@<TRIPOS>MOLECULE
BindingDB_50032981
 17 16 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P         9.8395   -6.1434   37.1867  P     
2    O        11.0136   -6.5841   37.8974  O     
3    O         8.6084   -6.5125   38.0344  O     
4    O         9.7718   -6.9243   35.8598  O     
5    C         9.9175   -4.4969   36.9322  C     
6    N         6.8337   -3.9681   34.6243  N     
7    C         9.0390   -3.9518   35.7708  C     
8    C         7.5227   -4.2483   35.8886  C     
9    H         9.6487   -3.9887   37.8621  H     
10   H        10.9587   -4.2445   36.7093  H     
11   H         7.0544   -3.0163   34.3128  H     
12   H         5.8220   -4.0423   34.7646  H     
13   H         7.1401   -4.6407   33.9122  H     
14   H         9.1676   -2.8649   35.7331  H     
15   H         9.4083   -4.3512   34.8209  H     
16   H         7.0833   -3.6265   36.6747  H     
17   H         7.3496   -5.2992   36.1319  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    1    5 1
     5    5    7 1
     6    6    8 1
     7    7    8 1
     8    5    9 1
     9    5   10 1
    10    6   11 1
    11    6   12 1
    12    6   13 1
    13    7   14 1
    14    7   15 1
    15    8   16 1
    16    8   17 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4388
  Crash		| -0.1445
  Polar		| 6.7357
  FragIndex	| 1
  FragRMSD	| 0.599

@<TRIPOS>MOLECULE
BindingDB_50153713
 19 18 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.9382   -3.6984   34.6526  C     
2    N         6.8955   -4.5835   34.9117  N     
3    C         8.2689   -4.1895   35.0605  C     
4    C         8.6458   -3.7701   36.5157  C     
5    C         9.9009   -4.4597   37.1230  C     
6    O         4.7712   -4.0372   34.5059  O     
7    O         6.5945   -5.8487   35.1339  O     
8    P         9.8429   -6.1247   37.2396  P     
9    O         8.6247   -6.5735   38.0687  O     
10   O         9.7518   -6.8349   35.8712  O     
11   O        11.0207   -6.6059   37.9228  O     
12   H         6.1461   -2.7242   34.6183  H     
13   H         8.9033   -5.0048   34.7318  H     
14   H         8.5143   -3.3667   34.3870  H     
15   H         8.8297   -2.6961   36.5223  H     
16   H         7.7920   -3.9351   37.1854  H     
17   H        10.7810   -4.1882   36.5335  H     
18   H        10.0590   -4.0668   38.1373  H     
19   H         6.4005   -6.2182   34.2458  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    6 2
     3    2    3 1
     4    2    7 1
     5    3    4 1
     6    4    5 1
     7    5    8 1
     8    8    9 1
     9    8   10 1
    10    8   11 2
    11    1   12 1
    12    3   13 1
    13    3   14 1
    14    4   15 1
    15    4   16 1
    16    5   17 1
    17    5   18 1
    18    7   19 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6853
  Crash		| -0.5891
  Polar		| 9.2258
  FragIndex	| 1
  FragRMSD	| 0.431

@<TRIPOS>MOLECULE
BindingDB_50181153
 22 21 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.3401   -4.0097   35.6845  C     
2    N         6.6256   -4.3948   35.6953  N     
3    C         7.6727   -3.7130   36.4287  C     
4    C         9.1093   -3.8267   35.8205  C     
5    C        10.1672   -4.5249   36.7226  C     
6    O         4.5339   -4.6242   34.9974  O     
7    O         6.9268   -5.5575   35.1558  O     
8    P         9.8487   -6.1088   37.1222  P     
9    O         9.6745   -6.9961   35.8755  O     
10   O        11.0582   -6.6387   37.9106  O     
11   O         8.7027   -6.2419   37.9831  O     
12   C         4.7998   -2.9144   36.4765  C     
13   H         7.4479   -2.6390   36.5008  H     
14   H         7.6653   -4.0973   37.4584  H     
15   H         9.0786   -4.3169   34.8425  H     
16   H         9.4837   -2.8132   35.6303  H     
17   H        11.1242   -4.5130   36.1917  H     
18   H        10.2905   -3.9495   37.6447  H     
19   H         7.1181   -5.3641   34.2112  H     
20   H         5.0349   -3.0674   37.5329  H     
21   H         3.7126   -2.8421   36.3844  H     
22   H         5.2283   -1.9680   36.1424  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    6 2
     3    1   12 1
     4    2    3 1
     5    2    7 1
     6    3    4 1
     7    4    5 1
     8    5    8 1
     9    8    9 1
    10    8   10 1
    11    8   11 2
    12    3   13 1
    13    3   14 1
    14    4   15 1
    15    4   16 1
    16    5   17 1
    17    5   18 1
    18    7   19 1
    19   12   20 1
    20   12   21 1
    21   12   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4169
  Crash		| -0.3437
  Polar		| 8.8256
  FragIndex	| 1
  FragRMSD	| 1.300

