@<TRIPOS>MOLECULE
BindingDB_7683
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.5175   49.9651   42.0612  C     
2    C        -6.9858   50.5628   43.2236  C     
3    C        -7.3626   51.8715   43.5892  C     
4    C        -8.2671   52.5939   42.7874  C     
5    C        -8.4482   50.6703   41.2532  C     
6    C        -9.1643   50.4005   40.0820  C     
7    C        -8.7900   51.9682   41.6448  C     
8    N        -9.6396   52.4622   40.7526  N     
9    C        -9.8525   51.5614   39.8247  C     
10   O       -10.5518   51.8384   38.8613  O     
11   N       -10.1207   49.1674   38.3258  N     
12   C       -10.1045   48.4057   37.1975  C     
13   C       -10.3049   46.6947   34.9335  C     
14   C       -11.4218   47.4283   35.3730  C     
15   C       -11.3157   48.2851   36.4853  C     
16   C        -8.9702   47.7174   36.7064  C     
17   C        -9.0724   46.8551   35.6013  C     
18   O        -9.0769   45.6370   32.7782  O     
19   S       -10.4310   45.5707   33.6089  S     
20   O       -10.6492   44.1064   34.1877  O     
21   N       -11.6772   45.9185   32.5431  N     
22   C        -9.2335   49.2574   39.3399  C     
23   C        -8.5486   48.0378   39.7591  C     
24   H        -7.1952   49.0302   41.8221  H     
25   H        -6.3138   50.0480   43.7996  H     
26   H        -6.9703   52.3039   44.4266  H     
27   H        -8.5197   53.5550   43.0148  H     
28   H       -10.0126   53.3615   40.7743  H     
29   H       -10.9215   49.7024   38.4350  H     
30   H       -12.3228   47.3328   34.9032  H     
31   H       -12.1481   48.7870   36.7994  H     
32   H        -8.0627   47.8238   37.1673  H     
33   H        -8.2487   46.3377   35.2928  H     
34   H       -11.5942   45.5799   31.6333  H     
35   H       -12.2049   46.7173   32.6926  H     
36   H        -7.4729   48.1730   39.6706  H     
37   H        -8.8106   47.1631   39.1714  H     
38   H        -8.8213   47.7865   40.7851  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    3    4 1
     5    4    7 2
     6    5    6 1
     7    5    7 1
     8    6    9 1
     9    6   22 2
    10    7    8 1
    11    8    9 1
    12    9   10 2
    13   11   12 1
    14   11   22 1
    15   12   15 2
    16   12   16 1
    17   13   14 2
    18   13   17 1
    19   13   19 1
    20   14   15 1
    21   16   17 2
    22   18   19 2
    23   19   20 2
    24   19   21 am
    25   22   23 1
    26    1   24 1
    27    2   25 1
    28    3   26 1
    29    4   27 1
    30    8   28 1
    31   11   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   17   33 1
    36   21   34 1
    37   21   35 1
    38   23   36 1
    39   23   37 1
    40   23   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8828
  Crash		| -1.1770
  Polar		| 3.2864
  FragIndex	| 1
  FragRMSD	| 0.974