@<TRIPOS>MOLECULE
BindingDB_10016
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.2651   34.5394   20.7525  C     
2    C        19.7030   35.2436   19.3437  C     
3    N        19.4749   34.2631   20.2330  N     
4    N        17.7962   35.6691   20.2067  N     
5    N        18.6746   36.1020   19.3583  N     
6    N        20.2628   33.2223   20.5061  N     
7    C        21.6026   33.3908   20.8346  C     
8    C        22.5093   32.3068   21.0193  C     
9    C        22.1596   34.6823   21.0479  C     
10   C        23.5268   34.8872   21.3169  C     
11   C        24.4044   33.7924   21.4098  C     
12   C        23.8835   32.4943   21.2672  C     
13   C        19.6025   31.9193   20.4578  C     
14   C        20.0849   30.9689   19.4202  C     
15   C        20.3220   30.3767   17.0580  C     
16   C        21.0491   29.2245   17.4078  C     
17   C        21.2842   28.9301   18.7616  C     
18   C        20.7917   29.7901   19.7611  C     
19   C        19.8347   31.2351   18.0563  C     
20   Br       21.7254   28.1099   16.0791  Br    
21   C        25.6702   33.9695   21.6583  C     
22   N        26.7899   34.1241   21.8758  N     
23   H        17.7643   33.9867   21.4484  H     
24   H        20.5317   35.3425   18.7571  H     
25   H        22.1893   31.3410   20.9778  H     
26   H        21.5615   35.5079   21.0306  H     
27   H        23.8671   35.8405   21.4516  H     
28   H        24.4876   31.6724   21.3561  H     
29   H        19.6760   31.4680   21.4502  H     
30   H        18.5334   32.0224   20.2533  H     
31   H        20.1526   30.5963   16.0724  H     
32   H        21.8081   28.0897   19.0222  H     
33   H        20.9586   29.5544   20.7432  H     
34   H        19.3066   32.0671   17.7776  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    4 2
     3    2    3 1
     4    2    5 2
     5    3    6 1
     6    4    5 1
     7    6    7 1
     8    6   13 1
     9    7    8 1
    10    7    9 2
    11    8   12 2
    12    9   10 1
    13   10   11 2
    14   11   12 1
    15   11   21 1
    16   13   14 1
    17   14   18 1
    18   14   19 2
    19   15   16 2
    20   15   19 1
    21   16   17 1
    22   16   20 1
    23   17   18 2
    24   21   22 3
    25    1   23 1
    26    2   24 1
    27    8   25 1
    28    9   26 1
    29   10   27 1
    30   12   28 1
    31   13   29 1
    32   13   30 1
    33   15   31 1
    34   17   32 1
    35   18   33 1
    36   19   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.4211
  Crash		| -0.9533
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.206