@<TRIPOS>MOLECULE
BindingDB_10017
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.6427   30.3589   21.0327  C     
2    C        19.9669   29.0223   20.7596  C     
3    C        20.3515   28.6281   19.4612  C     
4    C        20.4412   29.6112   18.4522  C     
5    C        20.0848   30.9501   18.7168  C     
6    C        19.6680   31.3368   20.0110  C     
7    C        19.1760   32.7101   20.3037  C     
8    O        20.5995   27.3261   19.1171  O     
9    N        20.2746   24.5535   18.8406  N     
10   S        19.7703   25.9403   19.6443  S     
11   O        19.9951   25.7184   21.3052  O     
12   O        18.1035   26.1569   19.4656  O     
13   N        20.1006   33.8313   20.1945  N     
14   C        21.4313   33.8262   20.5853  C     
15   C        22.2611   34.9736   20.4197  C     
16   C        23.6210   34.9814   20.7972  C     
17   C        24.2055   33.8310   21.3612  C     
18   C        23.4094   32.6883   21.5604  C     
19   C        22.0507   32.6967   21.1877  C     
20   C        25.4640   33.8217   21.7112  C     
21   N        26.5720   33.8015   22.0244  N     
22   C        19.5933   35.6148   18.6764  C     
23   C        18.6407   35.6772   20.5927  C     
24   N        19.5110   34.9702   19.8499  N     
25   N        18.2212   36.7332   19.8824  N     
26   N        18.7947   36.6947   18.7196  N     
27   H        19.3566   30.6026   21.9836  H     
28   H        19.9011   28.3444   21.5156  H     
29   H        20.7246   29.3442   17.5067  H     
30   H        20.1048   31.6321   17.9559  H     
31   H        18.3269   32.8402   19.6215  H     
32   H        18.7472   32.7585   21.3055  H     
33   H        19.8174   23.7194   19.0236  H     
34   H        21.1607   24.5263   18.4559  H     
35   H        21.8892   35.8309   20.0049  H     
36   H        24.1726   35.8324   20.6489  H     
37   H        23.8038   31.8426   21.9881  H     
38   H        21.5185   31.8542   21.3988  H     
39   H        20.1557   35.3301   17.8727  H     
40   H        18.3301   35.4504   21.5420  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    8 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7   13 1
    10    8   10 1
    11    9   10 am
    12   10   11 2
    13   10   12 2
    14   13   14 1
    15   13   24 1
    16   14   15 2
    17   14   19 1
    18   15   16 1
    19   16   17 2
    20   17   18 1
    21   17   20 1
    22   18   19 2
    23   20   21 3
    24   22   24 1
    25   22   26 2
    26   23   24 1
    27   23   25 2
    28   25   26 1
    29    1   27 1
    30    2   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	| 3.9263
  Crash		| -1.2977
  Polar		| 0.8567
  FragIndex	| 1
  FragRMSD	| 1.055