@<TRIPOS>MOLECULE
BindingDB_31826
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.6841  -37.5342   28.8751  C     
2    C         7.3726  -38.4070   27.9965  C     
3    C         6.7160  -39.0397   26.9107  C     
4    C         5.3409  -38.7854   26.7189  C     
5    C         4.6422  -37.9076   27.5617  C     
6    C         5.3061  -37.2792   28.6309  C     
7    C         5.2328  -35.7212   30.4124  C     
8    C         7.2878  -36.8640   29.9945  C     
9    N         4.6270  -36.3838   29.4036  N     
10   N         6.5364  -35.9719   30.6917  N     
11   N         8.5732  -37.1239   30.3542  N     
12   C         9.3258  -36.6934   31.4167  C     
13   C        11.5851  -36.5770   32.3815  C     
14   C        10.7135  -36.9691   31.3483  C     
15   C         8.8292  -36.0478   32.5797  C     
16   C         9.7044  -35.6380   33.6017  C     
17   C        11.0833  -35.9045   33.5108  C     
18   Br        9.0319  -34.7533   35.0972  Br    
19   N         7.3173  -39.8430   25.9739  N     
20   C         8.5679  -39.8688   25.5212  C     
21   C         8.9233  -40.8455   24.5038  C     
22   C         9.6875  -40.2234   23.3155  C     
23   O         9.4509  -39.1468   25.9651  O     
24   H         8.3690  -38.5519   28.1207  H     
25   H         4.8382  -39.2242   25.9433  H     
26   H         3.6568  -37.7156   27.3784  H     
27   H         4.7145  -35.0478   30.9715  H     
28   H         9.0436  -37.7250   29.7599  H     
29   H        12.5839  -36.7845   32.3146  H     
30   H        11.1071  -37.4517   30.5323  H     
31   H         7.8302  -35.8847   32.7129  H     
32   H        11.7154  -35.6232   34.2661  H     
33   H         6.7477  -40.5427   25.6101  H     
34   H         9.5446  -41.6402   24.9297  H     
35   H         8.0110  -41.3244   24.1345  H     
36   H         9.1055  -39.4221   22.8523  H     
37   H         9.8833  -40.9857   22.5590  H     
38   H        10.6409  -39.8192   23.6584  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    8 1
     4    2    3 1
     5    3    4 2
     6    3   19 1
     7    4    5 1
     8    5    6 2
     9    6    9 1
    10    7    9 2
    11    7   10 1
    12    8   10 2
    13    8   11 1
    14   11   12 1
    15   12   14 2
    16   12   15 1
    17   13   14 1
    18   13   17 2
    19   15   16 2
    20   16   17 1
    21   16   18 1
    22   19   20 am
    23   20   21 1
    24   20   23 2
    25   21   22 1
    26    2   24 1
    27    4   25 1
    28    5   26 1
    29    7   27 1
    30   11   28 1
    31   13   29 1
    32   14   30 1
    33   15   31 1
    34   17   32 1
    35   19   33 1
    36   21   34 1
    37   21   35 1
    38   22   36 1
    39   22   37 1
    40   22   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.2020
  Crash		| -0.6888
  Polar		| 0.0001
  FragIndex	| 1
  FragRMSD	| 0.149