@<TRIPOS>MOLECULE
BindingDB_12020
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.4728    8.3248   15.2355  C     
2    C        -1.7160    9.1304   16.1044  C     
3    C        -0.4293    9.5548   15.7310  C     
4    C         0.1109    9.1458   14.4943  C     
5    C        -0.6390    8.3239   13.6296  C     
6    C        -1.9507    7.9140   13.9871  C     
7    C        -2.8113    7.1123   13.0825  C     
8    N        -3.3009    5.9471   13.7630  N     
9    C        -4.5505    5.7276   14.1615  C     
10   O        -5.4013    6.5751   13.9096  O     
11   C        -4.9321    4.5978   14.9065  C     
12   C        -3.9918    3.6107   15.3081  C     
13   C        -6.2836    4.3950   15.2923  C     
14   C        -6.6825    3.2650   16.0269  C     
15   C        -5.7385    2.2880   16.3910  C     
16   C        -4.3905    2.4742   16.0357  C     
17   S        -6.2240    0.8487   17.2467  S     
18   O        -5.9740   -0.3722   16.2611  O     
19   O        -5.3464    0.6552   18.5575  O     
20   N        -7.8625    0.7749   17.6090  N     
21   F        -0.1065    7.9713   12.4924  F     
22   F         0.2507   10.3240   16.5359  F     
23   F         1.3117    9.5330   14.1560  F     
24   H        -3.4171    8.0467   15.5275  H     
25   H        -2.1081    9.4081   17.0140  H     
26   H        -3.6125    7.7583   12.7176  H     
27   H        -2.2657    6.7666   12.1997  H     
28   H        -2.6375    5.2767   13.9872  H     
29   H        -2.9995    3.7069   15.0813  H     
30   H        -7.0041    5.0735   15.0461  H     
31   H        -7.6682    3.1611   16.2813  H     
32   H        -3.6841    1.7758   16.2943  H     
33   H        -8.2559   -0.0997   17.8205  H     
34   H        -8.4405    1.5087   17.3579  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   22 1
     6    4    5 1
     7    4   23 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    1   24 1
    26    2   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	| 5.4994
  Crash		| -1.4150
  Polar		| 2.8038
  FragIndex	| 1
  FragRMSD	| 0.863