@<TRIPOS>MOLECULE
BindingDB_50174122
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.8482   45.5187   15.4946  C     
2    C        27.7160   44.1184   15.4593  C     
3    C        27.9360   43.3722   16.6374  C     
4    C        28.2133   46.1664   16.6847  C     
5    C        28.4496   45.4228   17.8613  C     
6    C        28.3312   44.0100   17.8354  C     
7    C        28.5959   43.1965   19.0554  C     
8    N        29.2621   43.9467   20.1505  N     
9    C        28.7014   45.3002   20.3912  C     
10   C        28.8726   46.1393   19.0885  C     
11   C        29.3735   45.9848   21.6139  C     
12   F        28.8377   47.2307   21.8569  F     
13   F        29.1758   45.2377   22.7506  F     
14   F        30.7233   46.1350   21.4054  F     
15   S        27.2478   43.3284   13.9815  S     
16   N        27.9734   43.9643   12.6114  N     
17   O        27.6612   41.7958   14.0124  O     
18   O        25.6638   43.4475   13.8571  O     
19   H        27.6946   46.0809   14.6489  H     
20   H        27.8362   42.3544   16.6149  H     
21   H        28.3044   47.1848   16.6893  H     
22   H        27.6524   42.7869   19.4250  H     
23   H        29.2521   42.3598   18.8023  H     
24   H        29.2068   43.3837   21.0063  H     
25   H        30.2523   44.0517   19.9082  H     
26   H        27.6346   45.2015   20.6174  H     
27   H        29.9239   46.4177   18.9462  H     
28   H        28.2916   47.0598   19.1876  H     
29   H        27.7320   43.5935   11.7408  H     
30   H        28.8081   44.4658   12.6937  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   15 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13    9   11 1
    14   11   12 1
    15   11   13 1
    16   11   14 1
    17   15   16 am
    18   15   17 2
    19   15   18 2
    20    1   19 1
    21    3   20 1
    22    4   21 1
    23    7   22 1
    24    7   23 1
    25    8   24 1
    26    8   25 1
    27    9   26 1
    28   10   27 1
    29   10   28 1
    30   16   29 1
    31   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1559
  Crash		| -2.1078
  Polar		| 3.5667
  FragIndex	| 1
  FragRMSD	| 1.057