@<TRIPOS>MOLECULE
BindingDB_25791
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        52.2577   49.4082   34.5614  C     
2    C        52.9176   48.1657   34.5193  C     
3    C        52.3433   47.0399   35.1498  C     
4    C        51.0993   47.1637   35.7928  C     
5    C        50.4357   48.4145   35.8350  C     
6    C        51.0075   49.5581   35.2116  C     
7    C        50.3345   50.7791   35.1795  C     
8    O        50.3394   51.3252   34.0816  O     
9    C        49.8429   50.9356   37.5967  C     
10   C        48.7516   52.4616   36.0339  C     
11   C        49.2203   53.7115   36.8235  C     
12   C        50.4061   52.1379   38.4310  C     
13   N        49.6679   51.3439   36.2104  N     
14   C        50.0353   54.6213   39.1039  C     
15   C        49.0205   55.6825   39.3779  C     
16   C        49.1050   56.9554   38.7572  C     
17   C        48.1524   57.9537   39.0347  C     
18   C        47.0965   57.6970   39.9293  C     
19   C        47.0046   56.4431   40.5533  C     
20   C        47.9557   55.4436   40.2740  C     
21   C        49.4736   53.3867   38.3294  C     
22   F        49.2847   48.4925   36.4347  F     
23   H        52.7043   50.2117   34.1124  H     
24   H        53.8218   48.0748   34.0475  H     
25   H        52.8218   46.1378   35.1180  H     
26   H        50.6736   46.3373   36.2266  H     
27   H        50.5182   50.0904   37.7165  H     
28   H        48.8864   50.6189   38.0196  H     
29   H        47.7619   52.1602   36.3976  H     
30   H        48.6222   52.7625   34.9921  H     
31   H        50.1387   54.0846   36.3689  H     
32   H        48.4685   54.4975   36.7241  H     
33   H        50.5070   51.8275   39.4759  H     
34   H        51.4067   52.3875   38.0609  H     
35   H        50.8812   55.0212   38.5399  H     
36   H        50.4431   54.2923   40.0653  H     
37   H        49.8590   57.1626   38.1017  H     
38   H        48.2196   58.8724   38.5817  H     
39   H        46.4133   58.4274   40.1416  H     
40   H        46.2455   56.2592   41.2135  H     
41   H        47.8709   54.5422   40.7488  H     
42   H        48.5133   53.1065   38.7757  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    5   22 1
     8    6    7 1
     9    7    8 2
    10    7   13 1
    11    9   12 1
    12    9   13 1
    13   10   11 1
    14   10   13 1
    15   11   21 1
    16   12   21 1
    17   14   15 1
    18   14   21 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25    1   23 1
    26    2   24 1
    27    3   25 1
    28    4   26 1
    29    9   27 1
    30    9   28 1
    31   10   29 1
    32   10   30 1
    33   11   31 1
    34   11   32 1
    35   12   33 1
    36   12   34 1
    37   14   35 1
    38   14   36 1
    39   16   37 1
    40   17   38 1
    41   18   39 1
    42   19   40 1
    43   20   41 1
    44   21   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5918
  Crash		| -0.6748
  Polar		| 1.0755
  FragIndex	| 1
  FragRMSD	| 0.140