@<TRIPOS>MOLECULE
BindingDB_14291
 57 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.5914   21.7332   76.8851  C     
2    C        16.4690   20.8787   76.9372  C     
3    C        17.4956   22.0563   79.3211  C     
4    C        16.3841   21.1962   79.3511  C     
5    C        15.8670   20.6226   78.1904  C     
6    C        14.6955   19.9730   79.9009  C     
7    N        14.8424   19.8634   78.5566  N     
8    N        15.6486   20.7900   80.3912  N     
9    C        13.6660   19.3607   80.7530  C     
10   C        14.1073   18.1204   81.6094  C     
11   C        15.5441   17.7261   81.6193  C     
12   C        16.0665   16.8137   80.6701  C     
13   C        16.3997   18.1733   82.6634  C     
14   C        17.7277   17.7185   82.7526  C     
15   C        18.2552   16.8011   81.8135  C     
16   C        17.3947   16.3505   80.7775  C     
17   C        19.6474   16.2911   81.9192  C     
18   C        20.7573   17.3207   82.2673  C     
19   S        19.8733   14.9733   83.1321  S     
20   O        19.8189   13.5798   82.3647  O     
21   O        19.1048   15.1168   84.5214  O     
22   N        21.4601   15.4047   83.4307  N     
23   C        21.7933   16.5843   82.9589  C     
24   O        22.9487   16.9791   83.0556  O     
25   N        12.4754   19.0605   80.0075  N     
26   C        11.2169   19.4124   80.3697  C     
27   C         8.7273   19.6912   80.6870  C     
28   C         9.5417   20.3254   81.6346  C     
29   C         7.3318   19.7426   80.7551  C     
30   C         6.7335   20.4656   81.8072  C     
31   C         7.5365   21.1067   82.7744  C     
32   N        10.8739   20.1600   81.4455  N     
33   S         9.7724   18.9055   79.5777  S     
34   C         8.9461   21.0420   82.6907  C     
35   C        18.1140   22.3207   78.0657  C     
36   C        19.1677   23.0812   78.0058  C     
37   N        20.1140   23.7273   77.9470  N     
38   H        18.0234   21.9294   75.9734  H     
39   H        16.0938   20.4564   76.0840  H     
40   H        17.8560   22.4499   80.1912  H     
41   H        14.2847   19.3314   77.9762  H     
42   H        13.4282   20.1587   81.4647  H     
43   H        13.7664   18.2927   82.6490  H     
44   H        13.5503   17.2317   81.2929  H     
45   H        15.4659   16.4754   79.9105  H     
46   H        16.0583   18.8250   83.3813  H     
47   H        18.3173   18.0634   83.5157  H     
48   H        17.7140   15.6575   80.1016  H     
49   H        19.9331   15.8286   80.9726  H     
50   H        21.1543   17.7649   81.3475  H     
51   H        20.4042   18.1189   82.9292  H     
52   H        22.1051   14.8149   83.8530  H     
53   H        12.5647   18.4767   79.2277  H     
54   H         6.7601   19.2542   80.0617  H     
55   H         5.7139   20.5145   81.8742  H     
56   H         7.0906   21.6141   83.5454  H     
57   H         9.5175   21.5074   83.3970  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   35 2
     3    2    5 2
     4    3    4 2
     5    3   35 1
     6    4    5 1
     7    4    8 1
     8    5    7 1
     9    6    7 1
    10    6    8 2
    11    6    9 1
    12    9   10 1
    13    9   25 1
    14   10   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 1
    23   17   19 1
    24   18   23 1
    25   19   20 2
    26   19   21 2
    27   19   22 1
    28   22   23 1
    29   23   24 2
    30   25   26 1
    31   26   32 2
    32   26   33 1
    33   27   28 2
    34   27   29 1
    35   27   33 1
    36   28   32 1
    37   28   34 1
    38   29   30 2
    39   30   31 1
    40   31   34 2
    41   35   36 1
    42   36   37 3
    43    1   38 1
    44    2   39 1
    45    3   40 1
    46    7   41 1
    47    9   42 1
    48   10   43 1
    49   10   44 1
    50   12   45 1
    51   13   46 1
    52   14   47 1
    53   16   48 1
    54   17   49 1
    55   18   50 1
    56   18   51 1
    57   22   52 1
    58   25   53 1
    59   29   54 1
    60   30   55 1
    61   31   56 1
    62   34   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0673
  Crash		| -2.3727
  Polar		| 5.5268
  FragIndex	| 1
  FragRMSD	| 1.064