@<TRIPOS>MOLECULE
BindingDB_11627
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.9911    4.2878   13.5540  C     
2    C        -5.5331    2.7581   15.1974  C     
3    S        -4.7057    2.5908   13.7116  S     
4    N        -5.6563    4.7999   14.5979  N     
5    N        -5.9330    3.9425   15.4657  N     
6    N        -7.1732    1.6271   17.1733  N     
7    S        -5.7777    1.4541   16.2600  S     
8    O        -5.8818    0.0906   15.4532  O     
9    O        -4.5369    1.3913   17.2466  O     
10   N        -4.5479    4.9673   12.4768  N     
11   S        -4.7204    6.6283   12.2491  S     
12   O        -4.7381    6.8473   10.6732  O     
13   O        -6.1695    7.0952   12.7084  O     
14   C        -3.4790    7.5834   13.0128  C     
15   C        -1.7002    9.2643   12.8960  C     
16   C        -1.4551    9.1105   14.2776  C     
17   C        -2.2320    8.1992   15.0255  C     
18   C        -3.2356    7.4428   14.3933  C     
19   C        -2.7074    8.5044   12.2722  C     
20   N        -0.4941    9.8291   14.8883  N     
21   F        -2.0338    8.0417   16.3085  F     
22   I        -0.6112   10.5754   11.7477  I     
23   H        -7.3444    1.0244   17.9195  H     
24   H        -7.7948    2.3531   16.9867  H     
25   H        -4.0677    4.4677   11.7929  H     
26   H        -3.7866    6.7845   14.9483  H     
27   H        -2.8675    8.6259   11.2691  H     
28   H        -0.3322    9.7156   15.8393  H     
29   H         0.0438   10.4562   14.3827  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    4 2
     3    1   10 1
     4    2    3 1
     5    2    5 2
     6    2    7 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   11   12 2
    13   11   13 2
    14   11   14 1
    15   14   18 1
    16   14   19 2
    17   15   16 2
    18   15   19 1
    19   15   22 1
    20   16   17 1
    21   16   20 1
    22   17   18 2
    23   17   21 1
    24    6   23 1
    25    6   24 1
    26   10   25 1
    27   18   26 1
    28   19   27 1
    29   20   28 1
    30   20   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5994
  Crash		| -0.5503
  Polar		| 3.0076
  FragIndex	| 1
  FragRMSD	| 1.159