@<TRIPOS>MOLECULE
BindingDB_10017
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.8288   31.5685   20.2808  C     
2    C        19.5100   30.2538   20.6666  C     
3    C        19.9032   29.1555   19.8759  C     
4    C        20.6266   29.3962   18.6896  C     
5    C        20.9536   30.7095   18.3085  C     
6    C        20.5858   31.8136   19.1094  C     
7    C        21.0146   33.1892   18.7248  C     
8    O        19.5574   27.9196   20.3380  O     
9    N        18.7214   25.3073   20.2292  N     
10   S        19.9119   26.3752   19.7390  S     
11   O        20.0652   26.3431   18.0623  O     
12   O        21.3691   25.9112   20.4566  O     
13   N        22.4533   33.3836   18.8917  N     
14   C        23.1080   33.3439   20.1133  C     
15   C        22.4035   33.2738   21.3463  C     
16   C        23.0556   33.1814   22.5879  C     
17   C        24.4592   33.1860   22.6514  C     
18   C        25.1948   33.2997   21.4553  C     
19   C        24.5299   33.3760   20.2165  C     
20   C        25.0564   33.1170   23.8072  C     
21   N        25.5683   33.0621   24.8337  N     
22   C        23.0865   34.5451   16.8894  C     
23   C        23.9500   32.6086   17.2096  C     
24   N        23.1358   33.5216   17.7630  N     
25   N        24.3981   33.0855   16.0378  N     
26   N        23.8691   34.2556   15.8399  N     
27   H        19.5266   32.3425   20.8776  H     
28   H        18.9969   30.0939   21.5362  H     
29   H        20.9299   28.6247   18.0965  H     
30   H        21.4690   30.8516   17.4394  H     
31   H        20.7036   33.3277   17.6839  H     
32   H        20.4796   33.9584   19.2882  H     
33   H        18.1232   24.9364   19.5631  H     
34   H        18.5366   25.1887   21.1731  H     
35   H        21.3881   33.3115   21.3720  H     
36   H        22.4899   33.1208   23.4404  H     
37   H        26.2187   33.3196   21.4713  H     
38   H        25.1205   33.4452   19.3805  H     
39   H        22.5363   35.4025   16.9925  H     
40   H        24.2087   31.7145   17.6438  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    8 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7   13 1
    10    8   10 1
    11    9   10 am
    12   10   11 2
    13   10   12 2
    14   13   14 1
    15   13   24 1
    16   14   15 2
    17   14   19 1
    18   15   16 1
    19   16   17 2
    20   17   18 1
    21   17   20 1
    22   18   19 2
    23   20   21 3
    24   22   24 1
    25   22   26 2
    26   23   24 1
    27   23   25 2
    28   25   26 1
    29    1   27 1
    30    2   28 1
    31    4   29 1
    32    5   30 1
    33    7   31 1
    34    7   32 1
    35    9   33 1
    36    9   34 1
    37   15   35 1
    38   16   36 1
    39   18   37 1
    40   19   38 1
    41   22   39 1
    42   23   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9546
  Crash		| -1.7216
  Polar		| 2.9943
  FragIndex	| 1
  FragRMSD	| 0.840