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


@<TRIPOS>ATOM
1    C        -5.7623    9.5490   13.1258  C     
2    C        -6.0783    9.0316   14.4000  C     
3    C        -7.1020    8.0802   14.5490  C     
4    C        -7.8000    7.6356   13.4139  C     
5    C        -7.4766    8.1379   12.1396  C     
6    C        -6.4574    9.1072   11.9705  C     
7    C        -6.1147    9.5927   10.6007  C     
8    N        -7.2283   10.2607    9.9873  N     
9    C        -8.1333    9.7349    9.1632  C     
10   O        -8.0917    8.5326    8.9129  O     
11   C        -9.1402   10.5125    8.5797  C     
12   C        -8.9865   11.9075    8.3852  C     
13   C       -10.3378    9.9194    8.1071  C     
14   C       -11.3199   10.6769    7.4427  C     
15   C       -11.1333   12.0543    7.2211  C     
16   C        -9.9656   12.6660    7.7145  C     
17   S       -12.2750   12.9810    6.2821  S     
18   O       -11.4915   13.6775    5.0858  O     
19   O       -13.4034   12.0390    5.6722  O     
20   N       -13.0427   14.1840    7.1701  N     
21   F        -8.1371    7.6772   11.1119  F     
22   F        -4.8120   10.4429   13.0412  F     
23   F        -8.7405    6.7438   13.5415  F     
24   F        -7.4011    7.6087   15.7316  F     
25   F        -5.4240    9.4303   15.4559  F     
26   H        -5.2947   10.3115   10.6169  H     
27   H        -5.7618    8.7409   10.0125  H     
28   H        -7.3286   11.2008   10.2040  H     
29   H        -8.1384   12.3873    8.6950  H     
30   H       -10.5084    8.9187    8.2363  H     
31   H       -12.1603   10.2064    7.1048  H     
32   H        -9.8048   13.6644    7.5653  H     
33   H       -13.8953   14.5231    6.8629  H     
34   H       -12.7746   14.3467    8.0870  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	| 3.1254
  Crash		| -1.0427
  Polar		| 1.1880
  FragIndex	| 1
  FragRMSD	| 0.258