@<TRIPOS>MOLECULE
BindingDB_50131912
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        33.2643   24.0549   85.7668  N     
2    C        33.6400   23.3114   84.7052  C     
3    N        34.9279   23.1940   84.3929  N     
4    C        31.8696   24.1812   86.1712  C     
5    C        34.2418   24.6649   86.5072  C     
6    C        35.5560   24.5579   86.2050  C     
7    C        35.8764   23.7913   85.1090  C     
8    P        31.0970   26.7189   91.3882  P     
9    O        31.5482   25.5160   86.5936  O     
10   C        30.6955   25.4747   87.7492  C     
11   C        31.5046   23.2387   87.3361  C     
12   C        30.3764   23.9845   88.0727  C     
13   O        32.8530   22.7015   83.9938  O     
14   O        30.4939   26.2322   90.0402  O     
15   C        31.3959   26.2095   88.9174  C     
16   O        32.3162   25.8663   91.7943  O     
17   O        31.4902   28.2087   91.3302  O     
18   O        30.0891   26.5507   92.4018  O     
19   O        37.0331   23.6166   84.7554  O     
20   C        36.5855   25.2278   86.9966  C     
21   C        28.9509   23.5596   87.6335  C     
22   F        28.0043   24.0232   88.5160  F     
23   H        35.1849   22.6541   83.6250  H     
24   H        31.1896   23.9695   85.3379  H     
25   H        33.9831   25.2080   87.2990  H     
26   H        29.7870   26.0321   87.5027  H     
27   H        31.2041   22.2518   86.9748  H     
28   H        32.3573   23.1124   88.0115  H     
29   H        30.4578   23.7710   89.1444  H     
30   H        32.3217   25.6775   89.1552  H     
31   H        31.6447   27.2276   88.6020  H     
32   H        37.1263   25.9388   86.3693  H     
33   H        37.2905   24.4908   87.3866  H     
34   H        36.1790   25.7801   87.8463  H     
35   H        28.7224   23.9549   86.6439  H     
36   H        28.8794   22.4705   87.6090  H     
@<TRIPOS>BOND
     1    1    2 1
     2    4    1 1
     3    1    5 1
     4    2    3 1
     5    2   13 2
     6    3    7 1
     7    4    9 1
     8    4   11 1
     9    5    6 2
    10    6    7 1
    11    6   20 1
    12    7   19 2
    13    8   14 1
    14    8   16 1
    15    8   17 1
    16    8   18 2
    17    9   10 1
    18   10   12 1
    19   10   15 1
    20   11   12 1
    21   12   21 1
    22   14   15 1
    23   21   22 1
    24    3   23 1
    25    4   24 1
    26    5   25 1
    27   10   26 1
    28   11   27 1
    29   11   28 1
    30   12   29 1
    31   15   30 1
    32   15   31 1
    33   20   32 1
    34   20   33 1
    35   20   34 1
    36   21   35 1
    37   21   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2506
  Crash		| -0.8420
  Polar		| 4.6438
  FragIndex	| 1
  FragRMSD	| 0.609

@<TRIPOS>MOLECULE
BindingDB_50131914
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        33.2271   24.0618   85.7529  N     
2    C        33.6010   23.3235   84.6864  C     
3    N        34.8900   23.1961   84.3806  N     
4    C        31.8326   24.1727   86.1628  C     
5    C        34.2084   24.6492   86.5087  C     
6    C        35.5234   24.5292   86.2146  C     
7    C        35.8418   23.7708   85.1117  C     
8    P        31.0340   26.5695   91.5029  P     
9    O        31.5307   25.4679   86.7020  O     
10   C        30.6769   25.3437   87.8476  C     
11   C        31.4580   23.1254   87.2315  C     
12   C        30.4251   23.8312   88.1316  C     
13   O        32.8098   22.7388   83.9602  O     
14   O        30.4529   26.0182   90.1698  O     
15   C        31.3349   26.0925   89.0321  C     
16   O        32.3175   25.8141   91.9012  O     
