@<TRIPOS>MOLECULE
BindingDB_5534
 45 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.9635   45.2563   50.9710  C     
2    C         7.6740   43.6270   49.3645  C     
3    N         8.9608   44.0542   49.4652  N     
4    N         6.7049   44.2369   50.1123  N     
5    C         8.2986   45.6699   51.0995  C     
6    C         9.2752   45.0528   50.3249  C     
7    C        10.1727   46.6381   51.5046  C     
8    N         8.8640   46.6488   51.8233  N     
9    N        10.4289   45.6728   50.6042  N     
10   O         6.0109   45.8994   51.7102  O     
11   N         7.3815   42.6304   48.4954  N     
12   C         4.7244   46.1639   51.1193  C     
13   C         3.6610   45.0633   51.4374  C     
14   C         1.7839   45.9045   53.6690  C     
15   C         3.2324   45.4423   53.9644  C     
16   C         3.7475   44.4648   52.8787  C     
17   C         2.2056   45.5613   51.1567  C     
18   C         1.6456   46.5160   52.2513  C     
19   C         6.1726   42.0210   48.3307  C     
20   C         4.1478   40.9924   49.2437  C     
21   C         3.6890   40.7364   47.9366  C     
22   C         4.4707   41.1055   46.8292  C     
23   C         5.7165   41.7353   47.0265  C     
24   C         5.3921   41.6191   49.4394  C     
25   Cl        3.9037   40.8094   45.2618  Cl    
26   Cl        3.2318   40.5643   50.5955  Cl    
27   H        10.8642   47.2827   51.8909  H     
28   H        11.2924   45.4797   50.2062  H     
29   H         8.0900   42.3477   47.8993  H     
30   H         4.4099   47.1143   51.5494  H     
31   H         4.7983   46.3073   50.0318  H     
32   H         3.8537   44.2331   50.7446  H     
33   H         1.1071   45.0497   53.7594  H     
34   H         1.4819   46.6468   54.4109  H     
35   H         3.8895   46.3124   54.0122  H     
36   H         3.2600   44.9482   54.9370  H     
37   H         3.1381   43.5556   52.9183  H     
38   H         4.7777   44.1729   53.1085  H     
39   H         2.1678   46.0586   50.1863  H     
40   H         1.5437   44.6939   51.0966  H     
41   H         0.5909   46.7125   52.0567  H     
42   H         2.1704   47.4742   52.2148  H     
43   H         2.7802   40.2849   47.7979  H     
44   H         6.2858   42.0000   46.2167  H     
45   H         5.7477   41.7580   50.3844  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   10 1
     4    2    3 1
     5    2    4 2
     6    2   11 1
     7    3    6 2
     8    5    6 1
     9    5    8 1
    10    6    9 1
    11    7    8 2
    12    7    9 1
    13   10   12 1
    14   11   19 1
    15   12   13 1
    16   13   16 1
    17   13   17 1
    18   14   15 1
    19   14   18 1
    20   15   16 1
    21   17   18 1
    22   19   23 1
    23   19   24 2
    24   20   21 2
    25   20   24 1
    26   20   26 1
    27   21   22 1
    28   22   23 2
    29   22   25 1
    30    7   27 1
    31    9   28 1
    32   11   29 1
    33   12   30 1
    34   12   31 1
    35   13   32 1
    36   14   33 1
    37   14   34 1
    38   15   35 1
    39   15   36 1
    40   16   37 1
    41   16   38 1
    42   17   39 1
    43   17   40 1
    44   18   41 1
    45   18   42 1
    46   21   43 1
    47   23   44 1
    48   24   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.7067
  Crash		| -1.1738
  Polar		| 2.9552
  FragIndex	| 1
  FragRMSD	| 0.509