@<TRIPOS>MOLECULE
BindingDB_7149
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5834   45.9615   22.3706  C     
2    C        12.7990   45.8544   23.5119  C     
3    C        11.6409   46.5868   23.2548  C     
4    N        12.8714   46.6766   21.4890  N     
5    N        11.7403   47.0556   21.9981  N     
6    N        10.5586   46.8747   24.0175  N     
7    C        10.2667   46.4580   25.2480  C     
8    O        10.9706   45.6311   25.8135  O     
9    C         9.1249   46.9304   25.9090  C     
10   C         8.6643   48.2657   25.7411  C     
11   C         8.3927   46.0871   26.7844  C     
12   C         7.2384   46.5424   27.4463  C     
13   C         6.7955   47.8621   27.2594  C     
14   C         7.5109   48.7245   26.4101  C     
15   Br        5.2544   48.4536   28.1128  Br    
16   C        14.9069   45.3648   22.0745  C     
17   C        15.9457   45.5849   23.2112  C     
18   C        14.7501   43.8591   21.7015  C     
19   C        15.8610   43.3631   20.7441  C     
20   H        13.0550   45.3654   24.3722  H     
21   H        13.1582   46.8747   20.5868  H     
22   H         9.9014   47.4492   23.5932  H     
23   H         9.1739   48.9281   25.1479  H     
24   H         8.6809   45.1134   26.9285  H     
25   H         6.7139   45.9046   28.0513  H     
26   H         7.1896   49.6859   26.2690  H     
27   H        15.2839   45.8962   21.1970  H     
28   H        16.0276   46.6424   23.4536  H     
29   H        16.9335   45.2359   22.9006  H     
30   H        15.6558   45.0400   24.1125  H     
31   H        14.7509   43.2426   22.6054  H     
32   H        13.7980   43.6769   21.1881  H     
33   H        15.7791   43.9019   19.7993  H     
34   H        15.7557   42.2971   20.5406  H     
35   H        16.8456   43.5387   21.1760  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   16 1
     4    2    3 1
     5    3    5 2
     6    3    6 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   11   12 2
    15   12   13 1
    16   13   14 2
    17   13   15 1
    18   16   17 1
    19   16   18 1
    20   18   19 1
    21    2   20 1
    22    4   21 1
    23    6   22 1
    24   10   23 1
    25   11   24 1
    26   12   25 1
    27   14   26 1
    28   16   27 1
    29   17   28 1
    30   17   29 1
    31   17   30 1
    32   18   31 1
    33   18   32 1
    34   19   33 1
    35   19   34 1
    36   19   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0633
  Crash		| -1.7367
  Polar		| 3.3327
  FragIndex	| 1
  FragRMSD	| 0.186