@<TRIPOS>MOLECULE
BindingDB_21960
 42 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        13.8461    1.6610   19.8228  O     
2    O        15.1005    0.5442   21.0241  O     
3    N        11.7792    0.0604   23.4994  N     
4    N        13.0751    0.9236   21.7179  N     
5    N        13.9514   -0.6205   23.2901  N     
6    N        14.0497    1.0519   20.9097  N     
7    C         8.0831    1.0369   23.7970  C     
8    C         9.3799    0.1979   23.9991  C     
9    C        10.5689    0.7501   23.1696  C     
10   C        12.9477    0.1364   22.8215  C     
11   C         6.9479    0.7193   24.8154  C     
12   C         5.6240    1.4754   24.5187  C     
13   N         5.6703    2.9031   24.9197  N     
14   C         4.6623    3.7731   24.2753  C     
15   C         5.2621    5.1684   23.9962  C     
16   N         5.9737    5.2248   22.7138  N     
17   N         6.6682   -0.7269   24.8443  N     
18   H        11.7556   -0.5331   24.2655  H     
19   H        12.2959    1.4584   21.5004  H     
20   H        14.8175   -0.6205   22.8470  H     
21   H         8.3507    2.0941   23.8960  H     
22   H         7.7097    0.8801   22.7775  H     
23   H         9.6563    0.2087   25.0622  H     
24   H         9.1839   -0.8396   23.7048  H     
25   H        10.6973    1.8175   23.3841  H     
26   H        10.3452    0.6242   22.1041  H     
27   H         7.2842    1.0101   25.8177  H     
28   H         5.4056    1.4166   23.4469  H     
29   H         4.8139    0.9861   25.0694  H     
30   H         5.5520    2.9694   25.9391  H     
31   H         6.5981    3.2615   24.6775  H     
32   H         4.3263    3.3430   23.3269  H     
33   H         3.7995    3.8827   24.9433  H     
34   H         4.4749    5.9237   23.9840  H     
35   H         5.9710    5.4269   24.7846  H     
36   H         6.6640    4.4752   22.6561  H     
37   H         6.4605    6.1163   22.6291  H     
38   H         5.3170    5.1439   21.9380  H     
39   H         6.4706   -1.0630   23.8958  H     
40   H         5.8659   -0.9141   25.4479  H     
41   H         7.4789   -1.2257   25.2110  H     
42   H        13.8168   -1.1387   24.1036  H     
@<TRIPOS>BOND
     1    1    6 1
     2    2    6 2
     3    3    9 1
     4    3   10 1
     5    4    6 1
     6    4   10 1
     7    5   10 2
     8    7    8 1
     9   11    7 1
    10    8    9 1
    11   11   12 1
    12   11   17 1
    13   12   13 1
    14   13   14 1
    15   14   15 1
    16   15   16 1
    17    3   18 1
    18    4   19 1
    19    5   20 1
    20    7   21 1
    21    7   22 1
    22    8   23 1
    23    8   24 1
    24    9   25 1
    25    9   26 1
    26   11   27 1
    27   12   28 1
    28   12   29 1
    29   13   30 1
    30   13   31 1
    31   14   32 1
    32   14   33 1
    33   15   34 1
    34   15   35 1
    35   16   36 1
    36   16   37 1
    37   16   38 1
    38   17   39 1
    39   17   40 1
    40   17   41 1
    41    5   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7917
  Crash		| -1.0703
  Polar		| 8.6348
  FragIndex	| 1
  FragRMSD	| 1.036