@<TRIPOS>MOLECULE
BindingDB_7732
 39 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.8351   50.0667   14.6186  C     
2    C        -7.1075   50.6365   15.6843  C     
3    C        -8.2229   52.7799   15.3362  C     
4    C        -8.7480   50.8740   13.9065  C     
5    C        -9.5429   50.6590   12.8014  C     
6    C        -8.9463   52.1997   14.2883  C     
7    N        -9.8577   52.7264   13.4704  N     
8    C       -10.2164   51.8170   12.5888  C     
9    O       -11.0676   52.0342   11.7424  O     
10   N       -10.2652   49.3754   10.9529  N     
11   C       -10.1516   48.4025   10.0137  C     
12   C       -10.0748   46.4028    7.9866  C     
13   C        -9.0586   46.4704    8.9566  C     
14   C        -9.0953   47.4568    9.9643  C     
15   C       -11.1547   48.3319    9.0263  C     
16   C       -11.1249   47.3413    8.0254  C     
17   O       -11.3594   45.0787    5.9270  O     
18   S        -9.9884   45.2038    6.7255  S     
19   O        -8.8556   45.7596    5.7600  O     
20   N        -9.4923   43.7067    7.3073  N     
21   C        -7.2706   52.0019   16.0334  C     
22   C        -6.4342   52.6020   17.0960  C     
23   O        -6.8119   52.1025   18.3708  O     
24   C        -9.5316   49.5365   12.0472  C     
25   H        -7.6913   49.0878   14.3666  H     
26   H        -6.4307   50.0539   16.1855  H     
27   H        -8.3773   53.7640   15.5584  H     
28   H       -10.2152   53.6241   13.5328  H     
29   H       -10.9819   50.0135   10.8037  H     
30   H        -8.2796   45.8051    8.9283  H     
31   H        -8.3280   47.4825   10.6405  H     
32   H       -11.9278   49.0050    9.0395  H     
33   H       -11.8733   47.3247    7.3285  H     
34   H        -9.1983   43.0193    6.6862  H     
35   H        -9.4986   43.5231    8.2616  H     
36   H        -5.3856   52.3600   16.9099  H     
37   H        -6.5261   53.6884   17.1118  H     
38   H        -5.9857   51.7478   18.7524  H     
39   H        -8.9334   48.7976   12.3246  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 2
     3    2   21 2
     4    3    6 2
     5    3   21 1
     6    4    5 1
     7    4    6 1
     8    5    8 1
     9    5   24 2
    10    6    7 1
    11    7    8 1
    12    8    9 2
    13   10   11 1
    14   10   24 1
    15   11   14 2
    16   11   15 1
    17   12   13 2
    18   12   16 1
    19   12   18 1
    20   13   14 1
    21   15   16 2
    22   17   18 2
    23   18   19 2
    24   18   20 am
    25   21   22 1
    26   22   23 1
    27    1   25 1
    28    2   26 1
    29    3   27 1
    30    7   28 1
    31   10   29 1
    32   13   30 1
    33   14   31 1
    34   15   32 1
    35   16   33 1
    36   20   34 1
    37   20   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   24   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6811
  Crash		| -1.7538
  Polar		| 4.1514
  FragIndex	| 1
  FragRMSD	| 0.505