@<TRIPOS>MOLECULE
BindingDB_7747
 40 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.6025   15.6011   14.9694  C     
2    C        27.2468   13.5782   13.6076  C     
3    C        26.4437   13.2519   12.5268  C     
4    C        26.9549   14.9120   13.9241  C     
5    N        26.0015   15.3295   13.0938  N     
6    C        25.6835   14.3474   12.2803  C     
7    O        24.7549   14.4384   11.4933  O     
8    N        25.7982   11.7898   10.7282  N     
9    C        25.9859   10.7208    9.8936  C     
10   C        26.3255    8.6133    7.9844  C     
11   C        27.2558    8.7817    9.0314  C     
12   C        27.0896    9.8189    9.9713  C     
13   C        25.0551   10.5235    8.8533  C     
14   C        25.2146    9.4812    7.9140  C     
15   O        25.4010    6.9064    5.9701  O     
16   S        26.6922    7.5092    6.6885  S     
17   O        27.3724    8.4143    5.5612  O     
18   C        28.5830   14.9204   15.7244  C     
19   C        26.5061   12.1017   11.8178  C     
20   N        27.8362    6.3203    7.0071  N     
21   C        27.5248    4.9317    6.9290  C     
22   C        28.8725   13.5728   15.4258  C     
23   C        29.7978   11.5931   15.6016  C     
24   C        28.2182   12.8932   14.3856  C     
25   S        28.7597   11.2444   14.2896  S     
26   N        29.7526   12.8143   16.0846  N     
27   H        27.3674   16.5655   15.1711  H     
28   H        25.5780   16.1993   13.1256  H     
29   H        25.0596   12.3831   10.4984  H     
30   H        28.0713    8.1836    9.0992  H     
31   H        27.8144    9.9260   10.6825  H     
32   H        24.2513   11.1540    8.7629  H     
33   H        24.5384    9.3919    7.1462  H     
34   H        29.0673   15.3999   16.4862  H     
35   H        27.1344   11.4230   12.1436  H     
36   H        28.6324    6.5712    7.5017  H     
37   H        26.7192    4.6841    7.6260  H     
38   H        28.4084    4.3505    7.1908  H     
39   H        27.2185    4.6675    5.9136  H     
40   H        30.3955   10.9055   15.9807  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   18 1
     3    2    3 1
     4    2    4 1
     5    2   24 2
     6    3    6 1
     7    3   19 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   19 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   16 1
    18   11   12 1
    19   13   14 2
    20   15   16 2
    21   16   17 2
    22   16   20 1
    23   18   22 2
    24   20   21 1
    25   22   24 1
    26   22   26 1
    27   23   25 1
    28   23   26 2
    29   24   25 1
    30    1   27 1
    31    5   28 1
    32    8   29 1
    33   11   30 1
    34   12   31 1
    35   13   32 1
    36   14   33 1
    37   18   34 1
    38   19   35 1
    39   20   36 1
    40   21   37 1
    41   21   38 1
    42   21   39 1
    43   23   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6248
  Crash		| -1.0665
  Polar		| 3.9688
  FragIndex	| 1
  FragRMSD	| 0.993