@<TRIPOS>MOLECULE
BindingDB_13443
 51 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -10.3597   45.1506   50.8727  C     
2    C        -9.7045   46.1585   50.1520  C     
3    C       -10.4244   46.9570   49.2498  C     
4    C       -11.8228   46.7748   49.1080  C     
5    N        -9.7657   47.9182   48.5737  N     
6    O        -7.7678   46.9684   46.9799  O     
7    S        -9.2831   47.6952   46.9783  S     
8    O       -10.3568   46.7332   46.1092  O     
9    O        -9.0896   49.1948   46.2400  O     
10   C       -12.5007   45.7792   49.8580  C     
11   C       -11.7546   44.9570   50.7357  C     
12   C       -13.9719   45.5791   49.7200  C     
13   C       -12.4391   43.8711   51.4606  C     
14   C       -13.8955   44.2330   51.8509  C     
15   N       -14.6727   44.8127   50.7473  N     
16   C       -13.9564   45.0792   53.0460  C     
17   O       -14.3937   44.6108   54.0910  O     
18   N       -13.5647   46.3447   52.9984  N     
19   C       -13.6489   47.2838   54.0692  C     
20   C       -16.0281   44.6743   50.7289  C     
21   O       -16.5909   44.1701   51.6970  O     
22   C       -16.9633   45.2847   49.7728  C     
23   C       -18.1349   44.3938   49.2575  C     
24   C       -19.2904   45.2053   48.7496  C     
25   C       -19.4588   45.4970   47.3717  C     
26   C       -20.5391   46.2882   46.9407  C     
27   C       -21.4658   46.7876   47.8714  C     
28   C       -21.3133   46.5042   49.2377  C     
29   C       -20.2345   45.7204   49.6746  C     
30   H        -9.8104   44.5532   51.4958  H     
31   H        -8.6955   46.2896   50.2645  H     
32   H       -12.3486   47.3841   48.4644  H     
33   H        -9.2349   48.5594   49.1098  H     
34   H       -14.4256   46.5728   49.6617  H     
35   H       -14.1134   45.0807   48.7561  H     
36   H       -12.4588   43.0143   50.7899  H     
37   H       -11.8767   43.5727   52.3450  H     
38   H       -14.3306   43.2580   52.1043  H     
39   H       -13.2260   46.6820   52.1571  H     
40   H       -14.6868   47.3975   54.3977  H     
41   H       -13.2835   48.2530   53.7209  H     
42   H       -13.0342   46.9589   54.9120  H     
43   H       -17.3615   46.1957   50.2716  H     
44   H       -16.4348   45.6343   48.8732  H     
45   H       -17.7601   43.7488   48.4496  H     
46   H       -18.4991   43.7214   50.0237  H     
47   H       -18.7950   45.1366   46.6841  H     
48   H       -20.6485   46.4973   45.9543  H     
49   H       -22.2438   47.3697   47.5535  H     
50   H       -21.9861   46.8666   49.9129  H     
51   H       -20.1359   45.5220   50.6714  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   11 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    7 1
     8    6    7 1
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   12 1
    13   11   13 1
    14   12   15 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   15   20 am
    19   16   17 2
    20   16   18 am
    21   18   19 1
    22   20   21 2
    23   20   22 1
    24   22   23 1
    25   23   24 1
    26   24   25 2
    27   24   29 1
    28   25   26 1
    29   26   27 2
    30   27   28 1
    31   28   29 2
    32    1   30 1
    33    2   31 1
    34    4   32 1
    35    5   33 1
    36   12   34 1
    37   12   35 1
    38   13   36 1
    39   13   37 1
    40   14   38 1
    41   18   39 1
    42   19   40 1
    43   19   41 1
    44   19   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   23   46 1
    49   25   47 1
    50   26   48 1
    51   27   49 1
    52   28   50 1
    53   29   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 11.4884
  Crash		| -1.0948
  Polar		| 5.9064
  FragIndex	| 1
  FragRMSD	| 0.846