@<TRIPOS>MOLECULE
BindingDB_16499
 47 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.6930   16.9631   -5.0541  C     
2    C        17.6036   15.8762   -5.6536  C     
3    O        15.3124   16.6229   -5.2363  O     
4    C        14.4924   17.0878   -6.2128  C     
5    O        14.9255   17.9231   -7.1837  O     
6    C        13.0742   16.7170   -6.1958  C     
7    C        12.0590   17.8465   -6.1813  C     
8    C        10.7091   17.6446   -6.6375  C     
9    O        10.5409   17.0733   -7.7078  O     
10   N         9.7089   18.1386   -5.9239  N     
11   C         8.3032   18.0209   -6.2272  C     
12   C         7.8910   18.7788   -7.4213  C     
13   O         8.7133   19.4373   -8.0494  O     
14   C         7.4332   18.3663   -4.9638  C     
15   C         7.8400   17.5098   -3.7298  C     
16   C         7.3664   19.8929   -4.5897  C     
17   C         5.9439   20.3610   -4.1972  C     
18   O        12.3815   17.0928   -5.0040  O     
19   N         6.6161   18.7667   -7.8119  N     
20   C         6.0421   19.5589   -8.8663  C     
21   C         6.0523   18.7560  -10.1927  C     
22   C         4.6821   20.0219   -8.5128  C     
23   O         4.0391   19.6253   -7.3819  O     
24   O         4.0722   20.9527   -9.2720  O     
25   H        16.8864   17.0535   -3.9841  H     
26   H        16.9227   17.9267   -5.5128  H     
27   H        17.4169   14.9217   -5.1605  H     
28   H        18.6511   16.1509   -5.5166  H     
29   H        17.4041   15.7714   -6.7208  H     
30   H        12.7751   15.7267   -6.5430  H     
31   H        12.4221   18.8720   -6.0822  H     
32   H         9.9558   18.5833   -5.0983  H     
33   H         8.1156   16.9643   -6.4505  H     
34   H         6.4176   18.0364   -5.2031  H     
35   H         7.8320   16.4457   -3.9807  H     
36   H         7.1383   17.6678   -2.9099  H     
37   H         8.8402   17.7697   -3.3741  H     
38   H         8.0410   20.1118   -3.7572  H     
39   H         7.6906   20.5090   -5.4288  H     
40   H         5.2509   20.1950   -5.0253  H     
41   H         5.9510   21.4291   -3.9687  H     
42   H         5.5871   19.8160   -3.3193  H     
43   H         6.0065   18.1999   -7.3095  H     
44   H         6.6408   20.4618   -9.0154  H     
45   H         7.0719   18.4428  -10.4317  H     
46   H         5.6887   19.3718  -11.0202  H     
47   H         5.4240   17.8653  -10.1113  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   18 1
     8    7    8 1
     9    7   18 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   19 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   20   21 1
    22   20   22 1
    23   22   23 2
    24   22   24 1
    25    1   25 1
    26    1   26 1
    27    2   27 1
    28    2   28 1
    29    2   29 1
    30    6   30 1
    31    7   31 1
    32   10   32 1
    33   11   33 1
    34   14   34 1
    35   15   35 1
    36   15   36 1
    37   15   37 1
    38   16   38 1
    39   16   39 1
    40   17   40 1
    41   17   41 1
    42   17   42 1
    43   19   43 1
    44   20   44 1
    45   21   45 1
    46   21   46 1
    47   21   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9478
  Crash		| -1.1013
  Polar		| 5.1644
  FragIndex	| 1
  FragRMSD	| 0.584