@<TRIPOS>MOLECULE
BindingDB_11622
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.1158    4.1996   13.5127  C     
2    C        -5.5776    2.6583   15.1637  C     
3    S        -4.9255    2.4857   13.6000  S     
4    N        -5.6575    4.7164   14.6246  N     
5    N        -5.8881    3.8505   15.4953  N     
6    N        -7.1278    1.5609   17.1965  N     
7    S        -5.7423    1.3706   16.2677  S     
8    O        -5.8270   -0.0251   15.5122  O     
9    O        -4.4807    1.3879   17.2360  O     
10   N        -4.7098    4.9034   12.4383  N     
11   S        -4.7865    6.5840   12.2980  S     
12   O        -4.7589    6.8463   10.7302  O     
13   O        -6.2279    7.1153   12.7144  O     
14   C        -3.5273    7.4986   13.0869  C     
15   C        -2.2166    7.9975   15.0909  C     
16   C        -1.4989    8.9921   14.3949  C     
17   C        -1.7999    9.2452   13.0343  C     
18   C        -2.8132    8.4982   12.3943  C     
19   C        -3.2226    7.2544   14.4434  C     
20   N        -0.5425    9.6784   15.0435  N     
21   Cl       -0.9732   10.4283   12.1418  Cl    
22   H        -7.3189    0.9347   17.9145  H     
23   H        -7.8047    2.2033   16.9270  H     
24   H        -4.3204    4.4086   11.6968  H     
25   H        -2.0060    7.8076   16.0746  H     
26   H        -3.0301    8.6930   11.4116  H     
27   H        -3.7317    6.5394   14.9681  H     
28   H        -0.0339   10.3636   14.5846  H     
29   H        -0.3568    9.4871   15.9747  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   16   17 1
    20   16   20 1
    21   17   18 2
    22   17   21 1
    23    6   22 1
    24    6   23 1
    25   10   24 1
    26   15   25 1
    27   18   26 1
    28   19   27 1
    29   20   28 1
    30   20   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8340
  Crash		| -0.4335
  Polar		| 2.9742
  FragIndex	| 1
  FragRMSD	| 1.148