@<TRIPOS>MOLECULE
BindingDB_7686
 40 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.6772   49.3798   14.0934  C     
2    C        -7.0297   49.5601   15.3477  C     
3    C        -7.3636   50.6927   16.1383  C     
4    C        -8.2957   51.6470   15.6843  C     
5    C        -8.6339   50.3189   13.6621  C     
6    C        -9.4839   50.3566   12.5881  C     
7    C        -8.9192   51.4422   14.4415  C     
8    N        -9.8726   52.1381   13.8026  N     
9    C       -10.2115   51.4903   12.7073  C     
10   O       -11.0225   51.9222   11.9002  O     
11   N       -10.5150   49.2826   10.8617  N     
12   C       -10.5145   48.3854    9.8464  C     
13   C       -10.6997   46.4653    7.7649  C     
14   C       -11.8671   47.0619    8.2830  C     
15   C       -11.7753   48.0191    9.3134  C     
16   C        -9.3486   47.7718    9.3364  C     
17   C        -9.4381   46.8280    8.2877  C     
18   O        -9.5140   45.1586    5.5782  O     
19   S       -10.8264   45.2972    6.4755  S     
20   O       -11.0677   43.8795    7.1564  O     
21   N       -12.1668   45.5540    5.4924  N     
22   N        -9.5944   49.4036   11.7291  N     
23   C        -6.1076   48.6093   15.8497  C     
24   C        -4.9726   47.3396   17.2009  C     
25   C        -5.2383   47.8038   15.1174  C     
26   O        -5.9189   48.3038   17.1556  O     
27   N        -4.5473   47.0296   15.9655  N     
28   H        -7.4947   48.5462   13.5256  H     
29   H        -6.9236   50.8357   17.0553  H     
30   H        -8.5243   52.4586   16.2611  H     
31   H       -10.2452   52.9878   14.0824  H     
32   H       -11.3330   49.7771   11.0074  H     
33   H       -12.7890   46.8112    7.9166  H     
34   H       -12.6425   48.4363    9.6681  H     
35   H        -8.4258   48.0208    9.7023  H     
36   H        -8.5801   46.4088    7.9195  H     
37   H       -12.8409   44.8639    5.4248  H     
38   H       -12.3950   46.4648    5.2373  H     
39   H        -4.6308   46.9020   18.0588  H     
40   H        -5.1154   47.8129   14.1002  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    2   23 1
     5    3    4 1
     6    4    7 2
     7    5    6 1
     8    5    7 1
     9    6    9 1
    10    6   22 2
    11    7    8 1
    12    8    9 1
    13    9   10 2
    14   11   12 1
    15   11   22 1
    16   12   15 2
    17   12   16 1
    18   13   14 2
    19   13   17 1
    20   13   19 1
    21   14   15 1
    22   16   17 2
    23   18   19 2
    24   19   20 2
    25   19   21 am
    26   23   25 2
    27   23   26 1
    28   24   26 1
    29   24   27 2
    30   25   27 1
    31    1   28 1
    32    3   29 1
    33    4   30 1
    34    8   31 1
    35   11   32 1
    36   14   33 1
    37   15   34 1
    38   16   35 1
    39   17   36 1
    40   21   37 1
    41   21   38 1
    42   24   39 1
    43   25   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3134
  Crash		| -0.7641
  Polar		| 3.8823
  FragIndex	| 1
  FragRMSD	| 0.256