@<TRIPOS>MOLECULE
BindingDB_12021
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7477    8.2365   14.5203  C     
2    C        -0.4527    8.6399   14.9071  C     
3    C         0.6272    8.5108   14.0080  C     
4    C         0.4129    7.9408   12.7480  C     
5    C        -0.8847    7.5431   12.3569  C     
6    C        -1.9893    7.7157   13.2308  C     
7    C        -3.3458    7.3095   12.7984  C     
8    N        -3.7374    6.1356   13.5261  N     
9    C        -4.5482    6.1104   14.5798  C     
10   O        -4.9690    7.1621   15.0736  O     
11   C        -4.9309    4.9058   15.1495  C     
12   C        -6.2864    4.7155   15.5224  C     
13   C        -4.0147    3.8443   15.3501  C     
14   C        -4.4347    2.6455   15.9266  C     
15   C        -5.7872    2.4691   16.3018  C     
16   C        -6.7097    3.5086   16.0802  C     
17   S        -6.2743    1.0023   17.0996  S     
18   O        -6.0398   -0.2264   16.1085  O     
19   O        -5.3697    0.7685   18.3924  O     
20   N        -7.9089    0.8875   17.4888  N     
21   F        -1.0285    7.0072   11.1634  F     
22   F         1.8175    8.9024   14.3457  F     
23   F        -2.7107    8.3361   15.4078  F     
24   H        -0.2868    9.0180   15.8393  H     
25   H         1.2014    7.7982   12.1011  H     
26   H        -4.0811    8.1022   12.9312  H     
27   H        -3.3430    7.0742   11.7421  H     
28   H        -3.3849    5.2924   13.2025  H     
29   H        -6.9804    5.4525   15.3728  H     
30   H        -3.0347    3.9510   15.0893  H     
31   H        -3.7558    1.8959   16.0679  H     
32   H        -7.7003    3.3966   16.3301  H     
33   H        -8.2881   -0.0023   17.6110  H     
34   H        -8.4932    1.6426   17.3365  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   23 1
     4    2    3 1
     5    3    4 2
     6    3   22 1
     7    4    5 1
     8    5    6 2
     9    5   21 1
    10    6    7 1
    11    7    8 1
    12    8    9 am
    13    9   10 2
    14    9   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 2
    23   17   19 2
    24   17   20 am
    25    2   24 1
    26    4   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7496
  Crash		| -1.2206
  Polar		| 2.9008
  FragIndex	| 1
  FragRMSD	| 0.835