@<TRIPOS>MOLECULE
BindingDB_50316320
 53 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         1.0603    8.2475   13.2544  N     
2    C         0.6940    7.0966   12.6572  C     
3    N         2.5571    6.6792   13.7951  N     
4    C         1.6119    6.1048   13.0152  C     
5    C         0.3327    9.4904   13.2799  C     
6    N        -0.4199    6.7846   11.9313  N     
7    C         2.1720    7.9619   13.9729  C     
8    C         1.3240    4.7868   12.6587  C     
9    N         0.2043    4.5087   11.9879  N     
10   C         0.0376   10.1001   11.8869  C     
11   C        -0.6581    5.4871   11.5943  C     
12   O         1.0271   10.5064   14.0380  O     
13   P         4.3214   12.8652   14.8081  P     
14   C         1.5272   11.4762   13.1107  C     
15   C         0.3916   11.5881   12.0762  C     
16   C         3.6742    6.0666   14.4687  C     
17   C         1.9337   12.7830   13.8336  C     
18   C         4.9609    6.1628   13.7053  C     
19   O         2.8112   12.5082   14.9532  O     
20   O         2.0127    3.8526   13.0365  O     
21   O         4.4798   14.3779   14.5841  O     
22   O         5.1016   12.1519   13.6919  O     
23   O         4.9989   12.6057   16.0516  O     
24   N        -1.7582    5.1635   10.9065  N     
25   O        -1.3100    9.9115   11.4594  O     
26   C         5.6696    7.3910   13.4982  C     
27   O        -0.7365   12.3135   12.5831  O     
28   C         5.5385    4.9659   13.2151  C     
29   C         5.1730    8.7100   13.9680  C     
30   C         6.9181    7.3651   12.8221  C     
31   C         6.7887    4.9664   12.5745  C     
32   C         7.4839    6.1639   12.3792  C     
33   H        -0.6083    9.3117   13.8035  H     
34   H         2.5854    8.5924   14.6682  H     
35   H        -0.0139    3.5768   11.7967  H     
36   H         0.6988    9.6694   11.1310  H     
37   H         2.4231   11.0794   12.6166  H     
38   H         0.7321   12.0461   11.1416  H     
39   H         3.8216    6.5165   15.4465  H     
40   H         3.4114    5.0337   14.7036  H     
41   H         2.3527   13.4922   13.1079  H     
42   H         1.0351   13.2442   14.2577  H     
43   H        -1.9447    4.2338   10.7027  H     
44   H        -2.3701    5.8580   10.6222  H     
45   H        -1.3563    8.9792   11.1510  H     
46   H        -0.4683   13.2588   12.5784  H     
47   H         5.0663    4.0714   13.3428  H     
48   H         5.9499    9.4747   13.9360  H     
49   H         4.3529    9.0439   13.3438  H     
50   H         4.8360    8.6538   14.9987  H     
51   H         7.4314    8.2316   12.6362  H     
52   H         7.1954    4.0968   12.2430  H     
53   H         8.3955    6.1662   11.9170  H     
@<TRIPOS>BOND
     1    1    2 1
     2    5    1 1
     3    1    7 1
     4    2    4 2
     5    2    6 1
     6    3    7 2
     7    3   16 1
     8    3    4 1
     9    4    8 1
    10    5   10 1
    11    5   12 1
    12    6   11 2
    13    8    9 1
    14    8   20 2
    15    9   11 1
    16   10   15 1
    17   10   25 1
    18   11   24 1
    19   12   14 1
    20   13   19 1
    21   13   21 1
    22   13   22 1
    23   13   23 2
    24   14   17 1
    25   14   15 1
    26   15   27 1
    27   16   18 1
    28   17   19 1
    29   18   26 1
    30   18   28 2
    31   26   29 1
    32   26   30 2
    33   28   31 1
    34   30   32 1
    35   31   32 2
    36    5   33 1
    37    7   34 1
    38    9   35 1
    39   10   36 1
    40   14   37 1
    41   15   38 1
    42   16   39 1
    43   16   40 1
    44   17   41 1
    45   17   42 1
    46   24   43 1
    47   24   44 1
    48   25   45 1
    49   27   46 1
    50   28   47 1
    51   29   48 1
    52   29   49 1
    53   29   50 1
    54   30   51 1
    55   31   52 1
    56   32   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.7111
  Crash		| -0.9373
  Polar		| 6.5964
  FragIndex	| 1
  FragRMSD	| 1.224