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


@<TRIPOS>ATOM
1    C        22.8843   34.2639   16.9220  C     
2    C        24.1606   32.5777   17.2250  C     
3    N        23.1117   33.2345   17.7540  N     
4    N        23.7835   34.2316   15.9262  N     
5    N        24.5679   33.2170   16.1175  N     
6    N        22.4224   32.9251   18.8496  N     
7    C        23.0448   32.9602   20.0885  C     
8    C        22.3571   32.6802   21.3011  C     
9    C        24.4196   33.3025   20.2516  C     
10   C        25.0708   33.2904   21.4995  C     
11   C        24.3648   32.9468   22.6659  C     
12   C        22.9968   32.6463   22.5567  C     
13   C        21.0012   32.6349   18.6388  C     
14   C        20.5680   31.2528   19.0050  C     
15   C        20.5512   28.8367   18.5630  C     
16   C        19.7787   28.6180   19.7190  C     
17   C        19.3845   29.7151   20.5067  C     
18   C        19.7241   31.0214   20.1206  C     
19   C        20.9559   30.1401   18.2201  C     
20   Br       19.2572   26.8971   20.1962  Br    
21   C        24.9481   32.9473   23.8348  C     
22   N        25.4586   32.9601   24.8614  N     
23   H        22.1528   34.9666   17.0184  H     
24   H        24.6065   31.7400   17.6113  H     
25   H        21.3517   32.5043   21.2957  H     
26   H        24.9800   33.5827   19.4485  H     
27   H        26.0639   33.5425   21.5527  H     
28   H        22.4467   32.4103   23.3900  H     
29   H        20.4229   33.3878   19.1842  H     
30   H        20.7219   32.7676   17.5885  H     
31   H        20.8298   28.0452   17.9823  H     
32   H        18.8187   29.5599   21.3464  H     
33   H        19.3872   31.8054   20.6822  H     
34   H        21.5313   30.2727   17.3878  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	| 2.4670
  Crash		| -0.5460
  Polar		| 0.4485
  FragIndex	| 1
  FragRMSD	| 0.176