@<TRIPOS>MOLECULE
BindingDB_50023644
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        -0.0216    6.7363   14.6556  N     
2    C        -0.1524    7.0875   13.3574  C     
3    N         0.8336    7.7100   12.7353  N     
4    C         2.0743    7.8729   14.7516  C     
5    C        -1.0002    5.9072   15.3192  C     
6    C         1.9358    8.0990   13.3947  C     
7    C         1.1253    7.0784   15.3135  C     
8    P        -0.1270    0.1997   16.7717  P     
9    O        -0.4099    4.6049   15.4382  O     
10   C        -1.4731    6.3448   16.7219  C     
11   C        -0.7594    4.0158   16.7007  C     
12   C        -1.8169    4.9598   17.3216  C     
13   C         2.9827    8.6216   15.5431  C     
14   C        -1.1563    2.5234   16.4848  C     
15   O        -1.1220    6.7749   12.6655  O     
16   O        -0.3083    1.6574   17.2774  O     
17   O        -0.3839   -0.7774   17.9241  O     
18   O        -1.0688   -0.1065   15.5974  O     
19   O         2.8400    8.5537   12.6993  O     
20   O         1.2366    0.0041   16.3610  O     
21   C         3.3399    8.2235   16.8565  C     
22   C         3.4834    9.8793   15.0923  C     
23   C         4.6165   10.2716   17.2140  C     
24   O        -1.8471    4.9152   18.7444  O     
25   C         4.1199    9.0492   17.6904  C     
26   C         4.2984   10.6819   15.9106  C     
27   O         5.4080   11.0726   17.9713  O     
28   H         0.7491    7.8983   11.7895  H     
29   H        -1.9041    5.7790   14.7172  H     
30   H         1.1952    6.7856   16.2719  H     
31   H        -0.6808    6.9108   17.2364  H     
32   H        -2.3658    6.9720   16.6940  H     
33   H         0.1455    4.0670   17.3268  H     
34   H        -2.8195    4.6588   16.9736  H     
35   H        -2.1894    2.3554   16.8034  H     
36   H        -1.1219    2.3049   15.4100  H     
37   H         3.0331    7.3160   17.2267  H     
38   H         3.2219   10.2462   14.1734  H     
39   H        -0.9619    5.2177   19.0335  H     
40   H         4.3163    8.7604   18.6496  H     
41   H         4.6279   11.5897   15.5691  H     
42   H         5.4607   10.6468   18.8483  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1    7 1
     4    2    3 1
     5    2   15 2
     6    3    6 1
     7    4    6 1
     8    4    7 2
     9    4   13 1
    10    5    9 1
    11    5   10 1
    12    6   19 2
    13    8   16 1
    14    8   17 1
    15    8   18 1
    16    8   20 2
    17    9   11 1
    18   10   12 1
    19   11   12 1
    20   11   14 1
    21   12   24 1
    22   13   21 2
    23   13   22 1
    24   14   16 1
    25   21   25 1
    26   22   26 2
    27   23   25 2
    28   23   26 1
    29   23   27 1
    30    3   28 1
    31    5   29 1
    32    7   30 1
    33   10   31 1
    34   10   32 1
    35   11   33 1
    36   12   34 1
    37   14   35 1
    38   14   36 1
    39   21   37 1
    40   22   38 1
    41   24   39 1
    42   25   40 1
    43   26   41 1
    44   27   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4804
  Crash		| -2.5945
  Polar		| 9.1635
  FragIndex	| 1
  FragRMSD	| 1.332