@<TRIPOS>MOLECULE
BindingDB_11937
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3131    3.6141   13.5155  C     
2    C        -3.2557    4.9849   12.7535  C     
3    N        -3.8313    6.1203   13.4340  N     
4    S        -5.4270    5.9381   13.9612  S     
5    O        -5.8123    6.9189   15.1498  O     
6    O        -6.4752    5.9744   12.7667  O     
7    C        -4.5117    3.3781   14.3730  C     
8    C        -5.4730    4.3563   14.6414  C     
9    C        -4.7152    2.1933   15.1113  C     
10   C        -5.7937    2.2321   15.9981  C     
11   S        -6.5482    3.7657   15.8423  S     
12   O        -6.2678   -0.4212   16.4738  O     
13   O        -5.0146    0.9753   18.1953  O     
14   S        -6.2092    1.0118   17.1494  S     
15   N        -7.6125    1.3178   18.0126  N     
16   C        -3.3278    7.3823   13.2411  C     
17   C        -2.1380    7.7819   13.8928  C     
18   C        -1.5768    9.0557   13.6710  C     
19   C        -2.2003    9.9402   12.7688  C     
20   C        -3.3849    9.5607   12.1133  C     
21   C        -3.9433    8.2905   12.3471  C     
22   O        -0.3894    9.3911   14.2642  O     
23   C        -0.5463   10.0565   15.5274  C     
24   N        -2.0595    3.3408   14.2641  N     
25   C        -1.8512    3.9902   15.5718  C     
26   H        -3.3452    2.8423   12.7409  H     
27   H        -2.2170    5.1847   12.4725  H     
28   H        -3.8053    4.8741   11.8140  H     
29   H        -4.0819    1.3923   15.0579  H     
30   H        -7.6453    1.1274   18.9619  H     
31   H        -8.4016    1.6405   17.5509  H     
32   H        -1.6646    7.1500   14.5374  H     
33   H        -1.7883   10.8577   12.5832  H     
34   H        -3.8335   10.2038   11.4570  H     
35   H        -4.7916    8.0232   11.8430  H     
36   H        -1.0626   11.0117   15.4065  H     
37   H         0.4457   10.2544   15.9332  H     
38   H        -1.0892    9.4356   16.2453  H     
39   H        -2.0242    2.3357   14.4290  H     
40   H        -1.2657    3.5809   13.6648  H     
41   H        -1.8580    5.0679   15.4634  H     
42   H        -0.8854    3.6768   15.9694  H     
43   H        -2.6238    3.7017   16.2850  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1   24 1
     4    2    3 1
     5    3    4 1
     6    3   16 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   14 1
    16   12   14 2
    17   13   14 2
    18   14   15 am
    19   16   17 2
    20   16   21 1
    21   17   18 1
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26   22   23 1
    27   24   25 1
    28    1   26 1
    29    2   27 1
    30    2   28 1
    31    9   29 1
    32   15   30 1
    33   15   31 1
    34   17   32 1
    35   19   33 1
    36   20   34 1
    37   21   35 1
    38   23   36 1
    39   23   37 1
    40   23   38 1
    41   24   39 1
    42   24   40 1
    43   25   41 1
    44   25   42 1
    45   25   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5469
  Crash		| -2.6562
  Polar		| 3.9231
  FragIndex	| 1
  FragRMSD	| 1.113