@<TRIPOS>MOLECULE
BindingDB_7772
 39 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.1360   15.1732   15.6302  C     
2    C        27.6105   13.4472   13.9538  C     
3    C        26.7648   13.3760   12.8588  C     
4    C        27.4453   14.7321   14.4866  C     
5    N        26.5580   15.3842   13.7331  N     
6    C        26.1545   14.5873   12.7716  C     
7    O        25.3933   14.9771   11.8981  O     
8    N        25.6248   12.2559   11.1151  N     
9    C        25.4458   11.3323   10.1336  C     
10   C        24.0262   10.6108    8.2591  C     
11   C        24.2936   11.4860    9.3280  C     
12   C        26.3291   10.2610    9.8474  C     
13   C        29.0192   14.2828   16.2728  C     
14   C        29.1903   12.9853   15.7497  C     
15   C        29.9484   10.9302   15.5624  C     
16   C        28.5037   12.5585   14.6039  C     
17   S        28.9101   10.9198   14.2067  S     
18   N        29.9895   12.0407   16.2593  N     
19   C        26.5811   12.3159   12.0484  C     
20   C        26.0756    9.3975    8.7633  C     
21   C        24.7665    8.6370    6.8451  C     
22   C        24.9336    9.5772    7.9617  C     
23   C        26.9567    8.2831    8.3989  C     
24   S        26.3423    7.7726    6.7892  S     
25   O        26.1991    6.1934    6.6682  O     
26   O        27.2767    8.4545    5.6978  O     
27   H        27.9953   16.1188   15.9897  H     
28   H        26.2711   16.3060   13.8573  H     
29   H        24.9530   12.9541   11.1483  H     
30   H        23.1847   10.7419    7.6930  H     
31   H        23.6361   12.2469    9.5106  H     
32   H        27.1751   10.1155   10.3997  H     
33   H        29.5271   14.5765   17.1103  H     
34   H        30.4854   10.1367   15.8138  H     
35   H        27.1515   11.5225   12.1833  H     
36   H        23.9502    7.9420    7.0490  H     
37   H        24.5950    9.1574    5.9014  H     
38   H        27.9914    8.6148    8.3173  H     
39   H        26.8714    7.4730    9.1253  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   13 1
     3    2    3 1
     4    2    4 1
     5    2   16 2
     6    3    6 1
     7    3   19 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   19 1
    13    9   11 2
    14    9   12 1
    15   10   11 1
    16   10   22 2
    17   12   20 2
    18   13   14 2
    19   14   16 1
    20   14   18 1
    21   15   17 1
    22   15   18 2
    23   16   17 1
    24   20   22 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   24   25 2
    30   24   26 2
    31    1   27 1
    32    5   28 1
    33    8   29 1
    34   10   30 1
    35   11   31 1
    36   12   32 1
    37   13   33 1
    38   15   34 1
    39   19   35 1
    40   21   36 1
    41   21   37 1
    42   23   38 1
    43   23   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8947
  Crash		| -0.8927
  Polar		| 2.8840
  FragIndex	| 1
  FragRMSD	| 0.296