17   O        31.2976   28.0854   91.4132  O     
18   O        30.0541   26.3571   92.5371  O     
19   O        36.9993   23.5895   84.7629  O     
20   C        36.5551   25.1683   87.0292  C     
21   N        28.0604   23.8652   88.9423  N     
22   C        28.9551   23.3982   87.8745  C     
23   H        35.1453   22.6671   83.6048  H     
24   H        31.1576   24.0553   85.3074  H     
25   H        33.9530   25.1777   87.3122  H     
26   H        29.7456   25.8635   87.6034  H     
27   H        31.0692   22.2164   86.7673  H     
28   H        32.3333   22.8533   87.8271  H     
29   H        30.6537   23.5755   89.1730  H     
30   H        32.3059   25.6285   89.2405  H     
31   H        31.4997   27.1359   88.7415  H     
32   H        37.1468   25.8438   86.4112  H     
33   H        37.2111   24.4085   87.4570  H     
34   H        36.1440   25.7551   87.8520  H     
35   H        28.3859   23.5052   89.8449  H     
36   H        27.1109   23.5244   88.7685  H     
37   H        28.0535   24.8893   88.9679  H     
38   H        28.6057   23.7975   86.9209  H     
39   H        28.8886   22.3101   87.8437  H     
@<TRIPOS>BOND
     1    1    2 1
     2    4    1 1
     3    1    5 1
     4    2    3 1
     5    2   13 2
     6    3    7 1
     7    4    9 1
     8    4   11 1
     9    5    6 2
    10    6    7 1
    11    6   20 1
    12    7   19 2
    13    8   14 1
    14    8   16 1
    15    8   17 1
    16    8   18 2
    17    9   10 1
    18   10   12 1
    19   10   15 1
    20   11   12 1
    21   12   22 1
    22   14   15 1
    23   21   22 1
    24    3   23 1
    25    4   24 1
    26    5   25 1
    27   10   26 1
    28   11   27 1
    29   11   28 1
    30   12   29 1
    31   15   30 1
    32   15   31 1
    33   20   32 1
    34   20   33 1
    35   20   34 1
    36   21   35 1
    37   21   36 1
    38   21   37 1
    39   22   38 1
    40   22   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5734
  Crash		| -0.8017
  Polar		| 4.6342
  FragIndex	| 1
  FragRMSD	| 0.548

@<TRIPOS>MOLECULE
BindingDB_50132286
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        33.2307   24.0143   85.6728  N     
2    C        33.6296   23.2594   84.6289  C     
3    N        34.9221   23.1557   84.3409  N     
4    C        31.8298   24.0976   86.0624  C     
5    C        34.1833   24.6423   86.4258  C     
6    C        35.5027   24.5592   86.1413  C     
7    C        35.8493   23.7699   85.0674  C     
8    P        30.8869   26.2790   91.3207  P     
9    O        31.5091   25.3277   86.7251  O     
10   C        31.4597   22.9789   87.0597  C     
11   C        30.3791   25.1148   87.5960  C     
12   C        30.3540   23.5939   87.9379  C     
13   C        30.4793   26.1338   88.7854  C     
14   O        32.8530   22.6341   83.9145  O     
15   O        30.2491   25.5431   90.1026  O     
16   O        30.9833   27.8230   91.1785  O     
17   O        30.0722   25.9492   92.5843  O     
18   O        32.2056   25.7252   91.5348  O     
19   O        37.0130   23.5928   84.7421  O     
20   C        36.5050   25.2974   86.9096  C     
21   O        29.0767   23.0134   87.6595  O     
22   O        37.4769   24.4079   87.4538  O     
23   H        35.1945   22.6083   83.5883  H     
24   H        31.1633   24.0328   85.1895  H     
25   H        33.9059   25.1768   87.2208  H     
26   H        31.1184   22.0764   86.5335  H     
27   H        32.3180   22.7136   87.6877  H     
28   H        29.4855   25.3562   87.0013  H     
29   H        30.5937   23.3907   88.9962  H     
30   H        31.4547   26.6648   88.7174  H     
