@<TRIPOS>MOLECULE
BindingDB_20676
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.4449   17.5683   33.1441  C     
2    C        12.8180   18.8636   32.0145  C     
3    N        12.9005   18.0701   30.9155  N     
4    N        13.6016   18.6049   33.1026  N     
5    O        15.1059   17.4025   34.1567  O     
6    N        11.9480   19.8839   32.0169  N     
7    C        14.5599   16.7128   32.0451  C     
8    C        13.7719   17.0221   30.9351  C     
9    C        14.0598   16.1052   29.9469  C     
10   C        15.0075   15.2299   30.4723  C     
11   C        15.5337   14.1216   29.6527  C     
12   N        15.3020   15.6099   31.7503  N     
13   C        16.2201   14.9662   32.6554  C     
14   C        15.5638   14.0977   33.6715  C     
15   C        15.5225   13.1355   35.9174  C     
16   C        16.1314   13.9480   34.9542  C     
17   C        14.3860   13.3707   33.3708  C     
18   C        13.7588   12.5778   34.3502  C     
19   C        14.3123   12.4526   35.6469  C     
20   C        13.6981   11.7038   36.6525  C     
21   O        14.4054   11.0650   37.4129  O     
22   N        12.3836   11.6906   36.8306  N     
23   C        11.6527   11.1391   37.9513  C     
24   C        11.9952    9.6643   38.3663  C     
25   C        12.7120    8.7361   37.3366  C     
26   C        12.0587    8.5874   36.0196  C     
27   O        12.4201    7.5349   35.2416  O     
28   O        11.6362    9.6867   35.3571  O     
29   C        11.6956   12.0398   39.1383  C     
30   O        12.4446   13.1708   39.1885  O     
31   O        10.9286   11.7704   40.2239  O     
32   H        13.5371   19.1986   33.8732  H     
33   H        11.8964   20.4670   32.7909  H     
34   H        11.3649   20.0256   31.2553  H     
35   H        13.6599   16.0857   29.0029  H     
36   H        14.7369   13.3979   29.4484  H     
37   H        16.3592   13.5862   30.1176  H     
38   H        15.8879   14.5238   28.7017  H     
39   H        16.9344   14.3353   32.1351  H     
40   H        16.8197   15.7440   33.1377  H     
41   H        15.9629   13.0685   36.8395  H     
42   H        17.0010   14.4325   35.2015  H     
43   H        13.9702   13.4219   32.4366  H     
44   H        12.9028   12.0745   34.0938  H     
45   H        11.8445   12.1554   36.1706  H     
46   H        10.6124   11.1482   37.6255  H     
47   H        12.6560    9.6841   39.2448  H     
48   H        11.0722    9.1684   38.6901  H     
49   H        13.7385    9.1072   37.2240  H     
50   H        12.7716    7.7329   37.7870  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1    7 1
     4    2    3 2
     5    2    4 1
     6    2    6 1
     7    3    8 1
     8    7    8 2
     9    7   12 1
    10    8    9 1
    11    9   10 2
    12   10   11 1
    13   10   12 1
    14   12   13 1
    15   13   14 1
    16   14   16 2
    17   14   17 1
    18   15   16 1
    19   15   19 2
    20   17   18 2
    21   18   19 1
    22   19   20 1
    23   20   21 2
    24   20   22 am
    25   22   23 1
    26   23   24 1
    27   23   29 1
    28   24   25 1
    29   25   26 1
    30   26   27 2
    31   26   28 1
    32   29   30 2
    33   29   31 1
    34    4   32 1
    35    6   33 1
    36    6   34 1
    37    9   35 1
    38   11   36 1
    39   11   37 1
    40   11   38 1
    41   13   39 1
    42   13   40 1
    43   15   41 1
    44   16   42 1
    45   17   43 1
    46   18   44 1
    47   22   45 1
    48   23   46 1
    49   24   47 1
    50   24   48 1
    51   25   49 1
    52   25   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9253
  Crash		| -1.6221
  Polar		| 4.8000
  FragIndex	| 1
  FragRMSD	| 1.365