@<TRIPOS>MOLECULE
BindingDB_31849
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.7840   30.4108   -7.8904  C     
2    C        -5.7734   30.3686   -9.3020  C     
3    C        -4.8595   31.2017   -9.9962  C     
4    C        -3.9811   31.9972   -7.9442  C     
5    N        -4.8647   31.2028   -7.2743  N     
6    N        -3.9864   31.9866   -9.3019  N     
7    F        -6.5853   29.6004   -9.9869  F     
8    N        -6.6319   29.6090   -7.1892  N     
9    C        -6.7670   29.4470   -5.8367  C     
10   C        -7.3061   27.8480   -4.0145  C     
11   C        -7.1734   28.1598   -5.3965  C     
12   C        -6.6188   30.4555   -4.8689  C     
13   C        -6.7667   30.1754   -3.5037  C     
14   C        -7.1010   28.8752   -3.0729  C     
15   N        -3.0486   32.7510   -7.3153  N     
16   C        -2.8929   32.9684   -5.9769  C     
17   C        -2.1129   34.5315   -4.2327  C     
18   C        -2.2518   34.1701   -5.6021  C     
19   C        -3.4031   32.1412   -4.9567  C     
20   C        -3.2632   32.4735   -3.5974  C     
21   C        -2.6031   33.6610   -3.2375  C     
22   C        -1.4266   35.7882   -3.8559  C     
23   C        -7.6728   26.4754   -3.5723  C     
24   H        -4.8318   31.1909  -11.0097  H     
25   H        -7.1369   28.9840   -7.7395  H     
26   H        -7.3766   27.4264   -6.0889  H     
27   H        -6.4321   31.4259   -5.1486  H     
28   H        -6.6558   30.9131   -2.8104  H     
29   H        -7.1890   28.6881   -2.0736  H     
30   H        -2.3771   33.1591   -7.8958  H     
31   H        -1.8544   34.7873   -6.3145  H     
32   H        -3.8986   31.2925   -5.1936  H     
33   H        -3.6501   31.8683   -2.8761  H     
34   H        -2.5045   33.8912   -2.2369  H     
35   H        -0.4170   35.7691   -4.2937  H     
36   H        -1.3461   35.9041   -2.7663  H     
37   H        -1.9900   36.6428   -4.2622  H     
38   H        -8.6064   26.1652   -4.0658  H     
39   H        -7.8270   26.4094   -2.4876  H     
40   H        -6.8709   25.7742   -3.8451  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    8 1
     4    2    3 1
     5    2    7 1
     6    3    6 2
     7    4    5 2
     8    4    6 1
     9    4   15 1
    10    8    9 1
    11    9   11 2
    12    9   12 1
    13   10   11 1
    14   10   14 2
    15   10   23 1
    16   12   13 2
    17   13   14 1
    18   15   16 1
    19   16   18 2
    20   16   19 1
    21   17   18 1
    22   17   21 2
    23   17   22 1
    24   19   20 2
    25   20   21 1
    26    3   24 1
    27    8   25 1
    28   11   26 1
    29   12   27 1
    30   13   28 1
    31   14   29 1
    32   15   30 1
    33   18   31 1
    34   19   32 1
    35   20   33 1
    36   21   34 1
    37   22   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   23   39 1
    42   23   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1010
  Crash		| -0.7667
  Polar		| 1.1367
  FragIndex	| 1
  FragRMSD	| 0.264