@<TRIPOS>MOLECULE
BindingDB_50292718
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        35.4517   13.4234   10.0264  C     
2    C        34.3990   13.3129    9.1888  C     
3    N        33.1115   13.4755    9.6298  N     
4    C        32.9233   13.8126   10.9252  C     
5    N        33.9675   13.9137   11.7473  N     
6    C        35.2045   13.6909   11.3313  C     
7    O        36.1099   13.7396   12.1533  O     
8    O        31.8195   14.0292   11.4081  O     
9    C        31.9964   13.2060    8.7289  C     
10   O        32.1393   11.8928    8.1610  O     
11   C        31.4799   11.9326    6.8805  C     
12   C        31.9441   13.2781    6.2880  C     
13   C        31.8635   14.1956    7.5313  C     
14   O        30.6120   14.9000    7.5944  O     
15   O        31.1480   13.7212    5.1834  O     
16   C        31.8763   10.6663    6.0690  C     
17   N        31.1820   10.5933    4.7440  N     
18   C        29.7302   10.8395    4.7792  C     
19   C        29.1919   10.2710    3.4537  C     
20   C        30.2117    9.1924    3.0235  C     
21   C        31.3677    9.2852    4.0430  C     
22   H        36.3821   13.3031    9.6937  H     
23   H        34.5832   13.1134    8.2313  H     
24   H        33.8121   14.1257   12.6792  H     
25   H        31.0395   13.1846    9.2732  H     
26   H        30.3785   11.8948    6.9843  H     
27   H        32.9973   13.2024    5.9733  H     
28   H        32.6679   14.9322    7.5043  H     
29   H        30.7983   15.6877    8.1597  H     
30   H        31.5643   14.5731    4.9256  H     
31   H        32.9554   10.6597    5.9017  H     
32   H        31.6125    9.7713    6.6566  H     
33   H        31.5899   11.3105    4.1350  H     
34   H        29.2654   10.3490    5.6480  H     
35   H        29.5062   11.9110    4.8277  H     
36   H        28.1935    9.8447    3.5928  H     
37   H        29.1565   11.0593    2.6960  H     
38   H        29.7616    8.1894    3.0520  H     
39   H        30.5827    9.3905    2.0071  H     
40   H        32.3395    9.2712    3.5413  H     
41   H        31.3028    8.4472    4.7510  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 1
     5    9    3 1
     6    4    5 1
     7    4    8 2
     8    5    6 1
     9    6    7 2
    10    9   10 1
    11    9   13 1
    12   10   11 1
    13   11   12 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   13   14 1
    18   16   17 1
    19   17   18 1
    20   17   21 1
    21   18   19 1
    22   19   20 1
    23   20   21 1
    24    1   22 1
    25    2   23 1
    26    5   24 1
    27    9   25 1
    28   11   26 1
    29   12   27 1
    30   13   28 1
    31   14   29 1
    32   15   30 1
    33   16   31 1
    34   16   32 1
    35   17   33 1
    36   18   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2845
  Crash		| -2.6626
  Polar		| 3.2100
  FragIndex	| 1
  FragRMSD	| 0.344