@<TRIPOS>MOLECULE
BindingDB_8046
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.8581   41.6027   11.6148  C     
2    C        12.3653   42.6259   13.6175  C     
3    C        13.3753   43.5312   13.2135  C     
4    N        12.1198   41.6096   12.7416  N     
5    C        12.7710   40.6679   10.4935  C     
6    C        11.5373   42.7238   14.8354  C     
7    S        13.9001   42.9532   11.6792  S     
8    C        13.9607   44.6857   13.7901  C     
9    C        13.5502   45.3088   14.9902  C     
10   C        14.2587   46.4386   15.4314  C     
11   C        15.6809   46.3490   13.5335  C     
12   N        15.0092   45.2455   13.1273  N     
13   N        15.2931   46.9234   14.7016  N     
14   N        16.7278   46.8786   12.8589  N     
15   C        17.3157   46.5011   11.6765  C     
16   C        17.4901   45.2567    9.5585  C     
17   C        16.8019   45.5585   10.7491  C     
18   C        18.5209   47.1617   11.3418  C     
19   C        19.2022   46.8741   10.1447  C     
20   C        18.7001   45.9102    9.2558  C     
21   F        19.3508   45.6313    8.1614  F     
22   H        12.9617   39.6583   10.8422  H     
23   H        13.5143   40.9225    9.7344  H     
24   H        11.7749   40.7227   10.0577  H     
25   H        12.1638   42.7080   15.7270  H     
26   H        10.8282   41.8953   14.9072  H     
27   H        10.9671   43.6513   14.8039  H     
28   H        12.7619   44.9874   15.5399  H     
29   H        13.9882   46.9052   16.2969  H     
30   H        17.1754   47.6054   13.3171  H     
31   H        17.1051   44.5662    8.9105  H     
32   H        15.9061   45.1002   10.9074  H     
33   H        18.9190   47.8607   11.9776  H     
34   H        20.0715   47.3639    9.9293  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 2
     5    2    4 1
     6    2    6 1
     7    3    7 1
     8    3    8 1
     9    8    9 1
    10    8   12 2
    11    9   10 2
    12   10   13 1
    13   11   12 1
    14   11   13 2
    15   11   14 1
    16   14   15 1
    17   15   17 1
    18   15   18 2
    19   16   17 2
    20   16   20 1
    21   18   19 1
    22   19   20 2
    23   20   21 1
    24    5   22 1
    25    5   23 1
    26    5   24 1
    27    6   25 1
    28    6   26 1
    29    6   27 1
    30    9   28 1
    31   10   29 1
    32   14   30 1
    33   16   31 1
    34   17   32 1
    35   18   33 1
    36   19   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2684
  Crash		| -3.5777
  Polar		| 1.8757
  FragIndex	| 1
  FragRMSD	| 0.107