@<TRIPOS>MOLECULE
BindingDB_50069997
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P        45.5516   15.8492    5.3693  P     
2    C        46.3510   15.6213    3.9174  C     
3    C        46.1837    8.7130    0.9866  C     
4    P        46.7496    8.4510   -0.5621  P     
5    C        45.5970   10.0794    1.1811  C     
6    C        45.7270   14.5872    3.0660  C     
7    C        45.6592   12.3554    2.1454  C     
8    C        46.2176   11.0643    1.9869  C     
9    C        46.2594   13.3401    2.9434  C     
10   O        44.0387   16.1110    5.2171  O     
11   O        45.6890   14.7091    6.2381  O     
12   O        47.2812    7.1173   -0.6814  O     
13   C        44.4509   12.6812    1.4684  C     
14   C        44.3758   10.4189    0.5502  C     
15   C        44.5652   14.8766    2.3742  C     
16   F        47.6638   15.3628    4.2389  F     
17   F        46.4120   16.8239    3.2495  F     
18   F        47.2402    8.4674    1.8303  F     
19   F        45.2474    7.7577    1.3007  F     
20   O        46.1555   17.0203    6.1702  O     
21   O        45.6735    8.6137   -1.6544  O     
22   O        47.9080    9.4153   -0.8878  O     
23   C        43.8188   11.7044    0.6703  C     
24   C        43.9333   13.9730    1.6058  C     
25   H        47.1010   10.8420    2.4561  H     
26   H        47.0874   13.1041    3.4388  H     
27   H        43.8777    9.7269   -0.0191  H     
28   H        44.1582   15.7820    2.4457  H     
29   H        42.9552   11.9250    0.1644  H     
30   H        43.0928   14.2251    1.1406  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   10 1
     3    1   11 2
     4    1   20 1
     5    2    6 1
     6    2   16 1
     7    2   17 1
     8    3    4 1
     9    3    5 1
    10    3   18 1
    11    3   19 1
    12    4   12 2
    13    4   21 1
    14    4   22 1
    15    5    8 1
    16    5   14 2
    17    6    9 2
    18    6   15 1
    19    7    8 2
    20    7    9 1
    21    7   13 1
    22   13   23 2
    23   13   24 1
    24   14   23 1
    25   15   24 2
    26    8   25 1
    27    9   26 1
    28   14   27 1
    29   15   28 1
    30   23   29 1
    31   24   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5188
  Crash		| -0.8444
  Polar		| 5.5962
  FragIndex	| 1
  FragRMSD	| 0.840

@<TRIPOS>MOLECULE
BindingDB_50070000
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P        46.6861    8.5798   -0.4823  P     
2    P        45.5873   15.8396    5.3763  P     
3    C        46.3575   15.6553    3.9093  C     
4    C        45.8965    8.7736    0.9695  C     
5    C        45.3767   10.1633    1.1491  C     
6    C        45.7173   14.6525    3.0506  C     
7    C        45.5621   12.4282    2.1195  C     
8    C        46.1916   13.3793    2.9419  C     
9    C        46.0554   11.1116    1.9547  C     
10   O        45.6591    8.4957   -1.6333  O     
11   O        47.6470    9.7526   -0.7994  O     
12   O        46.1775   17.0160    6.1734  O     
13   O        44.0783   16.1208    5.2129  O     
14   O        47.4540    7.3518   -0.5070  O     
15   O        45.7171   14.6811    6.2225  O     
16   C        44.3821   12.8163    1.4230  C     
17   C        44.5929   15.0030    2.3234  C     
18   C        44.1928   10.5651    0.4915  C     
19   C        43.9251   14.1239    1.5549  C     
20   C        43.7077   11.8779    0.6096  C     
21   F        46.7241    8.4035    2.0014  F     
22   F        47.6868   15.4097    4.1540  F     
23   H        46.3370   16.6287    3.4184  H     
24   H        45.0722    8.0614    0.9795  H     
25   H        46.9891   13.1012    3.4664  H     
26   H        46.9292   10.8441    2.4192  H     
27   H        44.2468   15.9314    2.3706  H     
28   H        43.6743    9.9052   -0.0931  H     
29   H        43.1080   14.4222    1.0693  H     
30   H        42.8662   12.1507    0.0946  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   10 1
     3    1   11 1
     4    1   14 2
     5    2    3 1
     6    2   12 1
     7    2   13 1
     8    2   15 2
     9    3    6 1
    10    3   22 1
    11    4    5 1
    12    4   21 1
    13    5    9 1
    14    5   18 2
    15    6    8 2
    16    6   17 1
    17    7    8 1
    18    7    9 2
    19    7   16 1
    20   16   19 1
    21   16   20 2
    22   17   19 2
    23   18   20 1
    24    3   23 1
    25    4   24 1
    26    8   25 1
    27    9   26 1
    28   17   27 1
    29   18   28 1
    30   19   29 1
    31   20   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5421
  Crash		| -0.5793
  Polar		| 5.5390
  FragIndex	| 1
  FragRMSD	| 0.848

