@<TRIPOS>MOLECULE
BindingDB_8364
 36 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.2190   -7.2479    7.2562  C     
2    C        14.6728   -6.6820    6.0562  C     
3    C        14.9694   -5.3023    5.9873  C     
4    C        14.7779   -4.5005    7.1317  C     
5    C        14.2653   -5.0588    8.3194  C     
6    C        13.9838   -6.4397    8.3874  C     
7    C        13.1797   -6.9995    9.3920  C     
8    C        10.9856   -7.9497    9.8289  C     
9    C        11.7876   -7.0305    9.1418  C     
10   N        13.7167   -7.8043   10.3597  N     
11   C        11.5982   -8.8456   10.7176  C     
12   C        12.9345   -8.6774   11.0523  C     
13   C        11.1422   -9.9441   11.4383  C     
14   N        12.1376  -10.2899   12.2786  N     
15   N        13.1864   -9.5438   12.0452  N     
16   N        10.0593  -10.7368   11.2401  N     
17   C         9.3376  -10.8457   10.1300  C     
18   O         9.6234  -10.3032    9.0701  O     
19   C         8.2082  -11.7354   10.0926  C     
20   C         7.9343  -12.5545    8.8165  C     
21   C         8.4880  -13.2476   10.0665  C     
22   O        15.3875   -4.7075    4.8375  O     
23   Br       14.7064   -7.7977    4.5701  Br    
24   H        13.9662   -8.2419    7.2676  H     
25   H        14.9630   -3.4956    7.0855  H     
26   H        14.0502   -4.4489    9.1093  H     
27   H         9.9794   -7.9772    9.6565  H     
28   H        11.3665   -6.4617    8.4027  H     
29   H        14.0510   -9.6585   12.4715  H     
30   H         9.8563  -11.3731   11.9451  H     
31   H         7.3224  -11.4397   10.6611  H     
32   H         6.8892  -12.7703    8.5909  H     
33   H         8.6480  -12.4731    7.9912  H     
34   H         9.5247  -13.5760    9.9681  H     
35   H         7.7687  -13.8928   10.5699  H     
36   H        15.5960   -5.4175    4.1959  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   23 1
     5    3    4 1
     6    3   22 1
     7    4    5 2
     8    5    6 1
     9    6    7 1
    10    7    9 2
    11    7   10 1
    12    8    9 1
    13    8   11 2
    14   10   12 2
    15   11   12 1
    16   11   13 1
    17   12   15 1
    18   13   14 2
    19   13   16 1
    20   14   15 1
    21   16   17 am
    22   17   18 2
    23   17   19 1
    24   19   20 1
    25   19   21 1
    26   20   21 1
    27    1   24 1
    28    4   25 1
    29    5   26 1
    30    8   27 1
    31    9   28 1
    32   15   29 1
    33   16   30 1
    34   19   31 1
    35   20   32 1
    36   20   33 1
    37   21   34 1
    38   21   35 1
    39   22   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8132
  Crash		| -3.6416
  Polar		| 2.9919
  FragIndex	| 1
  FragRMSD	| 1.274