@<TRIPOS>MOLECULE
BindingDB_50233301
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        20.5838    2.2901   21.6950  O     
2    C        20.2276    3.2049   20.6638  C     
3    C        19.8247    4.5816   21.2481  C     
4    C        18.5790    5.2193   20.5875  C     
5    O        17.4232    4.9085   21.4040  O     
6    C        18.9430    6.7251   20.5416  C     
7    O        17.9553    7.5839   21.1139  O     
8    C        20.2658    6.8335   21.3360  C     
9    O        20.8669    5.5522   21.0764  O     
10   N        21.2210    7.9238   21.1412  N     
11   C        21.0368    8.9999   20.3383  C     
12   O        20.0901    9.1680   19.5868  O     
13   N        21.8754   10.0321   20.3879  N     
14   C        22.9477   10.0481   21.2178  C     
15   N        23.7121   11.1517   21.2843  N     
16   C        23.1900    8.9447   22.0135  C     
17   C        22.3276    7.9139   21.9525  C     
18   P        16.1814    4.2835   20.6980  P     
19   O        16.2148    2.7432   20.7829  O     
20   O        16.0459    4.6954   19.3227  O     
21   O        14.9233    4.7568   21.4533  O     
22   H        21.4393    2.6104   22.0436  H     
23   H        21.0718    3.3172   19.9780  H     
24   H        19.3881    2.7726   20.1149  H     
25   H        19.6507    4.4475   22.3228  H     
26   H        18.4946    4.8407   19.5599  H     
27   H        19.1132    7.0034   19.4980  H     
28   H        17.1698    7.4959   20.5386  H     
29   H        19.9974    6.8754   22.4021  H     
30   H        24.4471   11.2132   21.9181  H     
31   H        23.5001   11.9165   20.7245  H     
32   H        23.9625    8.9242   22.6380  H     
33   H        22.5037    7.1412   22.5557  H     
@<TRIPOS>BOND
     1    1    2 1
     2    3    2 1
     3    3    4 1
     4    3    9 1
     5    4    5 1
     6    4    6 1
     7    5   18 1
     8    6    7 1
     9    6    8 1
    10    8    9 1
    11    8   10 1
    12   10   11 1
    13   10   17 1
    14   11   12 2
    15   11   13 1
    16   13   14 2
    17   14   15 1
    18   14   16 1
    19   16   17 2
    20   18   19 1
    21   18   20 2
    22   18   21 1
    23    1   22 1
    24    2   23 1
    25    2   24 1
    26    3   25 1
    27    4   26 1
    28    6   27 1
    29    7   28 1
    30    8   29 1
    31   15   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.1068
  Crash		| -0.5841
  Polar		| 2.7798
  FragIndex	| 1
  FragRMSD	| 1.164

@<TRIPOS>MOLECULE
BindingDB_50310540
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.0635    3.4504   21.5377  C     
2    C        19.6204    4.9205   21.7653  C     
3    C        18.5602    5.4498   20.7628  C     
4    C        19.1283    6.8142   20.3296  C     
5    C        20.1908    7.1164   21.4084  C     
6    O        20.7390    5.8120   21.6457  O     
7    N        21.2605    8.0881   21.2255  N     
8    C        21.2699    9.0956   20.3231  C     
9    O        20.4344    9.2585   19.4481  O     
10   N        22.1996   10.0487   20.3858  N     
11   C        23.1829   10.0306   21.3215  C     
12   C        23.2440    8.9719   22.2046  C     
13   C        22.2858    8.0276   22.1355  C     
14   P        17.8406    2.3921   22.3644  P     
15   O        17.3764    3.6249   22.9397  O     
16   O        18.9612    2.5559   21.2917  O     
17   O        17.2790    5.5689   21.3799  O     
18   O        18.1540    7.8519   20.2574  O     
19   N        24.0525   11.0545   21.3991  N     
20   O        16.6568    1.7458   21.6201  O     
21   O        18.2811    1.4170   23.4731  O     
22   H        20.6837    3.4263   20.6389  H     
23   H        20.6892    3.1060   22.3668  H     
24   H        19.2456    5.0138   22.7922  H     
25   H        18.4638    4.7991   19.8929  H     
26   H        19.6070    6.6952   19.3560  H     
27   H        19.6451    7.4449   22.3070  H     
28   H        23.9650    8.9143   22.8850  H     
29   H        22.3330    7.2825   22.7965  H     
30   H        16.7455    4.8359   21.0124  H     
31   H        17.5548    7.5880   19.5269  H     
32   H        24.7389   11.0738   22.0917  H     
33   H        23.9615   11.8052   20.7872  H     
@<TRIPOS>BOND
     1    2    1 1
     2    1   16 1
     3    2    3 1
     4    2    6 1
     5    3    4 1
     6    3   17 1
     7    4    5 1
     8    4   18 1
     9    5    6 1
    10    5    7 1
    11    7    8 1
    12    7   13 1
    13    8    9 2
    14    8   10 1
    15   10   11 2
    16   11   12 1
    17   11   19 1
    18   12   13 2
    19   14   15 2
    20   14   16 1
    21   14   20 1
    22   14   21 1
    23    1   22 1
    24    1   23 1
    25    2   24 1
    26    3   25 1
    27    4   26 1
    28    5   27 1
    29   12   28 1
    30   13   29 1
    31   17   30 1
    32   18   31 1
    33   19   32 1
    34   19   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.4793
  Crash		| -0.9898
  Polar		| 1.9454
  FragIndex	| 1
  FragRMSD	| 1.348