@<TRIPOS>MOLECULE
BindingDB_50181142
 47 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.2914   15.8422  105.8383  C     
2    C        22.2259   16.7440  105.9221  C     
3    C        21.0394   16.3667  106.5750  C     
4    C        20.8706   15.0866  107.1799  C     
5    C        21.9768   14.1858  107.0638  C     
6    C        23.1603   14.5616  106.4048  C     
7    C        19.6673   14.7948  107.8810  C     
8    C        18.5919   15.7488  108.0615  C     
9    N        17.5985   15.1115  108.8821  N     
10   C        18.0651   13.8066  109.2540  C     
11   C        19.3191   13.6893  108.5439  C     
12   C        18.2498   13.6641  110.7346  C     
13   C        19.1823   14.4730  111.4351  C     
14   C        19.3894   14.3135  112.8174  C     
15   C        18.6479   13.3592  113.5328  C     
16   C        17.6832   12.5763  112.8722  C     
17   C        17.4898   12.7289  111.4815  C     
18   C        16.3659   15.5964  109.1508  C     
19   O        15.5549   14.7410  109.5114  O     
20   F        21.9679   12.9790  107.5645  F     
21   F        22.3390   17.9415  105.4085  F     
22   O        16.9561   11.6859  113.5947  O     
23   N        15.9006   16.8662  109.1048  N     
24   C        14.4607   17.1045  109.0692  C     
25   C        16.7707   18.0324  109.1721  C     
26   C        17.7480   18.0072  110.3797  C     
27   O        19.0020   18.5868  110.0372  O     
28   H        24.1620   16.1148  105.3823  H     
29   H        20.2954   17.0681  106.6026  H     
30   H        23.9476   13.9159  106.3303  H     
31   H        19.0015   16.6398  108.5497  H     
32   H        18.1541   16.0064  107.0901  H     
33   H        17.3968   13.0393  108.8520  H     
34   H        19.8651   12.8557  108.5945  H     
35   H        19.7430   15.1706  110.9375  H     
36   H        20.0891   14.8850  113.2993  H     
37   H        18.8049   13.2445  114.5345  H     
38   H        16.7937   12.1436  111.0103  H     
39   H        16.1202   11.5317  113.1050  H     
40   H        14.0209   16.5591  108.2297  H     
41   H        14.1777   18.1511  108.9414  H     
42   H        13.9934   16.7523  109.9932  H     
43   H        17.3131   18.1282  108.2241  H     
44   H        16.2187   18.9717  109.2558  H     
45   H        17.3200   18.5583  111.2177  H     
46   H        17.9427   16.9948  110.7163  H     
47   H        19.5007   18.6577  110.8810  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   21 1
     5    3    4 2
     6    4    5 1
     7    4    7 1
     8    5    6 2
     9    5   20 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    9   10 1
    14    9   18 1
    15   10   11 1
    16   10   12 1
    17   12   13 2
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   16 1
    22   16   17 2
    23   16   22 1
    24   18   19 2
    25   18   23 am
    26   23   24 1
    27   23   25 1
    28   25   26 1
    29   26   27 1
    30    1   28 1
    31    3   29 1
    32    6   30 1
    33    8   31 1
    34    8   32 1
    35   10   33 1
    36   11   34 1
    37   13   35 1
    38   14   36 1
    39   15   37 1
    40   17   38 1
    41   22   39 1
    42   24   40 1
    43   24   41 1
    44   24   42 1
    45   25   43 1
    46   25   44 1
    47   26   45 1
    48   26   46 1
    49   27   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7373
  Crash		| -1.5427
  Polar		| 0.7107
  FragIndex	| 1
  FragRMSD	| 1.112