@<TRIPOS>MOLECULE
BindingDB_22579
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P        17.5055    7.8457   17.7241  P     
2    O        21.0011    7.1976   19.9421  O     
3    O        20.9370    6.0345   23.3487  O     
4    O        20.0173    4.2434   21.5222  O     
5    O        18.4240    7.3810   18.9025  O     
6    O        16.4931    6.7597   17.2863  O     
7    O        16.6632    9.0529   18.1836  O     
8    O        18.2542    8.3104   16.5832  O     
9    O        25.4105   10.9334   22.1521  O     
10   N        22.0037    8.5109   21.6068  N     
11   N        21.9113   10.6608   22.1121  N     
12   N        24.4040    8.2682   21.4874  N     
13   N        23.9537   12.4873   22.5753  N     
14   C        20.4247    6.6107   22.1396  C     
15   C        19.7167    5.6080   21.1892  C     
16   C        21.5579    7.1887   21.2570  C     
17   C        20.2491    5.9864   19.7804  C     
18   C        19.1938    6.1875   18.6665  C     
19   C        23.2740    8.9685   21.7168  C     
20   C        21.1952    9.5690   21.8260  C     
21   C        23.2128   10.3242   22.0610  C     
22   C        24.2329   11.2339   22.2824  C     
23   H        20.2261    5.4419   23.6820  H     
24   H        19.6974    4.1203   22.4443  H     
25   H        25.2752    8.6966   21.5578  H     
26   H        24.3543    7.3633   21.1447  H     
27   H        23.0287   12.7763   22.6560  H     
28   H        24.6686   13.1300   22.6983  H     
29   H        19.7080    7.3915   22.4116  H     
30   H        18.6268    5.7313   21.2588  H     
31   H        22.3997    6.4898   21.2674  H     
32   H        20.9463    5.2135   19.4452  H     
33   H        18.5446    5.3108   18.6357  H     
34   H        19.7309    6.2721   17.7257  H     
35   H        20.1725    9.5564   21.7819  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1    6 1
     3    1    7 1
     4    1    8 2
     5    2   16 1
     6    2   17 1
     7   14    3 1
     8   15    4 1
     9    5   18 1
    10    9   22 2
    11   16   10 1
    12   10   19 1
    13   10   20 1
    14   11   20 2
    15   11   21 1
    16   12   19 1
    17   13   22 am
    18   14   15 1
    19   14   16 1
    20   15   17 1
    21   17   18 1
    22   19   21 2
    23   21   22 1
    24    3   23 1
    25    4   24 1
    26   12   25 1
    27   12   26 1
    28   13   27 1
    29   13   28 1
    30   14   29 1
    31   15   30 1
    32   16   31 1
    33   17   32 1
    34   18   33 1
    35   18   34 1
    36   20   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8077
  Crash		| -0.5854
  Polar		| 10.1518
  FragIndex	| 1
  FragRMSD	| 0.333

@<TRIPOS>MOLECULE
BindingDB_22588
 36 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.9016    9.8924   20.6600  C     
2    N        21.3749   11.1235   20.9227  N     
3    N        21.6848    8.9463   21.2347  N     
4    C        22.4673   10.9708   21.6772  C     
5    C        23.2762   11.9649   22.1808  C     
6    C        22.6700    9.6073   21.8867  C     
7    O        23.0695   13.1314   21.8842  O     
8    N        24.3013   11.7167   22.9776  N     
9    S        24.7241   10.1564   23.4632  S     
10   O        26.2217    9.9269   22.9742  O     
11   O        24.4903   10.0370   25.0296  O     
12   N        23.6868    9.1080   22.6339  N     
13   C        21.4691    7.5273   21.1282  C     
14   C        20.3339    6.0183   19.7688  C     
15   C        19.7506    5.8150   21.1902  C     
16   C        20.2782    7.0288   21.9750  C     
17   O        20.6849    6.7470   23.3187  O     
18   O        20.2027    4.5731   21.7542  O     
19   O        21.1603    7.1874   19.7766  O     
20   C        19.2737    6.1925   18.6491  C     
21   O        18.4487    7.3528   18.9161  O     
22   O        18.2869    8.2948   16.6234  O     
23   O        16.5795    6.6723   17.2760  O     
24   P        17.5200    7.8036   17.7427  P     
25   O        16.6418    8.9890   18.1968  O     
26   H        20.0736    9.7089   20.0974  H     
27   H        24.8503   12.4604   23.2894  H     
28   H        23.7653    8.1480   22.7635  H     
29   H        22.3706    6.9751   21.4141  H     
30   H        20.9645    5.1680   19.5005  H     
31   H        18.6540    5.8048   21.2039  H     
32   H        19.4908    7.7951   22.0142  H     
33   H        19.9216    6.2790   23.7272  H     
34   H        19.7942    4.5097   22.6535  H     
35   H        19.8117    6.2946   17.6915  H     
36   H        18.6539    5.2871   18.5965  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    2    4 1
     4    3    6 1
     5   13    3 1
     6    4    5 1
     7    4    6 2
     8    5    7 2
     9    5    8 1
    10    6   12 1
    11    8    9 1
    12    9   10 2
    13    9   11 2
    14    9   12 1
    15   13   16 1
    16   13   19 1
    17   14   15 1
    18   14   19 1
    19   14   20 1
    20   15   16 1
    21   15   18 1
    22   16   17 1
    23   20   21 1
    24   21   24 1
    25   22   24 2
    26   23   24 1
    27   24   25 1
    28    1   26 1
    29    8   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   17   33 1
    36   18   34 1
    37   20   35 1
    38   20   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5987
  Crash		| -0.3987
  Polar		| 7.4910
  FragIndex	| 1
  FragRMSD	| 1.061