@<TRIPOS>MOLECULE
BindingDB_50070001
 24 25 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        46.2884   15.4426    3.8081  C     
2    P        45.6095   15.7650    5.3080  P     
3    C        45.3835   14.7095    2.8807  C     
4    C        45.5215   13.3504    2.4338  C     
5    O        46.2483   16.9677    6.0348  O     
6    O        44.0991   16.0540    5.2457  O     
7    O        45.7533   14.6639    6.2237  O     
8    F        47.5010   14.8337    4.0303  F     
9    F        46.6803   16.6543    3.2788  F     
10   C        44.5516   12.8402    1.5009  C     
11   C        44.3288   15.4235    2.3936  C     
12   C        46.5354   12.4367    2.8320  C     
13   C        43.4232   14.9169    1.5204  C     
14   C        43.5232   13.6649    1.0699  C     
15   C        44.6103   11.5203    1.0136  C     
16   C        46.6038   11.1235    2.3197  C     
17   C        45.6383   10.6559    1.4169  C     
18   H        44.2003   16.3777    2.6573  H     
19   H        47.2405   12.7052    3.5178  H     
20   H        42.6710   15.4934    1.2106  H     
21   H        42.8436   13.3338    0.4221  H     
22   H        43.9059   11.1579    0.3607  H     
23   H        47.3536   10.4934    2.6106  H     
24   H        45.6786    9.6966    1.0641  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    8 1
     4    1    9 1
     5    2    5 1
     6    2    6 1
     7    2    7 2
     8    3    4 1
     9    3   11 2
    10    4   10 1
    11    4   12 2
    12   10   14 1
    13   10   15 2
    14   11   13 1
    15   12   16 1
    16   13   14 2
    17   15   17 1
    18   16   17 2
    19   11   18 1
    20   12   19 1
    21   13   20 1
    22   14   21 1
    23   15   22 1
    24   16   23 1
    25   17   24 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6890
  Crash		| -1.2373
  Polar		| 5.5054
  FragIndex	| 1
  FragRMSD	| 1.363

@<TRIPOS>MOLECULE
BindingDB_50070003
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P        44.1308    8.6310   -1.5468  P     
2    C        43.6557   10.1900   -1.1794  C     
3    C        46.3541   15.6502    3.9673  C     
4    P        45.5455   15.8812    5.4052  P     
5    C        45.6289   14.7127    3.0487  C     
6    C        44.1236   10.8960    0.0408  C     
7    C        45.9833   13.3438    2.9310  C     
8    C        43.7019   12.1738    0.2391  C     
9    O        45.5673    8.3195   -1.0813  O     
10   C        44.2755   13.0051    1.2069  C     
11   C        45.3199   12.4880    2.0197  C     
12   O        43.2190    7.6592   -1.0007  O     
13   O        44.1371   16.1228    5.2364  O     
14   C        44.5483   15.1864    2.2638  C     
15   C        45.0614   10.3827    0.9287  C     
16   F        42.2801   10.1381   -1.1851  F     
17   F        44.0306   10.9474   -2.2679  F     
18   F        47.6258   15.2200    4.2679  F     
19   F        46.5444   16.8740    3.3647  F     
20   O        44.1072    8.4154   -3.0749  O     
21   O        45.6844   14.6574    6.3287  O     
22   O        46.1224   17.0732    6.1900  O     
23   C        45.6616   11.1415    1.8699  C     
24   C        43.8820   14.3505    1.3537  C     
25   H        46.7411   12.9666    3.5067  H     
26   H        43.0188   12.5677   -0.3691  H     
27   H        44.2461   16.1613    2.3362  H     
28   H        45.3139    9.4252    0.8919  H     
29   H        46.3445   10.7307    2.4650  H     
30   H        43.1233   14.7382    0.7857  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    9 1
     3    1   12 2
     4    1   20 1
     5    2    6 1
     6    2   16 1
     7    2   17 1
     8    3    4 1
     9    3    5 1
    10    3   18 1
    11    3   19 1
    12    4   13 2
    13    4   21 1
    14    4   22 1
    15    5    7 1
    16    5   14 2
    17    6    8 2
    18    6   15 1
    19    7   11 2
    20    8   10 1
    21   10   11 1
    22   10   24 2
    23   11   23 1
    24   14   24 1
    25   15   23 2
    26    7   25 1
    27    8   26 1
    28   14   27 1
    29   15   28 1
    30   23   29 1
    31   24   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 10.2055
  Crash		| -1.0596
  Polar		| 7.1613
  FragIndex	| 1
  FragRMSD	| 0.851

