@<TRIPOS>MOLECULE
BindingDB_22588
 36 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.9016    9.8924   20.6600  C     
2    N        21.3749   11.1235   20.9227  N     
3    N        21.6848    8.9463   21.2347  N     
4    C        22.4673   10.9708   21.6772  C     
5    C        23.2762   11.9649   22.1808  C     
6    C        22.6700    9.6073   21.8867  C     
7    O        23.0695   13.1314   21.8842  O     
8    N        24.3013   11.7167   22.9776  N     
9    S        24.7241   10.1564   23.4632  S     
10   O        26.2217    9.9269   22.9742  O     
11   O        24.4903   10.0370   25.0296  O     
12   N        23.6868    9.1080   22.6339  N     
13   C        21.4691    7.5273   21.1282  C     
14   C        20.3339    6.0183   19.7688  C     
15   C        19.7506    5.8150   21.1902  C     
16   C        20.2782    7.0288   21.9750  C     
17   O        20.6849    6.7470   23.3187  O     
18   O        20.2027    4.5731   21.7542  O     
19   O        21.1603    7.1874   19.7766  O     
20   C        19.2737    6.1925   18.6491  C     
21   O        18.4487    7.3528   18.9161  O     
22   O        18.2869    8.2948   16.6234  O     
23   O        16.5795    6.6723   17.2760  O     
24   P        17.5200    7.8036   17.7427  P     
25   O        16.6418    8.9890   18.1968  O     
26   H        20.0736    9.7089   20.0974  H     
27   H        24.8503   12.4604   23.2894  H     
28   H        23.7653    8.1480   22.7635  H     
29   H        22.3706    6.9751   21.4141  H     
30   H        20.9645    5.1680   19.5005  H     
31   H        18.6540    5.8048   21.2039  H     
32   H        19.4908    7.7951   22.0142  H     
33   H        19.9216    6.2790   23.7272  H     
34   H        19.7942    4.5097   22.6535  H     
35   H        19.8117    6.2946   17.6915  H     
36   H        18.6539    5.2871   18.5965  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   21   24 1
    25   22   24 2
    26   23   24 1
    27   24   25 1
    28    1   26 1
    29    8   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   17   33 1
    36   18   34 1
    37   20   35 1
    38   20   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5987
  Crash		| -0.3987
  Polar		| 7.4910
  FragIndex	| 1
  FragRMSD	| 1.061