@<TRIPOS>MOLECULE
BindingDB_11392
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.1359    3.9015   14.4344  C     
2    N        -3.9117    6.2958   14.2921  N     
3    S        -5.4706    5.9929   14.8881  S     
4    O        -6.6058    6.1143   13.7792  O     
5    O        -5.8236    6.7664   16.2336  O     
6    C        -4.3521    3.4881   15.1836  C     
7    C        -5.4481    4.3388   15.3863  C     
8    C        -4.4981    2.2428   15.8291  C     
9    C        -5.7132    2.0698   16.4954  C     
10   S        -6.6279    3.5158   16.3210  S     
11   N        -7.8465    0.6752   17.6746  N     
12   S        -6.1939    0.6783   17.4014  S     
13   O        -5.9399   -0.5733   16.4616  O     
14   O        -5.3479    0.5049   18.7324  O     
15   N        -2.7132    2.8334   13.5154  N     
16   C        -3.2954    5.1989   13.5854  C     
17   C        -3.4550    7.6525   14.1014  C     
18   C        -3.1348    8.4039   15.4252  C     
19   C        -2.1586    9.5974   15.2450  C     
20   C        -2.8431   11.8259   14.4577  C     
21   O        -2.5616   10.4531   14.1518  O     
22   H        -2.3366    4.0569   15.1652  H     
23   H        -3.7739    1.5235   15.8198  H     
24   H        -8.3655   -0.0791   17.3554  H     
25   H        -8.2951    1.5282   17.8061  H     
26   H        -2.4418    2.0104   14.0524  H     
27   H        -1.9057    3.1575   12.9755  H     
28   H        -3.4783    2.5965   12.8809  H     
29   H        -2.2982    5.4614   13.2246  H     
30   H        -3.9062    4.9838   12.7032  H     
31   H        -2.5524    7.6663   13.4907  H     
32   H        -4.2088    8.2080   13.5425  H     
33   H        -4.0567    8.7704   15.8705  H     
34   H        -2.6779    7.7044   16.1325  H     
35   H        -2.0819   10.1295   16.2026  H     
36   H        -1.1690    9.2146   15.0079  H     
37   H        -3.6963   11.8983   15.1360  H     
38   H        -3.0936   12.3438   13.5323  H     
39   H        -1.9741   12.3116   14.9037  H     
@<TRIPOS>BOND
     1    1    6 1
     2    1   15 1
     3    1   16 1
     4    2    3 1
     5    2   16 1
     6    2   17 1
     7    3    4 2
     8    3    5 2
     9    3    7 1
    10    6    7 2
    11    6    8 1
    12    7   10 1
    13    8    9 2
    14    9   10 1
    15    9   12 1
    16   11   12 am
    17   12   13 2
    18   12   14 2
    19   17   18 1
    20   18   19 1
    21   19   21 1
    22   20   21 1
    23    1   22 1
    24    8   23 1
    25   11   24 1
    26   11   25 1
    27   15   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   20   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4995
  Crash		| -1.9166
  Polar		| 3.5136
  FragIndex	| 1
  FragRMSD	| 0.954