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


@<TRIPOS>ATOM
1    P        23.1638   28.7298   25.7491  P     
2    O        19.8509   27.6913   23.8667  O     
3    O        19.7083   25.3189   21.4227  O     
4    O        22.1380   25.1634   22.7072  O     
5    O        22.8701   27.2823   25.2522  O     
6    O        24.6728   28.7823   26.0324  O     
7    O        22.8388   29.8160   24.6942  O     
8    O        22.5197   29.0374   26.9983  O     
9    O        15.4959   31.1120   21.4650  O     
10   N        18.8181   28.6421   21.9696  N     
11   N        18.9224   30.6256   20.9972  N     
12   N        16.4224   28.4964   22.2347  N     
13   N        16.8022   32.3652   20.2816  N     
14   C        20.2803   26.5727   21.7977  C     
15   C        21.4354   26.3934   22.8019  C     
16   C        19.2424   27.4176   22.5935  C     
17   C        20.6888   26.5573   24.1419  C     
18   C        21.5526   26.7177   25.4310  C     
19   C        17.5542   29.1150   21.8309  C     
20   C        19.6268   29.5876   21.4597  C     
21   C        17.6224   30.3708   21.2287  C     
22   C        16.5981   31.2701   20.9722  C     
23   H        20.3695   24.8800   20.8439  H     
24   H        22.7429   25.3002   21.9472  H     
25   H        15.5444   28.8925   22.0894  H     
26   H        16.4701   27.6652   22.7341  H     
27   H        17.6675   32.5535   19.8950  H     
28   H        16.0795   32.9989   20.1578  H     
29   H        20.6391   27.0746   20.8947  H     
30   H        22.1506   27.2163   22.6890  H     
31   H        18.3712   26.7908   22.7971  H     
32   H        20.0413   25.6855   24.3252  H     
33   H        21.7444   25.7041   25.8246  H     
34   H        20.9561   27.2249   26.2106  H     
35   H        20.6502   29.5367   21.4206  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	| 8.9479
  Crash		| -0.6061
  Polar		| 10.6508
  FragIndex	| 1
  FragRMSD	| 0.448

@<TRIPOS>MOLECULE
BindingDB_22587
 33 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.0332   27.7028   21.4840  C     
2    N        16.4387   28.8431   21.0795  N     
3    N        18.1365   27.9645   22.2243  N     
4    C        17.1904   29.8449   21.5460  C     
5    C        16.9334   31.2000   21.4378  C     
6    C        18.2738   29.3080   22.2338  C     
7    O        15.8592   31.5648   20.9814  O     
8    N        17.7875   32.1185   21.8692  N     
9    S        19.2714   31.7327   22.5897  S     
10   O        20.4883   32.0699   21.6143  O     
11   O        19.3978   32.3762   24.0404  O     
12   N        19.2430   30.0624   22.8050  N     
13   C        18.9286   26.9615   22.8914  C     
14   C        20.7801   26.6748   24.2246  C     
15   C        21.2826   26.4321   22.7873  C     
16   C        19.9824   26.3003   21.9729  C     
17   O        19.6316   24.9452   21.6935  O     
18   O        22.1470   25.2875   22.7234  O     
19   O        19.6155   27.4963   24.0408  O     
20   C        21.8302   27.3864   25.1270  C     
21   O        21.5403   28.7687   25.3389  O     
22   H        16.6581   26.7656   21.2904  H     
23   H        17.5592   33.0627   21.7804  H     
24   H        19.9645   29.6324   23.2866  H     
25   H        18.2177   26.1986   23.2607  H     
26   H        20.4972   25.7214   24.6976  H     
27   H        21.8397   27.3238   22.4287  H     
28   H        20.0860   26.8315   21.0200  H     
29   H        20.2278   24.6664   20.9596  H     
30   H        22.7221   25.4811   21.9512  H     
31   H        21.8759   26.8920   26.1107  H     
32   H        22.8357   27.3463   24.6857  H     
33   H        20.9875   28.7860   26.1721  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    1   22 1
    25    8   23 1
    26   12   24 1
    27   13   25 1
    28   14   26 1
    29   15   27 1
    30   16   28 1
    31   17   29 1
    32   18   30 1
    33   20   31 1
    34   20   32 1
    35   21   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7076
  Crash		| -0.3288
  Polar		| 4.4835
  FragIndex	| 1
  FragRMSD	| 1.449