@<TRIPOS>MOLECULE
BindingDB_16663
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.8675    5.3709   10.7890  C     
2    C        18.8898    4.4200   10.9720  C     
3    C        18.7396    3.3927   11.9211  C     
4    C        17.5595    3.2680   12.6988  C     
5    C        16.5505    4.2459   12.5138  C     
6    C        16.7007    5.2802   11.5717  C     
7    S        18.0332    6.6353    9.6030  S     
8    O        17.4620    6.0168    8.2531  O     
9    O        17.1346    7.9145    9.8949  O     
10   N        19.6193    7.0897    9.2733  N     
11   C        17.4959    2.1385   13.6800  C     
12   C        16.1466    1.5435   14.1901  C     
13   N        16.0286    1.4539   15.6136  N     
14   C        15.8912    4.2386   15.9570  C     
15   C        17.2713    4.4903   15.8324  C     
16   C        17.7246    5.6436   15.1736  C     
17   C        16.8057    6.5752   14.6335  C     
18   C        15.4241    6.3513   14.8321  C     
19   C        14.9664    5.1876   15.4790  C     
20   S        15.3785    2.6930   16.5589  S     
21   O        13.8172    2.5357   16.8138  O     
22   O        16.0775    2.5346   17.9764  O     
23   N        17.1591    7.6995   13.9395  N     
24   C        18.3807    9.2581   12.6192  C     
25   C        18.2649    7.9638   13.2533  C     
26   O        19.1658    7.1492   13.0936  O     
27   H        19.7489    4.4672   10.4186  H     
28   H        19.5051    2.7206   12.0331  H     
29   H        15.7003    4.2426   13.0718  H     
30   H        15.9540    5.9703   11.4651  H     
31   H        19.9809    6.9782    8.3789  H     
32   H        20.1678    7.4811    9.9714  H     
33   H        18.0410    1.3039   13.2270  H     
34   H        18.0787    2.4559   14.5439  H     
35   H        15.2980    2.0791   13.7847  H     
36   H        16.0573    0.5244   13.8135  H     
37   H        16.4866    0.7281   16.0745  H     
38   H        17.9578    3.8194   16.1881  H     
39   H        18.7315    5.7896   15.0972  H     
40   H        14.7362    7.0146   14.4639  H     
41   H        13.9611    5.0225   15.5618  H     
42   H        16.4741    8.3859   13.8917  H     
43   H        17.5247    9.4341   11.9671  H     
44   H        19.2905    9.3350   12.0204  H     
45   H        18.4075   10.0361   13.3830  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    7    8 2
    10    7    9 2
    11    7   10 am
    12   11   12 1
    13   12   13 1
    14   13   20 1
    15   14   15 2
    16   14   19 1
    17   14   20 1
    18   15   16 1
    19   16   17 2
    20   17   18 1
    21   17   23 1
    22   18   19 2
    23   20   21 2
    24   20   22 2
    25   23   25 am
    26   24   25 1
    27   25   26 2
    28    2   27 1
    29    3   28 1
    30    5   29 1
    31    6   30 1
    32   10   31 1
    33   10   32 1
    34   11   33 1
    35   11   34 1
    36   12   35 1
    37   12   36 1
    38   13   37 1
    39   15   38 1
    40   16   39 1
    41   18   40 1
    42   19   41 1
    43   23   42 1
    44   24   43 1
    45   24   44 1
    46   24   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.8880
  Crash		| -4.0423
  Polar		| 2.1383
  FragIndex	| 1
  FragRMSD	| 0.801