9144   10.7933    0.3206  H     
31   H        44.4338    8.6021   -0.5014  H     
32   H        46.0868    7.2473   -1.5909  H     
33   H        49.3553    5.3517    1.1684  H     
34   H        50.3477    6.7978    1.4591  H     
35   H        50.4134    5.9890   -0.1223  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 1
    26   24   25 1
    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   25   33 1
    35   25   34 1
    36   25   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.1274
  Crash		| -1.1440
  Polar		| 8.5713
  FragIndex	| 1
  FragRMSD	| 1.260