@<TRIPOS>MOLECULE
BindingDB_14789
 40 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.2573   47.9783  -12.0622  C     
2    C         1.1581   48.5034  -11.3936  C     
3    C         1.6693   48.9839  -10.1816  C     
4    N         3.3200   48.1277  -11.2589  N     
5    N         3.0067   48.7236  -10.1421  N     
6    C         2.3236   47.3857  -13.4081  C     
7    C         0.9176   49.8278   -9.2334  C     
8    C        -0.1729   48.5750  -11.8635  C     
9    O        -0.4282   48.7795  -13.1763  O     
10   O        -1.1930   48.4835  -10.9693  O     
11   C        -2.5969   48.6185  -11.2161  C     
12   C        -3.2052   49.6000  -10.1939  C     
13   C         3.9815   49.0676   -9.2012  C     
14   C         3.6977   49.4144   -7.8547  C     
15   C         4.7043   49.8167   -6.9435  C     
16   C         6.0411   49.8526   -7.3962  C     
17   C         5.3467   49.1062   -9.5924  C     
18   C         6.3877   49.4925   -8.7149  C     
19   C         7.8122   49.5901   -9.1517  C     
20   F         8.0522   49.1659  -10.4387  F     
21   F         8.2266   50.8975   -9.0793  F     
22   F         8.6205   48.8331   -8.3356  F     
23   C         4.3289   50.2091   -5.5529  C     
24   F         5.3864   50.5354   -4.7358  F     
25   F         3.5096   51.3107   -5.5934  F     
26   F         3.6538   49.1872   -4.9295  F     
27   H         1.6210   46.5562  -13.4828  H     
28   H         3.3294   47.0153  -13.6155  H     
29   H         2.0691   48.1395  -14.1551  H     
30   H         0.0373   50.2899   -9.6804  H     
31   H         1.5801   50.6311   -8.9177  H     
32   H         0.5999   49.2360   -8.3710  H     
33   H        -2.7529   49.0067  -12.2267  H     
34   H        -3.0937   47.6495  -11.1285  H     
35   H        -3.1521   49.1661   -9.1915  H     
36   H        -4.2517   49.7972  -10.4365  H     
37   H        -2.6583   50.5472  -10.2018  H     
38   H         2.7374   49.3875   -7.4998  H     
39   H         6.7802   50.1564   -6.7595  H     
40   H         5.5899   48.8825  -10.5589  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 2
     3    1    6 1
     4    2    3 2
     5    2    8 1
     6    3    5 1
     7    3    7 1
     8    4    5 1
     9    5   13 1
    10    8    9 2
    11    8   10 1
    12   10   11 1
    13   11   12 1
    14   13   14 2
    15   13   17 1
    16   14   15 1
    17   15   16 2
    18   15   23 1
    19   16   18 1
    20   17   18 2
    21   18   19 1
    22   19   20 1
    23   19   21 1
    24   19   22 1
    25   23   24 1
    26   23   25 1
    27   23   26 1
    28    6   27 1
    29    6   28 1
    30    6   29 1
    31    7   30 1
    32    7   31 1
    33    7   32 1
    34   11   33 1
    35   11   34 1
    36   12   35 1
    37   12   36 1
    38   12   37 1
    39   14   38 1
    40   16   39 1
    41   17   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2881
  Crash		| -0.4573
  Polar		| 1.1131
  FragIndex	| 1
  FragRMSD	| 0.795