@<TRIPOS>MOLECULE
BindingDB_50316302
 48 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.9101    8.2718   13.2884  N     
2    C         0.4907    7.0864   12.7922  C     
3    C         1.4493    6.1163   13.0912  C     
4    N         2.4175    6.7165   13.8068  N     
5    C         0.2308    9.5472   13.2923  C     
6    N        -0.6639    6.7407   12.1302  N     
7    C         2.0853    8.0156   13.9033  C     
8    P         4.6780   14.8182   15.5077  P     
9    C         1.2108    4.8099   12.7079  C     
10   N         0.0870    4.4937   12.0706  N     
11   C        -0.2708   10.1627   11.9404  C     
12   C        -0.8463    5.4406   11.7631  C     
13   O         1.1169   10.5645   13.8151  O     
14   P         4.3027   12.2607   15.0298  P     
15   O         4.8300   13.3462   16.0046  O     
16   O         3.2333   15.3873   15.3714  O     
17   P         2.2796   15.0567   16.5491  P     
18   C         1.7680   11.1511   12.6779  C     
19   C         0.5478   11.4636   11.8039  C     
20   O         5.4053   15.0911   14.1770  O     
21   C         2.7064   12.3479   13.0052  C     
22   O         5.4152   15.6406   16.4340  O     
23   O         2.8871   12.5500   14.4104  O     
24   O         1.9966    3.9135   12.9968  O     
25   O         5.4160   12.0192   13.9874  O     
26   O         2.9616   14.5764   17.8558  O     
27   O         4.2232   11.0335   15.7848  O     
28   O         1.5881   16.2741   16.9533  O     
29   N        -1.9575    5.0813   11.0966  N     
30   C         3.5705    6.1023   14.3901  C     
31   O        -0.0689    9.3423   10.7849  O     
32   O         1.1800   14.0537   16.1367  O     
33   O        -0.1904   12.5897   12.2824  O     
34   H        -0.6135    9.4616   13.9619  H     
35   H         2.6386    8.6948   14.4306  H     
36   H        -0.0776    3.5747   11.8186  H     
37   H        -1.3386   10.4114   12.0106  H     
38   H         2.3880   10.3972   12.1628  H     
39   H         0.8530   11.6485   10.7693  H     
40   H         2.2885   13.2648   12.5987  H     
41   H         3.6352   12.1711   12.4443  H     
42   H        -2.6262    5.7481   10.8769  H     
43   H        -2.0820    4.1585   10.8307  H     
44   H         4.1782    6.8233   14.9396  H     
45   H         3.2445    5.3351   15.0927  H     
46   H         4.1929    5.6449   13.6169  H     
47   H        -0.7215    8.6124   10.8750  H     
48   H        -0.4077   12.3863   13.2205  H     
@<TRIPOS>BOND
     1    1    2 1
     2    5    1 1
     3    1    7 1
     4    2    3 2
     5    2    6 1
     6    3    9 1
     7    3    4 1
     8    4    7 2
     9    4   30 1
    10    5   11 1
    11    5   13 1
    12    6   12 2
    13    8   15 1
    14    8   16 1
    15    8   20 1
    16    8   22 2
    17    9   10 1
    18    9   24 2
    19   10   12 1
    20   11   19 1
    21   11   31 1
    22   12   29 1
    23   13   18 1
    24   14   23 1
    25   14   15 1
    26   14   25 1
    27   14   27 2
    28   16   17 1
    29   17   26 1
    30   17   28 2
    31   17   32 1
    32   18   21 1
    33   18   19 1
    34   19   33 1
    35   21   23 1
    36    5   34 1
    37    7   35 1
    38   10   36 1
    39   11   37 1
    40   18   38 1
    41   19   39 1
    42   21   40 1
    43   21   41 1
    44   29   42 1
    45   29   43 1
    46   30   44 1
    47   30   45 1
    48   30   46 1
    49   31   47 1
    50   33   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7170
  Crash		| -0.8274
  Polar		| 7.6668
  FragIndex	| 1
  FragRMSD	| 1.334