@<TRIPOS>MOLECULE
BindingDB_15305
 57 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        61.1255    1.1581   10.3323  C     
2    C        60.6048    0.7352    9.0920  C     
3    C        59.4556   -0.0764    9.0272  C     
4    C        58.7948   -0.5165   10.2025  C     
5    C        59.3752   -0.1477   11.4414  C     
6    C        60.5219    0.6630   11.5046  C     
7    C        57.5867   -1.2358   10.1340  C     
8    C        56.4774   -1.0708   11.1042  C     
9    C        55.1043   -1.1003   10.3483  C     
10   C        55.0910   -2.1855    9.3772  C     
11   N        57.3580   -2.0028    9.1140  N     
12   N        56.2365   -2.5572    8.8181  N     
13   C        56.5152   -2.1678   12.2099  C     
14   O        54.0484   -2.7239    9.0380  O     
15   N        62.1722    2.0255   10.3060  N     
16   C        62.6288    2.9142   11.2138  C     
17   C        63.1616    5.6222   11.8461  C     
18   C        64.2101    4.6511   11.5708  C     
19   C        63.8993    3.3950   11.0661  C     
20   C        61.6185    3.6270   12.0335  C     
21   C        62.0991    4.9321   12.7232  C     
22   C        65.0174    2.5395   10.5951  C     
23   C        64.8933    1.6998    9.3552  C     
24   C        65.0105   -0.5744    8.4116  C     
25   C        64.8541   -0.0527    7.1228  C     
26   C        64.6820    1.3277    6.9435  C     
27   C        64.7137    2.2358    8.0355  C     
28   C        65.0246    0.2932    9.5131  C     
29   O        65.3498    4.9607   11.9063  O     
30   C        64.5885    3.7066    7.7567  C     
31   F        64.4317    4.0405    6.4305  F     
32   F        63.4970    4.2425    8.3869  F     
33   F        65.7165    4.3715    8.1663  F     
34   H        61.0181    1.0735    8.2205  H     
35   H        59.0808   -0.3029    8.1012  H     
36   H        58.9715   -0.4629   12.3261  H     
37   H        60.9240    0.8765   12.4166  H     
38   H        56.5513   -0.0965   11.6001  H     
39   H        54.2734   -1.1931   11.0514  H     
40   H        54.9733   -0.1629    9.8019  H     
41   H        56.2320   -3.2533    8.1405  H     
42   H        56.3652   -3.1622   11.7824  H     
43   H        55.7259   -1.9818   12.9390  H     
44   H        57.4655   -2.1658   12.7434  H     
45   H        62.5728    2.1194    9.4291  H     
46   H        63.5396    6.5172   12.3520  H     
47   H        62.7050    5.9346   10.9028  H     
48   H        60.7727    3.8860   11.3894  H     
49   H        61.2430    2.9684   12.8222  H     
50   H        62.5337    4.6976   13.7004  H     
51   H        61.2532    5.6061   12.8878  H     
52   H        65.9245    3.1273   10.4332  H     
53   H        65.2592    1.9128   11.4602  H     
54   H        65.1211   -1.5828    8.5481  H     
55   H        64.8631   -0.6778    6.3143  H     
56   H        64.5482    1.6601    5.9888  H     
57   H        65.1465   -0.1214   10.4416  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    8 1
    10    7   11 2
    11    8    9 1
    12    8   13 1
    13    9   10 1
    14   10   12 1
    15   10   14 2
    16   11   12 1
    17   15   16 1
    18   16   19 2
    19   16   20 1
    20   17   18 1
    21   17   21 1
    22   18   19 1
    23   18   29 2
    24   19   22 1
    25   20   21 1
    26   22   23 1
    27   23   27 2
    28   23   28 1
    29   24   25 1
    30   24   28 2
    31   25   26 2
    32   26   27 1
    33   27   30 1
    34   30   31 1
    35   30   32 1
    36   30   33 1
    37    2   34 1
    38    3   35 1
    39    5   36 1
    40    6   37 1
    41    8   38 1
    42    9   39 1
    43    9   40 1
    44   12   41 1
    45   13   42 1
    46   13   43 1
    47   13   44 1
    48   15   45 1
    49   17   46 1
    50   17   47 1
    51   20   48 1
    52   20   49 1
    53   21   50 1
    54   21   51 1
    55   22   52 1
    56   22   53 1
    57   24   54 1
    58   25   55 1
    59   26   56 1
    60   28   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8751
  Crash		| -1.2295
  Polar		| 2.7294
  FragIndex	| 1
  FragRMSD	| 0.285