@<TRIPOS>MOLECULE
BindingDB_24055
 59 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        16.1167   15.0038  110.5071  O     
2    C        20.0069   14.7996  108.3985  C     
3    C        19.0354   15.8289  108.6999  C     
4    C        19.6556   13.7094  109.0902  C     
5    N        18.0785   15.2447  109.5912  N     
6    C        18.6400   13.5638  111.3035  C     
7    C        19.5042   14.3411  112.1134  C     
8    C        17.9253   12.5013  111.9091  C     
9    C        18.0780   12.2168  113.2785  C     
10   C        18.9511   12.9899  114.0634  C     
11   C        19.6592   14.0575  113.4828  C     
12   C        21.0986   14.9698  107.5038  C     
13   C        23.1893   14.2248  106.4036  C     
14   C        23.2295   15.3883  105.6231  C     
15   C        22.2340   16.3611  105.7844  C     
16   C        21.1917   16.1523  106.7071  C     
17   C        22.1454   14.0141  107.3270  C     
18   F        22.2418   12.9103  108.0206  F     
19   F        22.2704   17.4535  105.0661  F     
20   C        16.8897   15.7811  109.9455  C     
21   N        16.4376   17.0399  109.7232  N     
22   C        17.3551   18.1637  109.6904  C     
23   C        18.4517   13.8777  109.8532  C     
24   C        15.0133   17.2824  109.4550  C     
25   C        13.2724   17.9962  107.7103  C     
26   C        12.7971   18.4003  110.0891  C     
27   C        14.2826   18.2047  110.4803  C     
28   C        14.7812   17.7945  108.0018  C     
29   N        12.6729   18.8749  108.7129  N     
30   C        12.0826   20.0439  108.3718  C     
31   C        11.5279   21.0106  109.3142  C     
32   O        11.9656   20.3581  107.1867  O     
33   H        19.5535   16.6708  109.1677  H     
34   H        18.5266   16.1346  107.7805  H     
35   H        20.1040   12.8295  109.0534  H     
36   H        20.0225   15.1232  111.7100  H     
37   H        17.2790   11.9314  111.3589  H     
38   H        17.5503   11.4494  113.7025  H     
39   H        19.0565   12.7850  115.0565  H     
40   H        20.2878   14.6248  114.0564  H     
41   H        23.9315   13.5344  106.2916  H     
42   H        23.9896   15.5276  104.9537  H     
43   H        20.4960   16.8987  106.7787  H     
44   H        18.1052   18.0670  110.4773  H     
45   H        16.8665   19.1161  109.8509  H     
46   H        17.8401   18.2350  108.7205  H     
47   H        17.6987   13.2173  109.4036  H     
48   H        14.4500   16.3379  109.4917  H     
49   H        13.1798   18.3604  106.6793  H     
50   H        12.7628   17.0260  107.7384  H     
51   H        12.2654   17.4438  110.1814  H     
52   H        12.3454   19.0700  110.8262  H     
53   H        14.3350   17.7583  111.4736  H     
54   H        14.7293   19.1972  110.5305  H     
55   H        15.2955   18.7460  107.8496  H     
56   H        15.1915   17.0684  107.2898  H     
57   H        10.7307   20.5505  109.9009  H     
58   H        11.1032   21.8821  108.8122  H     
59   H        12.3144   21.3621  109.9824  H     
@<TRIPOS>BOND
     1    1   20 2
     2    2    3 1
     3    2    4 2
     4    2   12 1
     5    3    5 1
     6    4   23 1
     7    5   20 1
     8    5   23 1
     9    6    7 2
    10    6    8 1
    11   23    6 1
    12    7   11 1
    13    8    9 2
    14    9   10 1
    15   10   11 2
    16   12   16 2
    17   12   17 1
    18   13   14 1
    19   13   17 2
    20   14   15 2
    21   15   16 1
    22   15   19 1
    23   17   18 1
    24   20   21 am
    25   21   22 1
    26   21   24 1
    27   24   27 1
    28   24   28 1
    29   25   28 1
    30   25   29 1
    31   26   27 1
    32   26   29 1
    33   29   30 am
    34   30   31 1
    35   30   32 2
    36    3   33 1
    37    3   34 1
    38    4   35 1
    39    7   36 1
    40    8   37 1
    41    9   38 1
    42   10   39 1
    43   11   40 1
    44   13   41 1
    45   14   42 1
    46   16   43 1
    47   22   44 1
    48   22   45 1
    49   22   46 1
    50   23   47 1
    51   24   48 1
    52   25   49 1
    53   25   50 1
    54   26   51 1
    55   26   52 1
    56   27   53 1
    57   27   54 1
    58   28   55 1
    59   28   56 1
    60   31   57 1
    61   31   58 1
    62   31   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8467
  Crash		| -0.6695
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.479