@<TRIPOS>MOLECULE
BindingDB_10020
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        21.0834   30.9098   18.1136  C     
2    C        20.8261   29.5404   18.3505  C     
3    C        20.0373   29.1665   19.4678  C     
4    C        19.4939   30.1795   20.2857  C     
5    C        19.7717   31.5363   20.0418  C     
6    C        20.6183   31.9220   18.9806  C     
7    C        21.0663   33.3293   18.7682  C     
8    O        19.7372   27.8934   19.8634  O     
9    N        19.7976   25.1695   20.5304  N     
10   S        20.5057   26.3988   19.6261  S     
11   O        20.4645   25.9513   17.9940  O     
12   O        22.1427   26.5128   20.0564  O     
13   N        22.5125   33.4781   18.9530  N     
14   C        23.1478   33.4066   20.1823  C     
15   C        22.4437   33.1729   21.3921  C     
16   C        23.0899   33.0491   22.6351  C     
17   C        24.4862   33.1834   22.7193  C     
18   C        25.2181   33.4593   21.5454  C     
19   C        24.5541   33.5743   20.3089  C     
20   C        25.0768   33.0969   23.8796  C     
21   N        25.5842   33.0232   24.9090  N     
22   C        24.1257   32.7892   17.3177  C     
23   C        23.0769   34.6056   16.9166  C     
24   N        23.2057   33.6290   17.8271  N     
25   N        23.8852   34.3448   15.8773  N     
26   N        24.5299   33.2494   16.1246  N     
27   Br       21.5932   28.3193   17.1615  Br    
28   H        21.6530   31.1604   17.3015  H     
29   H        18.9139   29.9283   21.0827  H     
30   H        19.3826   32.2436   20.6746  H     
31   H        20.7572   33.6112   17.7587  H     
32   H        20.5472   34.0163   19.4330  H     
33   H        19.9930   24.2515   20.3007  H     
34   H        19.1310   25.3818   21.2047  H     
35   H        21.4307   33.0884   21.3951  H     
36   H        22.5233   32.8719   23.4645  H     
37   H        26.2399   33.5906   21.5798  H     
38   H        25.1378   33.7965   19.4984  H     
39   H        24.4647   31.9245   17.7531  H     
40   H        22.4508   35.4022   16.9766  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   27 1
     5    3    4 2
     6    3    8 1
     7    4    5 1
     8    5    6 2
     9    6    7 1
    10    7   13 1
    11    8   10 1
    12    9   10 am
    13   10   11 2
    14   10   12 2
    15   13   14 1
    16   13   24 1
    17   14   15 2
    18   14   19 1
    19   15   16 1
    20   16   17 2
    21   17   18 1
    22   17   20 1
    23   18   19 2
    24   20   21 3
    25   22   24 1
    26   22   26 2
    27   23   24 1
    28   23   25 2
    29   25   26 1
    30    1   28 1
    31    4   29 1
    32    5   30 1
    33    7   31 1
    34    7   32 1
    35    9   33 1
    36    9   34 1
    37   15   35 1
    38   16   36 1
    39   18   37 1
    40   19   38 1
    41   22   39 1
    42   23   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7578
  Crash		| -2.0124
  Polar		| 2.5887
  FragIndex	| 1
  FragRMSD	| 0.958