@<TRIPOS>MOLECULE
BindingDB_5718
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       104.6583  100.7564   78.1951  C     
2    C       103.4204   99.4875   79.8126  C     
3    N       103.5294  100.0977   78.5918  N     
4    N       104.4727   99.5125   80.6736  N     
5    C       105.6168  100.1555   80.3239  C     
6    C       105.7391  100.8001   79.0951  C     
7    C       107.5835  101.0328   80.1842  C     
8    N       106.9618  101.3506   79.0337  N     
9    N       106.7756  100.3038   80.9830  N     
10   C       107.0824   99.7627   82.2702  C     
11   N       104.7756  101.3380   76.9781  N     
12   C       103.8209  101.2619   75.9109  C     
13   C       102.5665  102.0138   76.1799  C     
14   C       100.1859  103.4444   76.7331  C     
15   C       100.1433  102.0525   76.5596  C     
16   C       101.3247  101.3457   76.2754  C     
17   C       102.5935  103.4163   76.3527  C     
18   C       101.4122  104.1287   76.6276  C     
19   N       102.3056   98.8669   80.2525  N     
20   C       101.0652   98.7680   79.5399  C     
21   C       101.1547   97.9343   78.2466  C     
22   O       100.2926   96.7967   78.3013  O     
23   H       108.5392  101.3127   80.4156  H     
24   H       106.3616  100.1272   83.0019  H     
25   H       108.0815  100.0536   82.5959  H     
26   H       107.0324   98.6729   82.2360  H     
27   H       105.5943  101.8297   76.7913  H     
28   H       104.2861  101.6782   75.0144  H     
29   H       103.6278  100.2042   75.7169  H     
30   H        99.3252  103.9671   76.9294  H     
31   H        99.2517  101.5547   76.6401  H     
32   H       101.2714  100.3273   76.1565  H     
33   H       103.4763  103.9230   76.2924  H     
34   H       101.4438  105.1455   76.7426  H     
35   H       102.3205   98.5145   81.1562  H     
36   H       100.3393   98.2986   80.2053  H     
37   H       100.6939   99.7731   79.3061  H     
38   H       100.8409   98.5480   77.4020  H     
39   H       102.1825   97.6036   78.0766  H     
40   H       100.9023   96.0206   78.4343  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    6 2
     3    1   11 1
     4    2    3 2
     5    2    4 1
     6    2   19 1
     7    4    5 2
     8    5    6 1
     9    5    9 1
    10    6    8 1
    11    7    8 2
    12    7    9 1
    13    9   10 1
    14   11   12 1
    15   12   13 1
    16   13   16 1
    17   13   17 2
    18   14   15 1
    19   14   18 2
    20   15   16 2
    21   17   18 1
    22   19   20 1
    23   20   21 1
    24   21   22 1
    25    7   23 1
    26   10   24 1
    27   10   25 1
    28   10   26 1
    29   11   27 1
    30   12   28 1
    31   12   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   17   33 1
    36   18   34 1
    37   19   35 1
    38   20   36 1
    39   20   37 1
    40   21   38 1
    41   21   39 1
    42   22   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6245
  Crash		| -0.4955
  Polar		| 3.9913
  FragIndex	| 1
  FragRMSD	| 0.333