@<TRIPOS>MOLECULE
BindingDB_24057
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        15.9900   14.8222  110.2528  O     
2    C        19.8435   14.4950  108.0882  C     
3    C        18.8716   15.5394  108.3354  C     
4    C        19.4836   13.4328  108.8174  C     
5    N        17.9079   14.9942  109.2399  N     
6    C        18.5653   13.4767  111.0640  C     
7    C        17.9557   12.4205  111.7848  C     
8    C        19.4133   14.3707  111.7697  C     
9    C        19.6432   14.2091  113.1478  C     
10   C        19.0388   13.1476  113.8450  C     
11   C        18.1907   12.2590  113.1637  C     
12   C        21.0036   14.6632  107.2796  C     
13   C        23.3576   14.2117  106.6624  C     
14   C        23.3106   15.1892  105.6598  C     
15   C        22.1267   15.9028  105.4402  C     
16   C        20.9950   15.6384  106.2338  C     
17   C        22.2255   13.9479  107.4592  C     
18   F        22.3960   13.0397  108.3809  F     
19   F        22.0793   16.8149  104.5032  F     
20   C        16.7684   15.5807  109.6792  C     
21   C        18.3024   13.6504  109.5991  C     
22   C        15.5177   17.0357  108.0856  C     
23   C        15.2153   17.3509  110.5754  C     
24   C        16.2622   16.9745  109.4602  C     
25   C        17.3571   18.1091  109.4734  C     
26   N        18.2154   18.1061  110.6628  N     
27   H        19.3959   16.3829  108.7814  H     
28   H        18.3888   15.8221  107.4016  H     
29   H        19.9509   12.5576  108.8458  H     
30   H        17.3277   11.7650  111.3122  H     
31   H        19.8567   15.1559  111.2823  H     
32   H        20.2548   14.8624  113.6446  H     
33   H        19.2107   13.0262  114.8401  H     
34   H        17.7420   11.4916  113.6712  H     
35   H        24.2276   13.7026  106.8210  H     
36   H        24.1437   15.3885  105.1036  H     
37   H        20.1554   16.1905  106.0248  H     
38   H        17.5405   12.9437  109.2418  H     
39   H        16.1979   16.8280  107.2604  H     
40   H        15.0948   18.0301  107.9248  H     
41   H        14.7005   16.3113  108.0497  H     
42   H        14.3343   16.6988  110.5467  H     
43   H        14.8567   18.3785  110.4656  H     
44   H        15.6656   17.2507  111.5699  H     
45   H        17.9903   18.0544  108.5867  H     
46   H        16.8781   19.0912  109.4377  H     
47   H        17.6591   18.3765  111.4738  H     
48   H        18.9642   18.7855  110.5303  H     
49   H        18.6172   17.1834  110.8178  H     
@<TRIPOS>BOND
     1    1   20 2
     2    2    3 1
     3    2    4 2
     4    2   12 1
     5    3    5 1
     6    4   21 1
     7    5   20 am
     8    5   21 1
     9    6    7 2
    10    6    8 1
    11   21    6 1
    12    7   11 1
    13    8    9 2
    14    9   10 1
    15   10   11 2
    16   12   16 2
    17   12   17 1
    18   13   14 1
    19   13   17 2
    20   14   15 2
    21   15   16 1
    22   15   19 1
    23   17   18 1
    24   20   24 1
    25   22   24 1
    26   23   24 1
    27   24   25 1
    28   25   26 1
    29    3   27 1
    30    3   28 1
    31    4   29 1
    32    7   30 1
    33    8   31 1
    34    9   32 1
    35   10   33 1
    36   11   34 1
    37   13   35 1
    38   14   36 1
    39   16   37 1
    40   21   38 1
    41   22   39 1
    42   22   40 1
    43   22   41 1
    44   23   42 1
    45   23   43 1
    46   23   44 1
    47   25   45 1
    48   25   46 1
    49   26   47 1
    50   26   48 1
    51   26   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4882
  Crash		| -1.5402
  Polar		| 0.0027
  FragIndex	| 1
  FragRMSD	| 0.292