@<TRIPOS>MOLECULE
BindingDB_24063
 45 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        15.8570   14.6047  110.3358  O     
2    C        19.7039   14.5021  108.0273  C     
3    C        18.5525   15.3774  108.1466  C     
4    C        19.5058   13.4545  108.8360  C     
5    N        17.7028   14.7627  109.1223  N     
6    C        18.4824   13.4360  111.0485  C     
7    C        19.2592   14.4004  111.7402  C     
8    C        17.8634   12.4062  111.7965  C     
9    C        17.9864   12.3640  113.1984  C     
10   C        18.7506   13.3337  113.8714  C     
11   C        19.3845   14.3531  113.1411  C     
12   C        20.8129   14.7499  107.1801  C     
13   C        23.1730   14.4500  106.5114  C     
14   C        23.0124   15.3497  105.4460  C     
15   C        21.7701   15.9613  105.2380  C     
16   C        20.6893   15.6576  106.0866  C     
17   C        22.0961   14.1614  107.3754  C     
18   F        22.3754   13.3823  108.3883  F     
19   F        21.6242   16.8219  104.2706  F     
20   C        16.5125   15.2447  109.5204  C     
21   C        18.2704   13.5187  109.5666  C     
22   C        15.9194   16.5094  109.0863  C     
23   O        14.5833   16.3073  108.6322  O     
24   C        15.9157   17.5391  110.2449  C     
25   C        17.1398   18.4485  110.4354  C     
26   C        15.8297   19.0372  109.8944  C     
27   H        18.8782   16.3687  108.4743  H     
28   H        18.0233   15.4357  107.1914  H     
29   H        20.1040   12.6648  108.8985  H     
30   H        19.7179   15.1602  111.2265  H     
31   H        17.2954   11.6948  111.3315  H     
32   H        17.5152   11.6276  113.7291  H     
33   H        18.8298   13.3027  114.8867  H     
34   H        19.9379   15.0578  113.6294  H     
35   H        24.0918   14.0260  106.6635  H     
36   H        23.8014   15.5651  104.8323  H     
37   H        19.7978   16.1191  105.8860  H     
38   H        17.6341   12.6994  109.2101  H     
39   H        16.4532   16.9262  108.2272  H     
40   H        14.0686   16.0510  109.4330  H     
41   H        15.3975   17.2728  111.1727  H     
42   H        17.3780   18.7281  111.4645  H     
43   H        17.9446   18.3849  109.7024  H     
44   H        15.8510   19.2987  108.8308  H     
45   H        15.2696   19.6608  110.5885  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   22 1
    25   22   23 1
    26   22   24 1
    27   24   25 1
    28   24   26 1
    29   25   26 1
    30    3   27 1
    31    3   28 1
    32    4   29 1
    33    7   30 1
    34    8   31 1
    35    9   32 1
    36   10   33 1
    37   11   34 1
    38   13   35 1
    39   14   36 1
    40   16   37 1
    41   21   38 1
    42   22   39 1
    43   23   40 1
    44   24   41 1
    45   25   42 1
    46   25   43 1
    47   26   44 1
    48   26   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7334
  Crash		| -1.0555
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.099