@<TRIPOS>MOLECULE
BindingDB_50185359
 23 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         9.1078   -4.8210   36.7868  C     
2    C         8.9393   -4.2305   35.3636  C     
3    C         9.5130   -3.3679   36.5012  C     
4    P        10.1759   -6.0942   36.8588  P     
5    O        10.3836   -6.6032   38.1900  O     
6    O         9.6486   -7.2241   35.9542  O     
7    O        11.5592   -5.7222   36.3046  O     
8    C         7.5256   -3.9048   34.8080  C     
9    N         6.4952   -4.8142   35.2529  N     
10   O         6.8022   -6.0928   35.2498  O     
11   C         5.2614   -4.4468   35.6151  C     
12   O         4.9041   -3.2787   35.5207  O     
13   C         4.2783   -5.3970   36.1090  C     
14   H         8.1728   -4.9365   37.3398  H     
15   H         9.7056   -4.4686   34.6178  H     
16   H         8.8449   -2.6073   36.9088  H     
17   H        10.5832   -3.1569   36.4510  H     
18   H         7.2938   -2.8593   35.0290  H     
19   H         7.5719   -3.9803   33.7197  H     
20   H         6.5607   -6.4075   34.3549  H     
21   H         4.0832   -6.1594   35.3529  H     
22   H         3.3297   -4.9138   36.3571  H     
23   H         4.6591   -5.8819   37.0103  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    4 1
     4    2    3 1
     5    2    8 1
     6    4    5 2
     7    4    6 1
     8    4    7 1
     9    8    9 1
    10    9   10 1
    11    9   11 am
    12   11   12 2
    13   11   13 1
    14    1   14 1
    15    2   15 1
    16    3   16 1
    17    3   17 1
    18    8   18 1
    19    8   19 1
    20   10   20 1
    21   13   21 1
    22   13   22 1
    23   13   23 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7833
  Crash		| -0.6777
  Polar		| 6.8141
  FragIndex	| 1
  FragRMSD	| 1.278

@<TRIPOS>MOLECULE
BindingDB_50185363
 20 20 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         9.6098   -5.0518   36.3473  C     
2    C         8.6534   -3.9782   36.9042  C     
3    C        10.1776   -3.8146   37.0557  C     
4    P         9.6918   -6.5348   37.0966  P     
5    O         9.6863   -7.5254   36.0549  O     
6    O        11.0162   -6.7155   37.8605  O     
7    O         8.5045   -6.8280   38.0327  O     
8    C         7.8648   -3.1341   35.8723  C     
9    N         6.8138   -3.8560   35.1989  N     
10   O         6.9049   -5.1610   35.0698  O     
11   C         5.8052   -3.2151   34.6176  C     
12   O         4.9062   -3.7891   34.0170  O     
13   H         9.7440   -5.0304   35.2614  H     
14   H         8.1414   -4.2255   37.8317  H     
15   H        10.5535   -3.9283   38.0707  H     
16   H        10.6601   -3.0817   36.4102  H     
17   H         7.4382   -2.2984   36.4366  H     
18   H         8.5384   -2.7071   35.1279  H     
19   H         7.2060   -5.3021   34.1428  H     
20   H         5.7587   -2.2250   34.6595  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    4 1
     4    2    3 1
     5    2    8 1
     6    4    5 2
     7    4    6 1
     8    4    7 1
     9    8    9 1
    10    9   10 1
    11    9   11 am
    12   11   12 2
    13    1   13 1
    14    2   14 1
    15    3   15 1
    16    3   16 1
    17    8   17 1
    18    8   18 1
    19   10   19 1
    20   11   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7314
  Crash		| -0.6318
  Polar		| 8.5181
  FragIndex	| 1
  FragRMSD	| 1.315