@<TRIPOS>MOLECULE
BindingDB_50070004
 25 26 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P        45.5889   15.9280    5.3977  P     
2    C        46.4032   15.7125    3.9606  C     
3    C        45.6986   14.7971    3.0380  C     
4    C        43.9614   14.4883    1.4031  C     
5    C        44.6483   15.2712    2.2636  C     
6    C        46.0084   13.4748    2.9608  C     
7    C        45.3432   12.6134    2.0800  C     
8    C        44.2902   13.1335    1.2737  C     
9    O        44.0828   16.1730    5.2158  O     
10   O        45.7108   14.6880    6.2985  O     
11   O        46.1355   17.0260    6.1682  O     
12   F        47.6779   15.3004    4.2775  F     
13   F        46.6085   16.9394    3.3718  F     
14   O        42.9810   15.0217    0.6786  O     
15   C        45.6856   11.2416    1.9878  C     
16   C        43.6164   12.2679    0.3816  C     
17   C        45.0087   10.4030    1.0896  C     
18   C        43.9758   10.9110    0.2880  C     
19   H        44.3864   16.2298    2.3276  H     
20   H        46.7374   13.1095    3.5318  H     
21   H        42.4283   15.5357    1.3068  H     
22   H        46.4416   10.8556    2.5626  H     
23   H        42.8661   12.6162   -0.2182  H     
24   H        45.2672    9.4175    1.0243  H     
25   H        43.4877   10.2984   -0.3666  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    9 1
     3    1   10 1
     4    1   11 2
     5    2    3 1
     6    2   12 1
     7    2   13 1
     8    3    5 1
     9    3    6 2
    10    4    5 2
    11    4    8 1
    12    4   14 1
    13    6    7 1
    14    7    8 1
    15    7   15 2
    16    8   16 2
    17   15   17 1
    18   16   18 1
    19   17   18 2
    20    5   19 1
    21    6   20 1
    22   14   21 1
    23   15   22 1
    24   16   23 1
    25   17   24 1
    26   18   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.1304
  Crash		| -0.6279
  Polar		| 5.5995
  FragIndex	| 1
  FragRMSD	| 0.211

@<TRIPOS>MOLECULE
BindingDB_50075312
 24 25 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        46.4019   15.6028    3.9224  C     
2    P        45.6103   15.8406    5.3750  P     
3    C        45.7249   14.5990    3.0589  C     
4    C        46.1883   13.3379    2.9250  C     
5    O        45.7585   14.7326    6.2723  O     
6    C        45.5367   12.3905    2.1141  C     
7    C        44.5589   14.9515    2.3779  C     
8    F        47.7110   15.2802    4.2232  F     
9    F        46.5077   16.8102    3.2587  F     
10   O        46.1684   17.0546    6.1332  O     
11   O        44.1007   16.0478    5.2239  O     
12   C        44.3538   12.7867    1.4261  C     
13   C        43.8931   14.0921    1.5891  C     
14   C        46.0305   11.0821    1.9585  C     
15   C        43.6876   11.8559    0.5933  C     
16   C        45.3573   10.1608    1.1278  C     
17   C        44.1916   10.5503    0.4506  C     
18   H        47.0019   13.0506    3.4234  H     
19   H        44.1886   15.8715    2.4809  H     
20   H        43.0657   14.3977    1.1264  H     
21   H        46.8829   10.7820    2.4362  H     
22   H        42.8449   12.1242    0.0832  H     
23   H        45.7274    9.2114    1.0161  H     
24   H        43.7056    9.8791   -0.1537  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    8 1
     4    1    9 1
     5    2    5 2
     6    2   10 1
     7    2   11 1
     8    3    4 2
     9    3    7 1
    10    4    6 1
    11    6   12 1
    12    6   14 2
    13    7   13 2
    14   12   13 1
    15   12   15 2
    16   14   16 1
    17   15   17 1
    18   16   17 2
    19    4   18 1
    20    7   19 1
    21   13   20 1
    22   14   21 1
    23   15   22 1
    24   16   23 1
    25   17   24 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4545
  Crash		| -0.6000
  Polar		| 5.6482
  FragIndex	| 1
  FragRMSD	| 0.822

