@<TRIPOS>MOLECULE
BindingDB_12023
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.0371    8.5372   13.7280  C     
2    C         0.3222    9.6425   14.5295  C     
3    C        -0.3548    9.8894   15.7416  C     
4    C        -1.4153    9.0448   16.1277  C     
5    C        -1.7886    7.9542   15.3252  C     
6    C        -1.0773    7.6512   14.1214  C     
7    C        -1.4154    6.4911   13.2284  C     
8    N        -2.1685    5.4198   13.8078  N     
9    C        -3.4820    5.1678   13.6711  C     
10   O        -4.1347    5.8875   12.9250  O     
11   C        -4.1247    4.1997   14.4425  C     
12   C        -3.4069    3.2769   15.2399  C     
13   C        -5.5481    4.1039   14.4914  C     
14   C        -6.2024    3.1701   15.3170  C     
15   C        -5.4532    2.2725   16.0983  C     
16   C        -4.0518    2.3211   16.0454  C     
17   S        -6.2179    1.0609   17.0852  S     
18   O        -6.0796   -0.2542   16.2062  O     
19   O        -5.4068    0.7866   18.4253  O     
20   N        -7.8743    1.2064   17.3044  N     
21   F        -2.8245    7.2793   15.7292  F     
22   F         0.6200    8.3491   12.6137  F     
23   F        -2.0570    9.2795   17.2356  F     
24   F         0.0015   10.8897   16.4982  F     
25   F         1.2928   10.4378   14.1621  F     
26   H        -1.9105    6.8924   12.3395  H     
27   H        -0.4900    6.0287   12.8957  H     
28   H        -1.6882    4.8819   14.4493  H     
29   H        -2.3851    3.2708   15.2430  H     
30   H        -6.1355    4.7312   13.9264  H     
31   H        -7.2229    3.1473   15.3405  H     
32   H        -3.4846    1.6681   16.5871  H     
33   H        -8.4262    0.3954   17.2803  H     
34   H        -8.2974    2.0694   17.3035  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   22 1
     4    2    3 1
     5    2   25 1
     6    3    4 2
     7    3   24 1
     8    4    5 1
     9    4   23 1
    10    5    6 2
    11    5   21 1
    12    6    7 1
    13    7    8 1
    14    8    9 am
    15    9   10 2
    16    9   11 1
    17   11   12 1
    18   11   13 2
    19   12   16 2
    20   13   14 1
    21   14   15 2
    22   15   16 1
    23   15   17 1
    24   17   18 2
    25   17   19 2
    26   17   20 am
    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	| 5.3365
  Crash		| -1.5152
  Polar		| 2.7132
  FragIndex	| 1
  FragRMSD	| 0.849