@<TRIPOS>MOLECULE
BindingDB_7773
 43 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.3489   51.6407   15.7018  C     
2    C        -8.6280   50.2836   13.6976  C     
3    C        -9.4581   50.2789   12.5994  C     
4    C        -8.9608   51.3995   14.4603  C     
5    N        -9.9230   52.0575   13.7998  N     
6    C       -10.2376   51.3813   12.7140  C     
7    O       -11.0530   51.7878   11.8986  O     
8    N       -10.4682   49.1442   10.7815  N     
9    C       -10.4963   48.2521    9.7530  C     
10   C        -9.4565   46.6745    8.1716  C     
11   C        -9.3499   47.6107    9.2154  C     
12   C       -11.7578   47.9364    9.2016  C     
13   C        -7.3926   50.7173   16.1796  C     
14   C        -7.0221   49.5846   15.4082  C     
15   C        -7.6490   49.3780   14.1550  C     
16   C        -9.4744   49.3199   11.6554  C     
17   C       -11.8739   46.9632    8.1864  C     
18   C       -10.9300   45.3488    6.6016  C     
19   C       -10.7246   46.3387    7.6664  C     
20   C       -13.1612   46.5307    7.6276  C     
21   S       -12.7169   45.2674    6.4261  S     
22   O       -13.1614   45.6754    4.9555  O     
23   O       -13.2465   43.8437    6.8962  O     
24   C        -6.0811   48.6450   15.8968  C     
25   C        -4.9373   47.3679   17.2334  C     
26   C        -5.2194   47.8344   15.1570  C     
27   O        -5.8836   48.3336   17.1994  O     
28   N        -4.5226   47.0591   15.9960  N     
29   H        -8.6125   52.4557   16.2580  H     
30   H       -10.3067   52.9138   14.0556  H     
31   H       -11.2983   49.6108   10.9706  H     
32   H        -8.6145   46.2330    7.7938  H     
33   H        -8.4160   47.8341    9.5615  H     
34   H       -12.6046   48.3809    9.5689  H     
35   H        -6.9614   50.8843   17.0926  H     
36   H        -7.4328   48.5481   13.6003  H     
37   H        -8.7629   48.6303   11.6897  H     
38   H       -10.4702   45.6791    5.6689  H     
39   H       -10.5347   44.3739    6.8915  H     
40   H       -13.7965   46.1044    8.4059  H     
41   H       -13.6754   47.3608    7.1402  H     
42   H        -4.5869   46.9275   18.0855  H     
43   H        -5.1169   47.8248   14.1404  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   13 1
     3    2    3 1
     4    2    4 1
     5    2   15 2
     6    3    6 1
     7    3   16 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   16 1
    13    9   11 2
    14    9   12 1
    15   10   11 1
    16   10   19 2
    17   12   17 2
    18   13   14 2
    19   14   15 1
    20   14   24 1
    21   17   19 1
    22   17   20 1
    23   18   19 1
    24   18   21 1
    25   20   21 1
    26   21   22 2
    27   21   23 2
    28   24   26 2
    29   24   27 1
    30   25   27 1
    31   25   28 2
    32   26   28 1
    33    1   29 1
    34    5   30 1
    35    8   31 1
    36   10   32 1
    37   11   33 1
    38   12   34 1
    39   13   35 1
    40   15   36 1
    41   16   37 1
    42   18   38 1
    43   18   39 1
    44   20   40 1
    45   20   41 1
    46   25   42 1
    47   26   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7380
  Crash		| -0.6374
  Polar		| 2.7895
  FragIndex	| 1
  FragRMSD	| 1.033