@<TRIPOS>MOLECULE
BindingDB_50298711
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O       -30.1393  -27.6781   19.1293  O     
2    C       -31.2240  -26.8930   19.6210  C     
3    C       -31.2682  -25.4782   18.9758  C     
4    C       -32.2655  -25.3639   17.8052  C     
5    O       -33.6288  -25.2725   18.2114  O     
6    C       -31.7433  -24.1278   17.0448  C     
7    C       -30.2351  -24.0809   17.4472  C     
8    O       -30.0126  -25.1267   18.4064  O     
9    N       -29.2743  -24.2893   16.3718  N     
10   C       -28.2901  -23.4074   16.0912  C     
11   O       -28.1798  -22.3123   16.6266  O     
12   N       -27.3454  -23.7147   15.2077  N     
13   C       -27.3323  -24.9007   14.5522  C     
14   N       -26.3344  -25.1552   13.6915  N     
15   C       -28.3479  -25.8089   14.7923  C     
16   C       -29.2938  -25.4770   15.6897  C     
17   P       -32.8438  -22.1880   18.5363  P     
18   O       -31.7095  -21.4179   18.9844  O     
19   O       -32.5399  -22.9242   17.1904  O     
20   O       -33.9264  -21.1443   18.2178  O     
21   O       -33.3931  -23.0743   19.6816  O     
22   H       -29.3377  -27.2746   19.5224  H     
23   H       -32.1380  -27.4598   19.4282  H     
24   H       -31.1219  -26.8017   20.7049  H     
25   H       -31.4948  -24.7192   19.7395  H     
26   H       -32.1752  -26.2394   17.1556  H     
27   H       -33.8349  -26.1324   18.6487  H     
28   H       -31.8205  -24.3509   15.9757  H     
29   H       -30.0473  -23.1485   17.9740  H     
30   H       -26.3008  -25.9956   13.2091  H     
31   H       -25.6334  -24.4975   13.5568  H     
32   H       -28.3695  -26.6865   14.3246  H     
33   H       -30.0086  -26.1481   15.8657  H     
@<TRIPOS>BOND
     1    1    2 1
     2    3    2 1
     3    3    4 1
     4    3    8 1
     5    4    5 1
     6    4    6 1
     7    6    7 1
     8    6   19 1
     9    7    8 1
    10    7    9 1
    11    9   10 1
    12    9   16 1
    13   10   11 2
    14   10   12 1
    15   12   13 2
    16   13   14 1
    17   13   15 1
    18   15   16 2
    19   17   18 2
    20   17   19 1
    21   17   20 1
    22   17   21 1
    23    1   22 1
    24    2   23 1
    25    2   24 1
    26    3   25 1
    27    4   26 1
    28    5   27 1
    29    6   28 1
    30    7   29 1
    31   14   30 1
    32   14   31 1
    33   15   32 1
    34   16   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.7059
  Crash		| -0.5344
  Polar		| 1.3080
  FragIndex	| 1
  FragRMSD	| 1.324