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


@<TRIPOS>ATOM
1    O        15.6925    0.4878   21.2090  O     
2    O        14.2473    1.1238   19.8479  O     
3    N        12.3411    0.6047   23.8123  N     
4    N        13.5590    0.9617   21.7943  N     
5    N        14.1787   -0.6614   23.4033  N     
6    N        14.4887    0.8246   20.9493  N     
7    C         9.6948   -0.6814   23.5934  C     
8    C        10.0266    0.6816   22.9150  C     
9    C        11.2135    1.4609   23.5414  C     
10   C        13.3711    0.3343   22.9824  C     
11   C         8.9469   -0.5880   24.9650  C     
12   C         7.4012   -0.5181   24.8171  C     
13   N         6.8064    0.4314   25.7838  N     
14   C         5.3317    0.5154   25.7450  C     
15   C         4.7600    1.2046   27.0015  C     
16   N         4.6530    0.2828   28.1393  N     
17   N         9.3279   -1.7406   25.8016  N     
18   H        12.2825    0.0530   24.6050  H     
19   H        12.8633    1.5799   21.5208  H     
20   H        14.9281   -0.9626   22.8569  H     
21   H         9.0914   -1.2666   22.8970  H     
22   H        10.6314   -1.2393   23.7156  H     
23   H        10.2504    0.4960   21.8572  H     
24   H         9.1412    1.3169   22.9392  H     
25   H        10.9109    1.9048   24.4895  H     
26   H        11.4933    2.2966   22.9008  H     
27   H         9.2784    0.2969   25.5091  H     
28   H         7.1452   -0.1871   23.8078  H     
29   H         6.9749   -1.5163   24.9660  H     
30   H         7.0890    0.1606   26.7282  H     
31   H         7.1865    1.3632   25.5893  H     
32   H         5.0179    1.0887   24.8652  H     
33   H         4.9074   -0.4910   25.6716  H     
34   H         5.3994    2.0447   27.2860  H     
35   H         3.7628    1.5905   26.7822  H     
36   H         4.0067   -0.4737   27.9052  H     
37   H         4.2995    0.7901   28.9510  H     
38   H         5.5703   -0.1079   28.3576  H     
39   H         9.0425   -2.6055   25.3368  H     
40   H         8.8752   -1.6755   26.7103  H     
41   H        10.3421   -1.7456   25.9274  H     
42   H        13.9693   -1.1267   24.2275  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	| 6.4737
  Crash		| -0.8143
  Polar		| 7.4794
  FragIndex	| 1
  FragRMSD	| 0.426