@<TRIPOS>MOLECULE
BindingDB_12016
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7593    7.9850   15.6311  C     
2    C        -1.4470    9.0384   16.5042  C     
3    C        -0.3929    9.9179   16.2056  C     
4    C         0.3392    9.7492   15.0174  C     
5    C         0.0242    8.6978   14.1287  C     
6    C        -1.0272    7.7875   14.4298  C     
7    C        -1.3354    6.6654   13.4901  C     
8    N        -2.1359    5.6196   14.0532  N     
9    C        -3.4595    5.4865   14.0310  C     
10   O        -4.1152    6.3487   13.4582  O     
11   C        -4.1213    4.4426   14.7086  C     
12   C        -5.5400    4.3830   14.7715  C     
13   C        -3.4017    3.4175   15.3863  C     
14   C        -4.0631    2.4084   16.1119  C     
15   C        -5.4671    2.3944   16.1880  C     
16   C        -6.2034    3.3820   15.5094  C     
17   S        -6.2451    1.1612   17.1403  S     
18   O        -6.1328   -0.1354   16.2308  O     
19   O        -5.4695    0.8430   18.4936  O     
20   N        -7.8984    1.3319   17.3731  N     
21   F         0.7214    8.5798   13.0234  F     
22   F         1.3107   10.5804   14.7480  F     
23   H        -2.5340    7.3751   15.8804  H     
24   H        -1.9946    9.1663   17.3600  H     
25   H        -0.1685   10.6778   16.8529  H     
26   H        -1.7853    7.0725   12.5818  H     
27   H        -0.4020    6.1877   13.2043  H     
28   H        -1.6408    4.9317   14.5217  H     
29   H        -6.1110    5.0741   14.2875  H     
30   H        -2.3808    3.3819   15.3682  H     
31   H        -3.5077    1.6970   16.5947  H     
32   H        -7.2241    3.3893   15.5542  H     
33   H        -8.4606    0.5424   17.3101  H     
34   H        -8.2985    2.2088   17.3597  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4   22 1
     7    5    6 2
     8    5   21 1
     9    6    7 1
    10    7    8 1
    11    8    9 am
    12    9   10 2
    13    9   11 1
    14   11   12 1
    15   11   13 2
    16   12   16 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 2
    22   17   19 2
    23   17   20 am
    24    1   23 1
    25    2   24 1
    26    3   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	| 5.5226
  Crash		| -0.9036
  Polar		| 2.2213
  FragIndex	| 1
  FragRMSD	| 0.858