@<TRIPOS>MOLECULE
BindingDB_50102186
 18 18 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P        45.5586   15.8865    5.3522  P     
2    C        46.3502   15.6713    3.9024  C     
3    O        44.1459   16.1205    5.2063  O     
4    C        45.6853   14.6266    3.0562  C     
5    F        47.6651   15.3692    4.1900  F     
6    F        46.4108   16.8759    3.2408  F     
7    O        45.7138   14.6572    6.2751  O     
8    O        46.1340   17.0683    6.1450  O     
9    C        44.5570   14.9524    2.2653  C     
10   C        46.1244   13.2817    3.0466  C     
11   C        43.9043   13.9807    1.4802  C     
12   C        45.4682   12.3076    2.2634  C     
13   C        44.3624   12.6584    1.4771  C     
14   H        44.1870   15.9114    2.2607  H     
15   H        46.9139   12.9856    3.6210  H     
16   H        43.0910   14.2419    0.9197  H     
17   H        45.8012   11.3361    2.2766  H     
18   H        43.8817   11.9490    0.9163  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    7 1
     4    1    8 1
     5    2    4 1
     6    2    5 1
     7    2    6 1
     8    4    9 1
     9    4   10 2
    10    9   11 2
    11   10   12 1
    12   11   13 1
    13   12   13 2
    14    9   14 1
    15   10   15 1
    16   11   16 1
    17   12   17 1
    18   13   18 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0804
  Crash		| -0.3872
  Polar		| 5.6519
  FragIndex	| 1
  FragRMSD	| 0.953

@<TRIPOS>MOLECULE
BindingDB_50103227
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        46.4216   15.7111    3.9460  C     
2    P        45.5758   15.8905    5.3746  P     
3    C        45.7633   14.7208    3.0345  C     
4    C        43.5328    9.6857   -0.4746  C     
5    C        44.1911   10.5980    0.3924  C     
6    C        46.1992   13.3716    2.9375  C     
7    C        43.7562   11.9390    0.4988  C     
8    C        45.5439   12.4424    2.1002  C     
9    C        44.4150   12.8617    1.3392  C     
10   O        44.1638   16.1242    5.2075  O     
11   C        44.6499   15.1109    2.2563  C     
12   F        47.7154   15.3666    4.2739  F     
13   F        46.5304   16.9389    3.3365  F     
14   O        43.8531    8.3731   -0.5102  O     
15   C        45.3064   10.1913    1.1632  C     
16   O        45.6999   14.6395    6.2639  O     
17   O        46.1434   17.0497    6.2147  O     
18   C        43.9794   14.1994    1.4291  C     
19   C        45.9817   11.1045    1.9961  C     
20   O        42.5395   10.0745   -1.3095  O     
21   H        47.0001   13.0546    3.4914  H     
22   H        42.9425   12.2592   -0.0412  H     
23   H        44.3114   16.0767    2.2859  H     
24   H        45.6487    9.2310    1.1171  H     
25   H        43.1666   14.5170    0.8926  H     
26   H        46.7958   10.7803    2.5223  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1   12 1
     4    1   13 1
     5    2   10 2
     6    2   16 1
     7    2   17 1
     8    3    6 2
     9    3   11 1
    10    4    5 1
    11    4   14 2
    12    4   20 1
    13    5    7 2
    14    5   15 1
    15    6    8 1
    16    7    9 1
    17    8    9 2
    18    8   19 1
    19    9   18 1
    20   11   18 2
    21   15   19 2
    22    6   21 1
    23    7   22 1
    24   11   23 1
    25   15   24 1
    26   18   25 1
    27   19   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5117
  Crash		| -0.7166
  Polar		| 5.7313
  FragIndex	| 1
  FragRMSD	| 1.054

