@<TRIPOS>MOLECULE
BindingDB_50292722
 32 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O       -14.6130   53.3269    3.9260  O     
2    C       -14.0297   52.8591    5.1377  C     
3    C       -12.8540   51.8877    4.8566  C     
4    C       -12.4187   51.0587    6.0818  C     
5    O       -13.3584   49.9823    6.3271  O     
6    C       -11.0096   50.6315    5.6224  C     
7    O       -11.0611   49.4961    4.7445  O     
8    C       -10.5125   51.8866    4.8554  C     
9    O       -11.6867   52.6212    4.4519  O     
10   N        -9.5820   52.6786    5.6519  N     
11   C        -8.3119   52.2583    5.8507  C     
12   O        -7.8281   51.2703    5.3153  O     
13   N        -7.4880   52.9541    6.6358  N     
14   C        -7.8870   54.0629    7.2491  C     
15   C        -9.1509   54.5237    7.0731  C     
16   C        -9.9849   53.8184    6.2813  C     
17   P       -13.1472   49.1877    7.6537  P     
18   O       -13.2483   50.0328    8.9446  O     
19   O       -11.9261   48.4092    7.6782  O     
20   O       -14.2440   48.1054    7.7309  O     
21   O        -7.0900   54.6747    7.9546  O     
22   H       -13.9033   53.8394    3.4763  H     
23   H       -13.6834   53.7085    5.7266  H     
24   H       -14.8065   52.3278    5.7098  H     
25   H       -13.1436   51.2242    4.0257  H     
26   H       -12.3395   51.7355    6.9494  H     
27   H       -10.3771   50.3825    6.4833  H     
28   H       -10.8956   48.7190    5.3190  H     
29   H       -10.0248   51.5864    3.9151  H     
30   H        -6.5793   52.6507    6.7863  H     
31   H        -9.4724   55.3471    7.5223  H     
32   H       -10.9154   54.1541    6.1835  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   17 1
     8    6    7 1
     9    6    8 1
    10    8    9 1
    11    8   10 1
    12   10   11 1
    13   10   16 1
    14   11   12 2
    15   11   13 1
    16   13   14 1
    17   14   15 1
    18   14   21 2
    19   15   16 2
    20   17   18 1
    21   17   19 2
    22   17   20 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   13   30 1
    32   15   31 1
    33   16   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4443
  Crash		| -0.6968
  Polar		| 5.6114
  FragIndex	| 1
  FragRMSD	| 0.809