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


@<TRIPOS>ATOM
1    C        -0.1666    6.7694   13.3350  C     
2    C         0.5123    7.7988   14.0174  C     
3    C        -0.0282    8.3435   15.2044  C     
4    C        -1.2315    7.8298   15.7219  C     
5    C        -1.9106    6.7942   15.0487  C     
6    C        -1.3873    6.2427   13.8441  C     
7    C        -2.1667    5.2326   13.0657  C     
8    N        -2.8316    4.2695   13.8952  N     
9    C        -4.1452    4.1067   14.0462  C     
10   O        -4.9077    4.8495   13.4363  O     
11   C        -4.6975    3.1200   14.8840  C     
12   C        -3.8998    2.0970   15.4668  C     
13   C        -6.0859    3.1074   15.1822  C     
14   C        -6.6533    2.1223   16.0039  C     
15   C        -5.8470    1.1145   16.5671  C     
16   C        -4.4647    1.1041   16.2877  C     
17   S        -6.5987   -0.1100   17.5545  S     
18   O        -6.6116    0.4577   19.0466  O     
19   O        -8.1163   -0.3557   17.1076  O     
20   N        -5.8229   -1.5969   17.6203  N     
21   F        -3.0451    6.3592   15.5536  F     
22   F         0.3474    6.3314   12.2044  F     
23   F        -1.7176    8.3146   16.8353  F     
24   F         0.6005    9.3100   15.8268  F     
25   F         1.6385    8.2772   13.5424  F     
26   H        -2.8674    5.7810   12.4381  H     
27   H        -1.5271    4.6517   12.4017  H     
28   H        -2.2522    3.6814   14.4035  H     
29   H        -2.8949    2.0409   15.2761  H     
30   H        -6.7131    3.8175   14.7931  H     
31   H        -7.6568    2.1444   16.1989  H     
32   H        -3.8617    0.3748   16.6746  H     
33   H        -6.0381   -2.2064   18.3451  H     
34   H        -5.3781   -1.9363   16.8206  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	| 3.4647
  Crash		| -0.7233
  Polar		| 0.0059
  FragIndex	| 1
  FragRMSD	| 0.419