@<TRIPOS>MOLECULE
BindingDB_50209228
 54 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.9940   16.4765  106.4299  C     
2    C        20.8089   15.2917  107.2047  C     
3    C        21.8796   14.3432  107.1680  C     
4    C        23.0415   14.5689  106.4019  C     
5    C        23.1871   15.7516  105.6587  C     
6    C        22.1591   16.7042  105.6692  C     
7    F        22.2974   17.8049  104.9736  F     
8    F        21.8764   13.2375  107.8615  F     
9    C        19.6207   15.1205  107.9772  C     
10   C        18.6278   16.1506  108.1871  C     
11   N        17.6410   15.6038  109.0938  N     
12   C        17.9683   14.2102  109.3761  C     
13   C        19.1892   14.0284  108.6159  C     
14   C        16.5774   16.2680  109.6041  C     
15   C        18.3437   13.9788  110.8318  C     
16   C        17.8744   12.8687  111.5869  C     
17   C        18.2523   12.6653  112.9271  C     
18   C        19.1258   13.5664  113.5551  C     
19   C        19.6358   14.6523  112.8312  C     
20   C        19.2504   14.8551  111.4898  C     
21   C        16.8316   13.2596  108.8130  C     
22   C        16.0467   13.6657  107.5282  C     
23   C        16.8372   13.5318  106.2003  C     
24   N        16.4253   12.3625  105.4242  N     
25   O        15.9724   15.6390  110.4833  O     
26   N        15.9992   17.4444  109.2658  N     
27   C        14.8729   18.0246  109.9806  C     
28   C        16.3986   18.1874  108.0873  C     
29   H        20.2767   17.2053  106.4031  H     
30   H        23.8002   13.8827  106.3928  H     
31   H        24.0414   15.9129  105.1136  H     
32   H        19.1022   17.0286  108.6364  H     
33   H        18.1793   16.3905  107.2196  H     
34   H        19.6411   13.1437  108.5788  H     
35   H        17.2639   12.1681  111.1710  H     
36   H        17.9089   11.8490  113.4397  H     
37   H        19.4140   13.4085  114.5220  H     
38   H        20.3074   15.2849  113.2744  H     
39   H        19.6608   15.6466  110.9910  H     
40   H        17.2407   12.2588  108.6587  H     
41   H        16.0664   13.1641  109.5952  H     
42   H        15.1510   13.0401  107.4715  H     
43   H        15.6867   14.6926  107.6272  H     
44   H        16.6885   14.4201  105.5821  H     
45   H        17.9059   13.4194  106.3723  H     
46   H        16.3749   11.5456  106.0355  H     
47   H        17.1276   12.2161  104.6971  H     
48   H        15.5147   12.5297  104.9924  H     
49   H        14.0069   18.0806  109.3205  H     
50   H        15.1237   19.0351  110.3022  H     
51   H        14.5589   17.4834  110.8732  H     
52   H        17.4237   18.5463  108.1849  H     
53   H        15.7874   19.0752  107.9069  H     
54   H        16.2912   17.5605  107.1988  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2    9 1
     5    3    4 2
     6    3    8 1
     7    4    5 1
     8    5    6 2
     9    6    7 1
    10    9   10 1
    11    9   13 2
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 1
    16   12   15 1
    17   12   21 1
    18   14   25 2
    19   14   26 am
    20   15   16 2
    21   15   20 1
    22   16   17 1
    23   17   18 2
    24   18   19 1
    25   19   20 2
    26   21   22 1
    27   22   23 1
    28   23   24 1
    29   26   27 1
    30   26   28 1
    31    1   29 1
    32    4   30 1
    33    5   31 1
    34   10   32 1
    35   10   33 1
    36   13   34 1
    37   16   35 1
    38   17   36 1
    39   18   37 1
    40   19   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
    44   22   42 1
    45   22   43 1
    46   23   44 1
    47   23   45 1
    48   24   46 1
    49   24   47 1
    50   24   48 1
    51   27   49 1
    52   27   50 1
    53   27   51 1
    54   28   52 1
    55   28   53 1
    56   28   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4796
  Crash		| -1.2860
  Polar		| 2.5806
  FragIndex	| 1
  FragRMSD	| 1.093