@<TRIPOS>MOLECULE
BindingDB_5549
 54 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.0944   44.7547   53.0643  C     
2    C         5.8112   43.1299   51.3039  C     
3    N         6.7542   43.7668   50.5532  N     
4    N         5.5099   43.6385   52.5346  N     
5    C         7.0514   45.4084   52.2727  C     
6    C         7.3675   44.8796   51.0255  C     
7    C         8.5678   46.6453   51.3774  C     
8    N         7.7983   46.5063   52.4749  N     
9    N         8.3136   45.6604   50.4985  N     
10   O         5.7588   45.2951   54.2803  O     
11   N         5.1052   42.0374   50.9354  N     
12   C         4.7686   44.6460   55.1041  C     
13   C         3.2875   45.0730   54.8516  C     
14   C         2.5211   46.6894   52.3803  C     
15   C         3.3579   47.3180   53.5225  C     
16   C         3.0755   46.6184   54.8773  C     
17   C         2.5830   44.4265   53.6127  C     
18   C         2.7822   45.1696   52.2624  C     
19   C         4.9697   41.4154   49.7222  C     
20   C         5.4285   41.0995   47.3317  C     
21   C         4.3255   40.2322   47.2105  C     
22   C         3.5457   39.9395   48.3538  C     
23   C         3.8935   40.5066   49.5998  C     
24   C         5.7390   41.6902   48.5677  C     
25   C         1.3385   39.4106   49.0321  C     
26   O         2.5010   39.0564   48.2611  O     
27   N         4.1385   37.8738   45.6592  N     
28   S         3.9412   39.5427   45.6547  S     
29   O         2.3966   39.8207   45.3970  O     
30   O         4.7544   40.1773   44.4458  O     
31   H         9.2496   47.3926   51.2356  H     
32   H         8.7435   45.5330   49.6388  H     
33   H         4.5436   41.6750   51.6405  H     
34   H         4.8500   43.5554   55.0721  H     
35   H         5.0196   44.9255   56.1298  H     
36   H         2.7503   44.6852   55.7267  H     
37   H         1.4566   46.8601   52.5673  H     
38   H         2.7774   47.1772   51.4348  H     
39   H         4.4209   47.2460   53.2808  H     
40   H         3.1120   48.3793   53.6030  H     
41   H         2.0333   46.8079   55.1462  H     
42   H         3.6939   47.0767   55.6548  H     
43   H         2.9003   43.3887   53.5029  H     
44   H         1.5074   44.4052   53.8092  H     
45   H         2.1003   44.7475   51.5190  H     
46   H         3.7945   45.0161   51.8903  H     
47   H         6.0031   41.3323   46.5169  H     
48   H         3.3295   40.2696   50.4222  H     
49   H         6.5102   42.3533   48.5873  H     
50   H         1.5544   39.4181   50.1004  H     
51   H         0.5683   38.6606   48.8490  H     
52   H         0.9447   40.3824   48.7328  H     
53   H         4.9103   37.4968   46.1078  H     
54   H         3.4235   37.2938   45.3551  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   10 1
     4    2    3 1
     5    2    4 2
     6    2   11 1
     7    3    6 2
     8    5    6 1
     9    5    8 1
    10    6    9 1
    11    7    8 2
    12    7    9 1
    13   10   12 1
    14   11   19 1
    15   12   13 1
    16   13   16 1
    17   13   17 1
    18   14   15 1
    19   14   18 1
    20   15   16 1
    21   17   18 1
    22   19   23 1
    23   19   24 2
    24   20   21 2
    25   20   24 1
    26   21   22 1
    27   21   28 1
    28   22   23 2
    29   22   26 1
    30   25   26 1
    31   27   28 am
    32   28   29 2
    33   28   30 2
    34    7   31 1
    35    9   32 1
    36   11   33 1
    37   12   34 1
    38   12   35 1
    39   13   36 1
    40   14   37 1
    41   14   38 1
    42   15   39 1
    43   15   40 1
    44   16   41 1
    45   16   42 1
    46   17   43 1
    47   17   44 1
    48   18   45 1
    49   18   46 1
    50   20   47 1
    51   23   48 1
    52   24   49 1
    53   25   50 1
    54   25   51 1
    55   25   52 1
    56   27   53 1
    57   27   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3876
  Crash		| -1.6669
  Polar		| 0.9394
  FragIndex	| 1
  FragRMSD	| 0.259