@<TRIPOS>MOLECULE
BindingDB_11400
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3127    3.7521   14.7705  C     
2    C        -3.3242    4.9421   14.1150  C     
3    N        -4.4928    5.4516   13.6227  N     
4    S        -5.8927    5.3204   14.5794  S     
5    O        -6.0596    6.4065   15.7293  O     
6    O        -7.2313    5.1436   13.7343  O     
7    C        -4.4425    3.1352   15.2927  C     
8    C        -5.6831    3.7755   15.3127  C     
9    C        -4.4621    1.8764   15.9291  C     
10   C        -5.7080    1.5048   16.4459  C     
11   S        -6.8132    2.7838   16.1383  S     
12   N        -5.4318   -1.3004   16.5333  N     
13   S        -6.0873    0.0451   17.2963  S     
14   O        -5.3989    0.1931   18.7200  O     
15   O        -7.6656   -0.0800   17.4287  O     
16   C        -2.0265    5.5747   13.8168  C     
17   C        -4.6754    5.6620   12.2009  C     
18   C        -5.4353    6.9669   11.8648  C     
19   C        -0.6035    9.1095   13.2052  C     
20   C        -0.7155    7.5681   13.1416  C     
21   C        -1.8813    7.5998   15.3147  C     
22   C        -1.7284    9.1429   15.3213  C     
23   N        -1.9031    7.0693   13.9124  N     
24   O        -0.5719    9.5585   14.5729  O     
25   H        -2.4387    3.3177   14.9716  H     
26   H        -3.6320    1.2853   16.0205  H     
27   H        -5.4087   -2.1569   16.9963  H     
28   H        -4.9125   -1.1839   15.7214  H     
29   H        -1.2609    5.1491   14.4734  H     
30   H        -1.7708    5.2654   12.7980  H     
31   H        -3.7215    5.6817   11.6653  H     
32   H        -5.2279    4.8178   11.7780  H     
33   H        -6.4551    6.9324   12.2510  H     
34   H        -5.4840    7.0959   10.7820  H     
35   H        -4.9310    7.8307   12.2964  H     
36   H         0.3211    9.4265   12.7202  H     
37   H        -1.4401    9.5708   12.6701  H     
38   H        -0.7908    7.2740   12.0905  H     
39   H         0.2057    7.1472   13.5511  H     
40   H        -1.0544    7.1559   15.8810  H     
41   H        -2.8124    7.3608   15.8312  H     
42   H        -2.6224    9.6104   14.9018  H     
43   H        -1.6157    9.4922   16.3490  H     
44   H        -2.7239    7.4647   13.4545  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   23 1
    20   17   18 1
    21   19   20 1
    22   19   24 1
    23   20   23 1
    24   21   22 1
    25   21   23 1
    26   22   24 1
    27    1   25 1
    28    9   26 1
    29   12   27 1
    30   12   28 1
    31   16   29 1
    32   16   30 1
    33   17   31 1
    34   17   32 1
    35   18   33 1
    36   18   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
    44   22   42 1
    45   22   43 1
    46   23   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8925
  Crash		| -3.2005
  Polar		| 0.8750
  FragIndex	| 1
  FragRMSD	| 0.571