@<TRIPOS>MOLECULE
BindingDB_50181138
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        22.9742   15.3759  105.4880  C     
2    C        21.7340   16.0130  105.3243  C     
3    C        20.6726   15.7137  106.1968  C     
4    C        20.7845   14.7474  107.2493  C     
5    C        22.0703   14.1218  107.3950  C     
6    C        23.1382   14.4351  106.5222  C     
7    C        19.6706   14.4774  108.0921  C     
8    C        18.5542   15.3838  108.2694  C     
9    N        17.6715   14.7489  109.1891  N     
10   C        18.1997   13.4739  109.5948  C     
11   C        19.4314   13.4005  108.8639  C     
12   C        18.3647   13.3425  111.0803  C     
13   C        19.2452   14.1892  111.8018  C     
14   C        19.3025   14.1498  113.2064  C     
15   C        18.4567   13.2796  113.9193  C     
16   C        17.5727   12.4274  113.2259  C     
17   C        17.5411   12.4540  111.8173  C     
18   C        16.5019   15.2570  109.6089  C     
19   C        15.8887   16.5165  109.1517  C     
20   O        15.8397   14.6085  110.4155  O     
21   F        22.3879   13.2619  108.3329  F     
22   F        21.5583   16.8736  104.3555  F     
23   O        16.7105   11.6472  113.9190  O     
24   C        15.9568   17.6378  110.2466  C     
25   C        17.4369   17.9789  110.6018  C     
26   C        15.1977   18.9484  109.8527  C     
27   N        14.5079   16.1971  108.7258  N     
28   H        23.7507   15.6060  104.8615  H     
29   H        19.7895   16.2090  106.0270  H     
30   H        24.0520   13.9894  106.6219  H     
31   H        18.9230   16.3417  108.6641  H     
32   H        18.0370   15.5220  107.3105  H     
33   H        17.5490   12.6817  109.2021  H     
34   H        19.9913   12.5793  108.9011  H     
35   H        19.8329   14.8641  111.3027  H     
36   H        19.9221   14.7867  113.7116  H     
37   H        18.4913   13.2554  114.9378  H     
38   H        16.8720   11.8482  111.3250  H     
39   H        16.3752   16.8955  108.2532  H     
40   H        15.9223   11.5179  113.3449  H     
41   H        15.4744   17.2783  111.1663  H     
42   H        17.9593   17.0810  110.9541  H     
43   H        17.4841   18.7267  111.3857  H     
44   H        17.9567   18.3711  109.7194  H     
45   H        15.5443   19.3281  108.8775  H     
46   H        15.3392   19.7237  110.5992  H     
47   H        14.1221   18.7369  109.7767  H     
48   H        14.5233   15.4277  108.0594  H     
49   H        14.0950   17.0260  108.2930  H     
50   H        13.9562   15.9274  109.5548  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 1
     5    3    4 2
     6    4    5 1
     7    4    7 1
     8    5    6 2
     9    5   21 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    9   10 1
    14    9   18 am
    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   23 1
    24   18   19 1
    25   18   20 2
    26   19   24 1
    27   19   27 1
    28   24   25 1
    29   24   26 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   19   39 1
    42   23   40 1
    43   24   41 1
    44   25   42 1
    45   25   43 1
    46   25   44 1
    47   26   45 1
    48   26   46 1
    49   26   47 1
    50   27   48 1
    51   27   49 1
    52   27   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6680
  Crash		| -1.0567
  Polar		| 0.9454
  FragIndex	| 1
  FragRMSD	| 0.212