@<TRIPOS>MOLECULE
BindingDB_7687
 41 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.7436   49.3356   14.3561  C     
2    C        -7.0295   49.6053   15.5468  C     
3    C        -7.3015   50.8133   16.2401  C     
4    C        -8.2346   51.7494   15.7376  C     
5    C        -8.6869   50.2587   13.8658  C     
6    C        -9.5287   50.2277   12.7792  C     
7    C        -8.9190   51.4529   14.5436  C     
8    N        -9.8447   52.1217   13.8412  N     
9    C       -10.2092   51.3962   12.8023  C     
10   O       -11.0093   51.7886   11.9642  O     
11   N       -10.4653   49.0939   10.9103  N     
12   C       -10.4588   48.1501    9.9258  C     
13   C       -10.5794   46.3016    7.7555  C     
14   C       -11.6291   47.2206    7.9779  C     
15   C       -11.5618   48.1409    9.0400  C     
16   C        -9.4296   47.1866    9.7196  C     
17   C        -9.4846   46.2790    8.6463  C     
18   O        -9.1960   45.5975    5.5749  O     
19   S       -10.5487   45.2790    6.3486  S     
20   O       -10.5523   43.7616    6.8268  O     
21   N       -11.8381   45.5700    5.3086  N     
22   C        -6.0896   48.6616   16.0264  C     
23   C        -4.8956   47.4012   17.3368  C     
24   C        -5.3018   47.7947   15.2647  C     
25   O        -5.8212   48.3916   17.3246  O     
26   N        -4.5745   47.0318   16.0881  N     
27   C        -9.6108   49.1925   11.9242  C     
28   H        -7.5956   48.4538   13.8604  H     
29   H        -6.8042   51.0295   17.1074  H     
30   H        -8.4094   52.6293   16.2271  H     
31   H       -10.1783   53.0132   14.0476  H     
32   H       -11.1880   49.7406   10.8760  H     
33   H       -12.4454   47.2419    7.3631  H     
34   H       -12.3313   48.8105    9.1667  H     
35   H        -8.6038   47.1512   10.3198  H     
36   H        -8.7055   45.6221    8.5013  H     
37   H       -11.9472   44.9929    4.5367  H     
38   H       -12.2330   46.4568    5.2927  H     
39   H        -4.5049   46.9824   18.1817  H     
40   H        -5.2619   47.7407   14.2445  H     
41   H        -9.0101   48.4284   12.0913  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    2   22 1
     5    3    4 1
     6    4    7 2
     7    5    6 1
     8    5    7 1
     9    6    9 1
    10    6   27 2
    11    7    8 1
    12    8    9 1
    13    9   10 2
    14   11   12 1
    15   11   27 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   22   24 2
    27   22   25 1
    28   23   25 1
    29   23   26 2
    30   24   26 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   23   39 1
    43   24   40 1
    44   27   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9048
  Crash		| -1.6644
  Polar		| 4.5644
  FragIndex	| 1
  FragRMSD	| 0.507