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


@<TRIPOS>ATOM
1    C        -8.0115   49.8991   14.8586  C     
2    C        -7.3373   50.3961   16.0051  C     
3    C        -7.4721   51.7687   16.3407  C     
4    C        -8.2635   52.6346   15.5576  C     
5    C        -8.8044   50.7697   14.0836  C     
6    C        -9.5506   50.5944   12.9458  C     
7    C        -8.9265   52.1101   14.4407  C     
8    N        -9.7375   52.6947   13.5585  N     
9    C       -10.1127   51.8005   12.6737  C     
10   O       -10.8248   52.0988   11.7295  O     
11   N       -10.3450   49.3519   11.1292  N     
12   C       -10.2626   48.4347   10.1344  C     
13   C       -10.2651   46.6583    7.9218  C     
14   C        -9.2921   46.5358    8.9300  C     
15   C        -9.2943   47.4104   10.0327  C     
16   C       -11.2272   48.5501    9.1179  C     
17   C       -11.2345   47.6722    8.0240  C     
18   O        -8.8482   45.6155    5.8751  O     
19   S       -10.2863   45.5686    6.5609  S     
20   O       -10.5696   44.1088    7.1150  O     
21   N       -11.4410   45.9313    5.3923  N     
22   C        -9.6062   49.4567   12.2249  C     
23   C        -6.5547   49.5283   16.8035  C     
24   O        -5.8650   49.9797   17.8659  O     
25   O        -6.3894   48.2182   16.5084  O     
26   H        -7.9334   48.9158   14.5940  H     
27   H        -6.9989   52.1603   17.1606  H     
28   H        -8.3483   53.6226   15.7907  H     
29   H        -9.9981   53.6304   13.5600  H     
30   H       -11.0227   50.0320   11.0003  H     
31   H        -8.5696   45.8126    8.8730  H     
32   H        -8.5774   47.2918   10.7502  H     
33   H       -11.9552   49.2708    9.1666  H     
34   H       -11.9534   47.7802    7.3089  H     
35   H       -11.4890   45.3880    4.5967  H     
36   H       -11.8836   46.8002    5.3924  H     
37   H        -9.0807   48.6733   12.5302  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	| 4.9116
  Crash		| -3.7026
  Polar		| 3.9765
  FragIndex	| 1
  FragRMSD	| 0.902