@<TRIPOS>MOLECULE
BindingDB_14333
 42 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.8886    1.6731   25.6594  C     
2    C         8.8023    0.4810   24.8798  C     
3    C         9.0599    0.5937   23.4746  C     
4    C         9.3310    1.8433   22.8729  C     
5    C         9.3733    2.9827   23.6844  C     
6    C         9.1800    2.9116   25.0522  C     
7    C         9.5900    5.0000   24.5061  C     
8    N         9.5918    4.2607   23.3838  N     
9    C         8.4588   -0.7730   25.4942  C     
10   N         8.4974   -1.9603   24.8536  N     
11   N         8.0388   -0.8938   26.7687  N     
12   C         9.8159    6.4108   24.5802  C     
13   C        10.2342    9.2142   24.8392  C     
14   C        10.4039    8.6127   23.5712  C     
15   C        10.1934    7.2098   23.4605  C     
16   C         9.8653    8.4437   25.9538  C     
17   C         9.6584    7.0615   25.8277  C     
18   O        10.3523    6.6497   22.2384  O     
19   N         9.3224    4.1620   25.5432  N     
20   C        10.7662    9.4237   22.4479  C     
21   C        11.8320    9.0527   21.5822  C     
22   C        10.0592   10.6195   22.1505  C     
23   C        10.3855   11.3960   21.0224  C     
24   C        11.4201   10.9901   20.1631  C     
25   C        12.1462    9.8240   20.4486  C     
26   F         9.0515   -0.4228   22.6584  F     
27   H         8.7414    1.6670   26.6729  H     
28   H         9.4891    1.9317   21.8665  H     
29   H         9.7371    4.5874   22.4876  H     
30   H         8.2952   -2.7761   25.3437  H     
31   H         7.8219   -1.7782   27.1087  H     
32   H         7.9277   -0.1213   27.3426  H     
33   H        10.3920   10.2175   24.9695  H     
34   H         9.7446    8.8978   26.8655  H     
35   H         9.3946    6.5423   26.6650  H     
36   H        11.1087    6.0394   22.3444  H     
37   H        12.3904    8.2200   21.7755  H     
38   H         9.2939   10.9266   22.7486  H     
39   H         9.8595   12.2510   20.8237  H     
40   H        11.6476   11.5466   19.3353  H     
41   H        12.9124    9.5333   19.8301  H     
42   H         8.7613   -2.0320   23.9276  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2    9 1
     5    3    4 1
     6    3   26 1
     7    4    5 2
     8    5    6 1
     9    5    8 1
    10    6   19 1
    11    7    8 1
    12    7   12 1
    13    7   19 2
    14    9   10 2
    15    9   11 1
    16   12   15 2
    17   12   17 1
    18   13   14 2
    19   13   16 1
    20   14   15 1
    21   14   20 1
    22   15   18 1
    23   16   17 2
    24   20   21 1
    25   20   22 2
    26   21   25 2
    27   22   23 1
    28   23   24 2
    29   24   25 1
    30    1   27 1
    31    4   28 1
    32    8   29 1
    33   10   30 1
    34   11   31 1
    35   11   32 1
    36   13   33 1
    37   16   34 1
    38   17   35 1
    39   18   36 1
    40   21   37 1
    41   22   38 1
    42   23   39 1
    43   24   40 1
    44   25   41 1
    45   10   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3200
  Crash		| -1.1651
  Polar		| 4.8695
  FragIndex	| 1
  FragRMSD	| 0.585