@<TRIPOS>MOLECULE
BindingDB_10885
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2352    4.1037   14.1281  C     
2    C        -3.4870    5.4480   13.3589  C     
3    S        -5.5860    6.1560   14.8152  S     
4    O        -5.9040    6.9416   16.1627  O     
5    O        -6.7419    6.3252   13.7358  O     
6    N        -4.0542    6.4864   14.1792  N     
7    C        -3.3620    7.7044   14.5387  C     
8    C        -2.5407    7.5788   15.8546  C     
9    C        -1.7657    8.8587   16.3090  C     
10   O        -1.7309    9.9250   15.3339  O     
11   C        -0.5298   10.7163   15.2937  C     
12   N        -2.8746    2.9808   13.2135  N     
13   C        -1.8219    3.1824   12.1909  C     
14   C        -1.3884    1.8456   11.5593  C     
15   C        -4.3916    3.6717   14.9783  C     
16   C        -4.4877    2.4162   15.6257  C     
17   C        -5.4814    4.5012   15.2772  C     
18   S        -6.5804    3.6692   16.2972  S     
19   C        -5.6511    2.2303   16.3784  C     
20   S        -6.1073    0.8116   17.2599  S     
21   O        -5.9515   -0.4887   16.3609  O     
22   O        -5.0964    0.6398   18.4768  O     
23   N        -7.6520    0.8808   17.9040  N     
24   H        -2.3953    4.2596   14.8104  H     
25   H        -2.5550    5.7879   12.9090  H     
26   H        -4.1792    5.2565   12.5341  H     
27   H        -2.6882    8.0089   13.7316  H     
28   H        -4.0937    8.5094   14.6535  H     
29   H        -3.2294    7.2946   16.6575  H     
30   H        -1.8293    6.7557   15.7384  H     
31   H        -2.2826    9.2723   17.1759  H     
32   H        -0.7612    8.5886   16.6576  H     
33   H        -0.3905   11.2579   16.2356  H     
34   H        -0.6190   11.4535   14.4939  H     
35   H         0.3458   10.0940   15.0946  H     
36   H        -2.5565    2.2183   13.8109  H     
37   H        -3.7192    2.6701   12.7266  H     
38   H        -2.2189    3.8193   11.3979  H     
39   H        -0.9504    3.6680   12.6316  H     
40   H        -0.8791    1.2320   12.3032  H     
41   H        -0.7021    2.0302   10.7322  H     
42   H        -2.2547    1.3016   11.1806  H     
43   H        -3.7696    1.6927   15.5568  H     
44   H        -7.7667    0.8239   18.8665  H     
45   H        -8.3714    1.2380   17.3565  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   12 1
     3    1   15 1
     4    2    6 1
     5    3    4 2
     6    3    5 2
     7    3    6 1
     8    3   17 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13   10   11 1
    14   12   13 1
    15   13   14 1
    16   15   16 1
    17   15   17 2
    18   16   19 2
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   20   21 2
    23   20   22 2
    24   20   23 am
    25    1   24 1
    26    2   25 1
    27    2   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31    8   30 1
    32    9   31 1
    33    9   32 1
    34   11   33 1
    35   11   34 1
    36   11   35 1
    37   12   36 1
    38   12   37 1
    39   13   38 1
    40   13   39 1
    41   14   40 1
    42   14   41 1
    43   14   42 1
    44   16   43 1
    45   23   44 1
    46   23   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4239
  Crash		| -2.1072
  Polar		| 3.2844
  FragIndex	| 1
  FragRMSD	| 0.877