@<TRIPOS>MOLECULE
BindingDB_50107745
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P        45.5604   15.8737    5.3558  P     
2    P        46.8807    8.4675   -0.3597  P     
3    C        46.1828    8.7254    1.1305  C     
4    C        46.3603   15.6696    3.9066  C     
5    C        45.5898   10.0982    1.2561  C     
6    C        45.7384   14.6360    3.0508  C     
7    C        45.6711   12.4026    2.1454  C     
8    C        46.2317   11.1162    2.0047  C     
9    C        46.2695   13.3916    2.9347  C     
10   O        45.6746   14.6267    6.2488  O     
11   O        45.8884    8.7097   -1.5127  O     
12   O        48.0914    9.4013   -0.5562  O     
13   O        46.1599   17.0282    6.1779  O     
14   O        47.3566    7.1116   -0.4726  O     
15   O        44.1544   16.1362    5.1996  O     
16   C        44.4555   12.7133    1.4731  C     
17   C        44.3698   10.4267    0.6092  C     
18   C        44.5646   14.9178    2.3628  C     
19   F        47.6806   15.4166    4.2113  F     
20   F        46.4028   16.8897    3.2662  F     
21   F        47.1460    8.4806    2.0874  F     
22   F        45.2333    7.7525    1.3401  F     
23   C        43.9360   13.9988    1.6015  C     
24   C        43.8164   11.7167    0.7069  C     
25   H        47.1300   10.9171    2.4515  H     
26   H        47.0890   13.1548    3.4409  H     
27   H        43.8695    9.7213    0.0601  H     
28   H        44.1592   15.8224    2.4226  H     
29   H        43.0961   14.2482    1.1307  H     
30   H        42.9408   11.9224    0.2179  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   10 1
     3    1   13 1
     4    1   15 2
     5    2    3 1
     6    2   11 1
     7    2   12 1
     8    2   14 2
     9    3    5 1
    10    3   21 1
    11    3   22 1
    12    4    6 1
    13    4   19 1
    14    4   20 1
    15    5    8 1
    16    5   17 2
    17    6    9 2
    18    6   18 1
    19    7    8 2
    20    7    9 1
    21    7   16 1
    22   16   23 1
    23   16   24 2
    24   17   24 1
    25   18   23 2
    26    8   25 1
    27    9   26 1
    28   17   27 1
    29   18   28 1
    30   23   29 1
    31   24   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5039
  Crash		| -0.8685
  Polar		| 5.6088
  FragIndex	| 1
  FragRMSD	| 0.852

@<TRIPOS>MOLECULE
BindingDB_50239833
 25 26 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.6293   15.0493    2.0994  C     
2    C        45.7368   14.6967    2.9271  C     
3    C        46.1869   13.3516    2.8860  C     
4    C        43.9669   14.0738    1.3328  C     
5    C        44.4057   12.7380    1.3251  C     
6    C        45.5508   12.3793    2.0882  C     
7    C        46.0158   11.0571    2.0092  C     
8    C        45.3795   10.1449    1.2382  C     
9    C        44.2395   10.4929    0.5453  C     
10   C        43.7615   11.7521    0.5725  C     
11   C        46.4169   15.6800    3.8473  C     
12   P        45.5818   15.8731    5.2886  P     
13   O        45.7432   14.6492    6.2198  O     
14   O        44.1585   16.0689    5.1414  O     
15   O        46.1215   17.0564    6.1247  O     
16   F        47.7031   15.3123    4.1828  F     
17   F        46.6174   16.9030    3.2465  F     
18   Br       43.9370   16.7748    1.9422  Br    
19   C        45.8458    8.9577    1.1404  C     
20   N        46.2785    7.8984    1.0476  N     
21   H        46.9802   13.0647    3.4659  H     
22   H        43.1549   14.3429    0.7701  H     
23   H        46.8447   10.8105    2.5050  H     
24   H        43.7468    9.8149    0.0030  H     
25   H        42.9441   11.9755    0.0495  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   18 1
     4    2    3 1
     5    2   11 1
     6    3    6 2
     7    4    5 2
     8    5    6 1
     9    5   10 1
    10    6    7 1
    11    7    8 2
    12    8    9 1
    13    8   19 1
    14    9   10 2
    15   11   12 1
    16   11   16 1
    17   11   17 1
    18   12   13 1
    19   12   14 2
    20   12   15 1
    21   19   20 3
    22    3   21 1
    23    4   22 1
    24    7   23 1
    25    9   24 1
    26   10   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6603
  Crash		| -0.8325
  Polar		| 5.6925
  FragIndex	| 1
  FragRMSD	| 0.838