31   H        29.6789   26.8988   88.6451  H     
32   H        37.0027   26.0176   86.2612  H     
33   H        36.0729   25.8510   87.7430  H     
34   H        28.4524   23.4797   88.2531  H     
35   H        38.1360   24.9912   87.8874  H     
@<TRIPOS>BOND
     1    1    2 1
     2    4    1 1
     3    1    5 1
     4    2    3 1
     5    2   14 2
     6    3    7 1
     7    4    9 1
     8    4   10 1
     9    5    6 2
    10    6    7 1
    11    6   20 1
    12    7   19 2
    13    8   15 1
    14    8   16 1
    15    8   17 1
    16    8   18 2
    17    9   11 1
    18   10   12 1
    19   11   12 1
    20   11   13 1
    21   12   21 1
    22   13   15 1
    23   20   22 1
    24    3   23 1
    25    4   24 1
    26    5   25 1
    27   10   26 1
    28   10   27 1
    29   11   28 1
    30   12   29 1
    31   13   30 1
    32   13   31 1
    33   20   32 1
    34   20   33 1
    35   21   34 1
    36   22   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5597
  Crash		| -0.8298
  Polar		| 4.6604
  FragIndex	| 1
  FragRMSD	| 0.798

@<TRIPOS>MOLECULE
BindingDB_50332929
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P        30.8270   26.3321   91.4887  P     
2    O        29.7925   26.1202   92.4676  O     
3    O        32.0891   25.5806   91.9590  O     
4    O        31.1112   27.8462   91.4141  O     
5    O        30.3074   25.7902   90.1257  O     
6    C        31.2507   25.8271   89.0359  C     
7    C        30.5893   25.2062   87.7811  C     
8    O        31.4639   25.4028   86.6583  O     
9    C        30.3007   23.6881   87.9065  C     
10   O        29.0077   23.3649   87.3973  O     
11   C        31.4164   23.0405   87.0800  C     
12   C        31.8044   24.1377   86.0668  C     
13   N        33.2047   24.0396   85.6737  N     
14   C        33.5929   23.2688   84.6359  C     
15   O        32.8132   22.6297   83.9401  O     
16   N        34.8815   23.1656   84.3257  N     
17   C        35.8213   23.7848   85.0344  C     
18   O        36.9812   23.6189   84.6864  O     
19   C        35.4893   24.5670   86.1154  C     
20   C        36.5135   25.2649   86.8953  C     
21   C        34.1725   24.6735   86.4073  C     
22   H        31.5404   26.8569   88.7996  H     
23   H        32.1511   25.2525   89.2799  H     
24   H        29.6634   25.7544   87.5797  H     
25   H        30.3478   23.3292   88.9377  H     
26   H        28.8423   24.0045   86.6730  H     
27   H        32.2610   22.7989   87.7309  H     
28   H        31.0835   22.1258   86.5809  H     
29   H        31.1511   24.0542   85.1894  H     
30   H        35.1464   22.6239   83.5616  H     
31   H        37.2248   24.5429   87.3051  H     
32   H        36.1016   25.8306   87.7336  H     
33   H        37.0478   25.9683   86.2522  H     
34   H        33.9083   25.2229   87.1924  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    1    5 1
     5    5    6 1
     6    7    6 1
     7    7    8 1
     8    7    9 1
     9    8   12 1
    10    9   10 1
    11    9   11 1
    12   11   12 1
    13   12   13 1
    14   13   14 1
    15   13   21 1
    16   14   15 2
    17   14   16 1
    18   16   17 1
    19   17   18 2
    20   17   19 1
    21   19   20 1
    22   19   21 2
    23    6   22 1
    24    6   23 1
    25    7   24 1
    26    9   25 1
    27   10   26 1
    28   11   27 1
    29   11   28 1
    30   12   29 1
    31   16   30 1
    32   20   31 1
    33   20   32 1
    34   20   33 1
    35   21   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8002
  Crash		| -0.8605
  Polar		| 4.6790
  FragIndex	| 1
  FragRMSD	| 0.499