@<TRIPOS>MOLECULE
BindingDB_7769
 42 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.7846   15.0247   15.6664  C     
2    C        27.5100   13.4520   13.8034  C     
3    C        26.7969   13.4227   12.6323  C     
4    C        27.2373   14.6818   14.4146  C     
5    N        26.4224   15.3638   13.5973  N     
6    C        26.1774   14.6302   12.5345  C     
7    O        25.4308   15.0087   11.6409  O     
8    N        26.1536   12.2912   10.7174  N     
9    C        26.0996   11.1398   10.0090  C     
10   C        25.7154    8.6859    8.5825  C     
11   C        26.7993    8.8374    9.4860  C     
12   C        26.9987   10.0520   10.1784  C     
13   C        25.0306   10.9859    9.0985  C     
14   C        24.8465    9.7834    8.3956  C     
15   C        28.6267   14.0995   16.3160  C     
16   C        28.9124   12.8692   15.6865  C     
17   C        29.8284   10.9037   15.3257  C     
18   C        28.3535   12.5268   14.4474  C     
19   S        28.8697   10.9685   13.9046  S     
20   N        29.7533   11.9287   16.1427  N     
21   C        25.4839    7.4082    7.8720  C     
22   O        26.0221    6.4287    5.2992  O     
23   S        26.7067    7.0631    6.5879  S     
24   O        27.3608    8.4328    6.1020  O     
25   N        27.9775    6.0632    7.0744  N     
26   C        28.0302    4.6704    6.7513  C     
27   N        26.7946   12.4420   11.8019  N     
28   H        27.5858   15.9322   16.0839  H     
29   H        26.0783   16.2612   13.7663  H     
30   H        25.6610   13.0452   10.3801  H     
31   H        27.4662    8.0796    9.6331  H     
32   H        27.7995   10.1446   10.8136  H     
33   H        24.3688   11.7538    8.9397  H     
34   H        24.0508    9.7036    7.7607  H     
35   H        29.0443   14.3292   17.2170  H     
36   H        30.4211   10.1289   15.5159  H     
37   H        25.4837    6.5770    8.5822  H     
38   H        24.5138    7.4060    7.3819  H     
39   H        28.8181    6.4866    7.3631  H     
40   H        27.1806    4.1605    7.1921  H     
41   H        28.9518    4.2595    7.1576  H     
42   H        28.0254    4.5410    5.6585  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   15 1
     3    2    3 1
     4    2    4 1
     5    2   18 2
     6    3    6 1
     7    3   27 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   27 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   21 1
    18   11   12 1
    19   13   14 2
    20   15   16 2
    21   16   18 1
    22   16   20 1
    23   17   19 1
    24   17   20 2
    25   18   19 1
    26   21   23 1
    27   22   23 2
    28   23   24 2
    29   23   25 1
    30   25   26 1
    31    1   28 1
    32    5   29 1
    33    8   30 1
    34   11   31 1
    35   12   32 1
    36   13   33 1
    37   14   34 1
    38   15   35 1
    39   17   36 1
    40   21   37 1
    41   21   38 1
    42   25   39 1
    43   26   40 1
    44   26   41 1
    45   26   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.1035
  Crash		| -0.4546
  Polar		| 5.1077
  FragIndex	| 1
  FragRMSD	| 0.221