@<TRIPOS>MOLECULE
BindingDB_50051829
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        20.1541   26.5819   19.8785  S     
2    C        21.6522   30.8526   18.8865  C     
3    C        23.3293   32.5592   19.3676  C     
4    O        20.7867   31.8572   18.5443  O     
5    C        21.1416   33.1705   18.6192  C     
6    C        22.9664   31.1902   19.3137  C     
7    C        22.4225   33.5114   19.0342  C     
8    C        21.2137   29.5138   18.8589  C     
9    O        21.6834   27.1716   19.4516  O     
10   O        19.4254   25.9678   18.4852  O     
11   O        20.2775   25.2918   20.9583  O     
12   C        23.8313   30.1263   19.6650  C     
13   C        22.0689   28.4751   19.2889  C     
14   N        19.1509   27.7831   20.5012  N     
15   O        20.2477   34.1300   18.2914  O     
16   C        23.3948   28.7890   19.6429  C     
17   C        24.6748   32.9758   19.7690  C     
18   H        22.6613   34.4747   19.0602  H     
19   H        20.2673   29.3025   18.5490  H     
20   H        24.7880   30.3116   19.9702  H     
21   H        18.3211   27.5471   20.9377  H     
22   H        19.4360   28.7115   20.4728  H     
23   H        24.0446   28.0511   19.9272  H     
24   H        24.8820   32.6499   20.7901  H     
25   H        24.8287   34.0582   19.7377  H     
26   H        25.4113   32.5288   19.0994  H     
@<TRIPOS>BOND
     1    1    9 1
     2    1   10 2
     3    1   11 2
     4    1   14 am
     5    2    4 1
     6    2    6 2
     7    2    8 1
     8    3    6 1
     9    3    7 2
    10    3   17 1
    11    4    5 1
    12    5    7 1
    13    5   15 2
    14    6   12 1
    15    8   13 2
    16    9   13 1
    17   12   16 2
    18   13   16 1
    19    7   18 1
    20    8   19 1
    21   12   20 1
    22   14   21 1
    23   14   22 1
    24   16   23 1
    25   17   24 1
    26   17   25 1
    27   17   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.0560
  Crash		| -0.3076
  Polar		| 3.2664
  FragIndex	| 1
  FragRMSD	| 1.073