@<TRIPOS>MOLECULE
BindingDB_50181136
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.2373   15.8287  105.7555  C     
2    C        22.1864   16.7568  105.8117  C     
3    C        21.0358   16.4667  106.5668  C     
4    C        20.8899   15.2469  107.2982  C     
5    C        21.9670   14.3176  107.1923  C     
6    C        23.1217   14.6088  106.4326  C     
7    C        19.7270   15.0301  108.0893  C     
8    C        18.7229   16.0471  108.3754  C     
9    N        17.7353   15.4101  109.2086  N     
10   C        18.1357   14.0610  109.4725  C     
11   C        19.3445   13.9126  108.7129  C     
12   C        18.3741   13.7732  110.9203  C     
13   C        17.7334   12.6841  111.5537  C     
14   C        17.9864   12.3874  112.9057  C     
15   C        18.8895   13.1736  113.6433  C     
16   C        19.5125   14.2776  113.0382  C     
17   C        19.2483   14.5822  111.6897  C     
18   C        16.5569   15.9448  109.6067  C     
19   O        15.7846   15.1347  110.1270  O     
20   F        21.9773   13.1643  107.8048  F     
21   F        22.2863   17.8806  105.1566  F     
22   O        20.3964   15.0295  113.7353  O     
23   N        16.0919   17.2096  109.5154  N     
24   C        16.9698   18.3303  109.2241  C     
25   C        14.6923   17.4971  109.7704  C     
26   H        24.0892   16.0437  105.2275  H     
27   H        20.2963   17.1703  106.5623  H     
28   H        23.8921   13.9395  106.3864  H     
29   H        19.1774   16.8948  108.8964  H     
30   H        18.2624   16.3593  107.4397  H     
31   H        17.3958   13.3714  109.0454  H     
32   H        19.8140   13.0401  108.6679  H     
33   H        17.0787   12.0905  111.0352  H     
34   H        17.5263   11.5907  113.3500  H     
35   H        19.0924   12.9363  114.6153  H     
36   H        19.7048   15.3948  111.2666  H     
37   H        21.1774   14.4488  113.8613  H     
38   H        17.8098   18.3392  109.9196  H     
39   H        16.4707   19.3041  109.3255  H     
40   H        17.3501   18.2682  108.2068  H     
41   H        14.0671   16.8750  109.1224  H     
42   H        14.4025   18.5352  109.5832  H     
43   H        14.4490   17.2720  110.8124  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    1   26 1
    29    3   27 1
    30    6   28 1
    31    8   29 1
    32    8   30 1
    33   10   31 1
    34   11   32 1
    35   13   33 1
    36   14   34 1
    37   15   35 1
    38   17   36 1
    39   22   37 1
    40   24   38 1
    41   24   39 1
    42   24   40 1
    43   25   41 1
    44   25   42 1
    45   25   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8985
  Crash		| -0.7350
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.138