@<TRIPOS>MOLECULE
BindingDB_11425
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.0308    3.6462   14.6080  C     
2    C        -2.7773    4.5792   13.6509  C     
3    N        -3.6608    5.6122   13.3696  N     
4    S        -5.0856    5.8479   14.2618  S     
5    O        -4.9698    7.0370   15.3125  O     
6    O        -6.3768    5.8829   13.3323  O     
7    C        -4.2345    3.4741   15.2703  C     
8    C        -5.2614    4.4124   15.1848  C     
9    C        -4.5813    2.3487   16.0529  C     
10   C        -5.8837    2.3774   16.5693  C     
11   S        -6.6191    3.8484   16.0710  S     
12   N        -6.1063    1.0075   19.0598  N     
13   S        -6.6846    1.1543   17.4940  S     
14   O        -8.2500    1.4270   17.5507  O     
15   O        -6.5526   -0.2635   16.7863  O     
16   C        -1.4902    4.4725   12.9334  C     
17   C        -1.8054    1.9894   12.1649  C     
18   N        -0.9398    3.1402   12.5516  N     
19   C        -3.5351    6.5148   12.3425  C     
20   C        -3.5915    7.9084   12.5873  C     
21   C        -3.5627    8.8324   11.5249  C     
22   C        -3.4452    8.3728   10.2005  C     
23   C        -3.3818    6.9921    9.9418  C     
24   C        -3.4450    6.0728   11.0020  C     
25   O        -3.6715   10.1601   11.7652  O     
26   C        -2.8114    2.2259   11.2655  C     
27   C        -3.7207    2.4401   10.5152  C     
28   H        -2.3239    2.9918   14.8421  H     
29   H        -3.9485    1.5585   16.2040  H     
30   H        -5.4437    0.3348   19.2613  H     
31   H        -6.3997    1.6230   19.7506  H     
32   H        -1.5123    5.0332   12.0007  H     
33   H        -0.7355    4.9523   13.5576  H     
34   H        -1.1564    1.2168   11.7355  H     
35   H        -2.2736    1.5548   13.0548  H     
36   H        -0.3250    3.3100   11.7504  H     
37   H        -0.3383    2.8363   13.3211  H     
38   H        -3.6894    8.2510   13.5473  H     
39   H        -3.4156    9.0398    9.4251  H     
40   H        -3.3056    6.6555    8.9824  H     
41   H        -3.4324    5.0759   10.7893  H     
42   H        -4.6302   10.3019   11.9226  H     
43   H        -4.4233    2.6078    9.9414  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   19 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   18 1
    20   17   18 1
    21   17   26 1
    22   19   20 2
    23   19   24 1
    24   20   21 1
    25   21   22 2
    26   21   25 1
    27   22   23 1
    28   23   24 2
    29   26   27 3
    30    1   28 1
    31    9   29 1
    32   12   30 1
    33   12   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   17   35 1
    38   18   36 1
    39   18   37 1
    40   20   38 1
    41   22   39 1
    42   23   40 1
    43   24   41 1
    44   25   42 1
    45   27   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3722
  Crash		| -2.7070
  Polar		| 4.3317
  FragIndex	| 1
  FragRMSD	| 1.148