@<TRIPOS>MOLECULE
BindingDB_50186677
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.5808   45.7803   16.0689  C     
2    C        27.5589   44.3703   15.9257  C     
3    C        27.9746   43.5523   17.0031  C     
4    C        28.0822   46.3558   17.2395  C     
5    C        28.5583   45.5548   18.2969  C     
6    C        28.4799   44.1399   18.1849  C     
7    C        28.9079   43.2608   19.3041  C     
8    N        29.7142   43.9138   20.3503  N     
9    C        29.3689   45.3112   20.7292  C     
10   C        29.2136   46.2206   19.4632  C     
11   C        28.1700   45.3487   21.7262  C     
12   S        26.9793   43.6985   14.4148  S     
13   N        27.5967   42.1508   14.1118  N     
14   O        25.3776   43.6524   14.4672  O     
15   O        27.4613   44.6191   13.2161  O     
16   F        28.0328   46.6147   22.2680  F     
17   F        26.9712   44.9922   21.1416  F     
18   H        27.2412   46.3918   15.3192  H     
19   H        27.9237   42.5385   16.8962  H     
20   H        28.1090   47.3719   17.3267  H     
21   H        28.0135   42.8237   19.7529  H     
22   H        29.5130   42.4365   18.9049  H     
23   H        29.6749   43.3144   21.1762  H     
24   H        30.6869   43.9006   20.0394  H     
25   H        30.2424   45.6816   21.2906  H     
26   H        30.2186   46.5046   19.1286  H     
27   H        28.6680   47.1310   19.7420  H     
28   H        28.3501   44.6549   22.5670  H     
29   H        27.4668   41.7347   13.2307  H     
30   H        28.0857   41.6488   14.8012  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   12 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   16 1
    15   11   17 1
    16   12   13 am
    17   12   14 2
    18   12   15 2
    19    1   18 1
    20    3   19 1
    21    4   20 1
    22    7   21 1
    23    7   22 1
    24    8   23 1
    25    8   24 1
    26    9   25 1
    27   10   26 1
    28   10   27 1
    29   11   28 1
    30   13   29 1
    31   13   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0552
  Crash		| -2.0127
  Polar		| 3.5011
  FragIndex	| 1
  FragRMSD	| 0.222