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


@<TRIPOS>ATOM
1    C        19.7420   30.5663   19.8352  C     
2    C        19.8630   29.2040   20.1715  C     
3    C        20.6512   28.3560   19.3678  C     
4    C        21.2934   28.8785   18.2332  C     
5    C        21.1692   30.2400   17.9065  C     
6    C        20.4008   31.1134   18.7119  C     
7    C        20.2668   32.5570   18.3761  C     
8    O        20.8474   27.0315   19.5945  O     
9    N        20.1416   24.4636   18.9521  N     
10   S        19.6565   25.8413   19.7636  S     
11   O        19.4103   25.4218   21.3825  O     
12   O        18.1594   26.3863   19.1734  O     
13   N        20.6023   33.4812   19.4522  N     
14   C        21.8535   33.5891   20.0353  C     
15   C        22.1053   34.5179   21.0868  C     
16   C        23.3616   34.6336   21.7082  C     
17   C        24.4318   33.8138   21.3024  C     
18   C        24.2323   32.8979   20.2498  C     
19   C        22.9708   32.8040   19.6289  C     
20   C        25.5925   33.8899   21.8899  C     
21   N        26.6130   33.9564   22.4136  N     
22   C        18.6366   34.1833   20.6344  C     
23   C        19.4502   35.5350   19.1992  C     
24   N        19.6347   34.3320   19.7555  N     
25   N        18.3533   36.0968   19.7290  N     
26   N        17.8597   35.2794   20.5993  N     
27   Br       19.0521   28.6375   21.7482  Br    
28   H        19.1800   31.1739   20.4410  H     
29   H        21.8722   28.2701   17.6447  H     
30   H        21.6416   30.5900   17.0615  H     
31   H        20.8851   32.8105   17.5107  H     
32   H        19.2306   32.6880   18.0486  H     
33   H        19.7539   23.6043   19.1900  H     
34   H        20.9736   24.4744   18.4450  H     
35   H        21.3648   35.1302   21.4224  H     
36   H        23.4850   35.3116   22.4619  H     
37   H        24.9898   32.2956   19.9221  H     
38   H        22.8887   32.1466   18.8535  H     
39   H        18.4681   33.3705   21.2309  H     
40   H        20.0325   35.9594   18.4772  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	| 4.1600
  Crash		| -1.3429
  Polar		| 1.0480
  FragIndex	| 1
  FragRMSD	| 0.213