@<TRIPOS>MOLECULE
BindingDB_7716
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.8863   49.8892   41.9464  C     
2    C        -7.2547   50.3645   43.1300  C     
3    C        -7.3429   51.7492   43.4460  C     
4    C        -8.0636   52.6358   42.6269  C     
5    C        -8.6226   50.7787   41.1398  C     
6    C        -9.3786   50.6054   40.0017  C     
7    C        -8.7162   52.1230   41.4937  C     
8    N        -9.5180   52.7139   40.6001  N     
9    C        -9.9332   51.8160   39.7327  C     
10   O       -10.6929   52.1007   38.8216  O     
11   N       -10.3497   49.2943   38.2925  N     
12   C       -10.3465   48.3689   37.3006  C     
13   C       -10.4590   46.5783   35.0886  C     
14   C       -11.5247   47.4718   35.3449  C     
15   C       -11.4655   48.3576   36.4390  C     
16   C        -9.2989   47.4365   37.0824  C     
17   C        -9.3446   46.5660   35.9664  C     
18   O        -9.1667   45.9211   32.7960  O     
19   S       -10.4498   45.5654   33.6634  S     
20   O       -10.3064   44.0483   34.1144  O     
21   N       -11.7943   45.7017   32.6629  N     
22   C        -9.4895   49.4601   39.2945  C     
23   C        -6.6043   49.4616   44.0079  C     
24   O        -6.3195   49.8220   45.2834  O     
25   O        -6.4096   48.1572   43.6992  O     
26   H        -7.8523   48.8988   41.6992  H     
27   H        -6.8952   52.1228   44.2869  H     
28   H        -8.1349   53.6283   42.8581  H     
29   H        -9.7737   53.6569   40.6015  H     
30   H       -11.0685   49.9371   38.2510  H     
31   H       -12.3439   47.4943   34.7314  H     
32   H       -12.2389   49.0065   36.6074  H     
33   H        -8.4762   47.4108   37.6960  H     
34   H        -8.5579   45.9254   35.7834  H     
35   H       -11.8711   45.0689   31.9311  H     
36   H       -12.2443   46.5686   32.5978  H     
37   H        -8.9494   48.6772   39.5635  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    2   23 1
     5    3    4 1
     6    4    7 2
     7    5    6 1
     8    5    7 1
     9    6    9 1
    10    6   22 2
    11    7    8 1
    12    8    9 1
    13    9   10 2
    14   11   12 1
    15   11   22 1
    16   12   15 2
    17   12   16 1
    18   13   14 2
    19   13   17 1
    20   13   19 1
    21   14   15 1
    22   16   17 2
    23   18   19 2
    24   19   20 2
    25   19   21 am
    26   23   24 2
    27   23   25 1
    28    1   26 1
    29    3   27 1
    30    4   28 1
    31    8   29 1
    32   11   30 1
    33   14   31 1
    34   15   32 1
    35   16   33 1
    36   17   34 1
    37   21   35 1
    38   21   36 1
    39   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0073
  Crash		| -1.7706
  Polar		| 5.7015
  FragIndex	| 1
  FragRMSD	| 0.857