@<TRIPOS>MOLECULE
BindingDB_11457
 38 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        11.2401   -9.0305   10.0364  C     
2    C        10.7173   -9.8500   11.0691  C     
3    C        12.5699   -8.5495   10.1526  C     
4    N        13.3192   -8.8545   11.2440  N     
5    N         9.4773  -10.4102   11.0988  N     
6    C         8.4099  -10.3343   10.1542  C     
7    C         8.2255  -11.5887    9.3711  C     
8    C         7.3010  -12.7017    7.4034  C     
9    C         7.4625  -11.5410    8.1816  C     
10   C         8.7937  -12.8336    9.7518  C     
11   C         8.6097  -13.9646    8.9335  C     
12   N         7.8758  -13.8653    7.7989  N     
13   C        13.1441   -7.7472    9.1522  C     
14   C        14.1391   -7.5049    6.9314  C     
15   C        13.6270   -8.3238    7.9543  C     
16   C        13.2108   -6.3479    9.3268  C     
17   C        13.7251   -5.5306    8.3030  C     
18   C        14.1835   -6.1073    7.1028  C     
19   Br       14.7631   -8.2617    5.3521  Br    
20   C        12.8023   -9.6448   12.2114  C     
21   C        12.4409  -10.8628   13.9163  C     
22   N        11.5491  -10.1325   12.1127  N     
23   N        11.3411  -10.8784   13.1472  N     
24   N        13.3707  -10.0887   13.3388  N     
25   H        10.6831   -8.7997    9.2116  H     
26   H         9.3154  -11.0139   11.8415  H     
27   H         7.4895  -10.1443   10.7122  H     
28   H         8.5519   -9.4922    9.4752  H     
29   H         6.7493  -12.6756    6.5430  H     
30   H         7.0367  -10.6646    7.8636  H     
31   H         9.3384  -12.9331   10.6102  H     
32   H         9.0147  -14.8676    9.1964  H     
33   H        13.6069   -9.3375    7.8213  H     
34   H        12.8711   -5.9105   10.1892  H     
35   H        13.7538   -4.5154    8.4254  H     
36   H        14.5520   -5.5102    6.3592  H     
37   H        12.5576  -11.3664   14.7948  H     
38   H        10.5223  -11.3757   13.3172  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    2    5 1
     4    2   22 1
     5    3    4 2
     6    3   13 1
     7    4   20 1
     8    5    6 1
     9    6    7 1
    10    7    9 1
    11    7   10 2
    12    8    9 2
    13    8   12 1
    14   10   11 1
    15   11   12 2
    16   13   15 2
    17   13   16 1
    18   14   15 1
    19   14   18 2
    20   14   19 1
    21   16   17 2
    22   17   18 1
    23   20   22 2
    24   20   24 1
    25   21   23 1
    26   21   24 2
    27   22   23 1
    28    1   25 1
    29    5   26 1
    30    6   27 1
    31    6   28 1
    32    8   29 1
    33    9   30 1
    34   10   31 1
    35   11   32 1
    36   15   33 1
    37   16   34 1
    38   17   35 1
    39   18   36 1
    40   21   37 1
    41   23   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3121
  Crash		| -1.2126
  Polar		| 1.9717
  FragIndex	| 1
  FragRMSD	| 0.564