@<TRIPOS>MOLECULE
BindingDB_7766
 38 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -15.8612  206.6863  109.9873  C     
2    C       -13.8444  206.9254  111.3886  C     
3    C       -12.5380  207.3371  111.1589  C     
4    C       -14.4991  207.0068  110.1537  C     
5    N       -13.6114  207.4107  109.2448  N     
6    C       -12.4499  207.5933  109.8249  C     
7    O       -11.4861  208.0112  109.1951  O     
8    N       -10.3067  207.8476  111.7902  N     
9    C        -9.3242  208.2953  112.6172  C     
10   C        -7.1556  209.3321  114.1719  C     
11   C        -6.9900  209.0562  112.7986  C     
12   C        -8.0588  208.5464  112.0376  C     
13   C        -9.4845  208.5693  113.9967  C     
14   C        -8.4144  209.0913  114.7612  C     
15   O        -4.4430  210.0314  114.3892  O     
16   O        -6.2466  211.5849  115.2778  O     
17   C       -16.5859  206.2201  111.1032  C     
18   C       -11.5624  207.5164  112.0814  C     
19   C       -15.9366  206.1079  112.3486  C     
20   C       -15.6424  205.6681  114.4811  C     
21   C       -14.5866  206.4628  112.5068  C     
22   S       -14.0635  206.2137  114.1431  S     
23   N       -16.4891  205.6609  113.4818  N     
24   S        -5.8615  210.0509  115.1129  S     
25   C        -5.6982  209.3453  116.7682  C     
26   H       -16.3154  206.7795  109.0763  H     
27   H       -13.8071  207.5444  108.3004  H     
28   H       -10.0463  207.7745  110.8614  H     
29   H        -6.0952  209.2444  112.3398  H     
30   H        -7.9078  208.3689  111.0361  H     
31   H       -10.3863  208.4178  114.4541  H     
32   H        -8.5667  209.3151  115.7529  H     
33   H       -17.5683  205.9632  111.0116  H     
34   H       -11.7873  207.3896  113.0330  H     
35   H       -15.9036  205.3685  115.3901  H     
36   H        -6.6070  209.5256  117.3412  H     
37   H        -4.8541  209.8147  117.2720  H     
38   H        -5.5219  208.2732  116.6928  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   17 1
     3    2    3 1
     4    2    4 1
     5    2   21 2
     6    3    6 1
     7    3   18 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   18 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   24 1
    18   11   12 1
    19   13   14 2
    20   15   24 2
    21   16   24 2
    22   17   19 2
    23   19   21 1
    24   19   23 1
    25   20   22 1
    26   20   23 2
    27   21   22 1
    28   24   25 1
    29    1   26 1
    30    5   27 1
    31    8   28 1
    32   11   29 1
    33   12   30 1
    34   13   31 1
    35   14   32 1
    36   17   33 1
    37   18   34 1
    38   20   35 1
    39   25   36 1
    40   25   37 1
    41   25   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4909
  Crash		| -0.3899
  Polar		| 4.7023
  FragIndex	| 1
  FragRMSD	| 0.082