@<TRIPOS>MOLECULE
BindingDB_12018
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.6261    6.6884   12.8025  C     
2    C        -0.5973    7.5785   13.1696  C     
3    C        -0.0804    8.4876   12.2298  C     
4    C        -0.6093    8.5148   10.9284  C     
5    C        -1.6336    7.6201   10.5580  C     
6    C        -2.1568    6.6831   11.4868  C     
7    C        -3.2168    5.7323   11.0509  C     
8    N        -3.6535    4.8003   12.0494  N     
9    C        -4.8987    4.5770   12.4836  C     
10   O        -5.8200    5.2406   12.0124  O     
11   C        -5.1618    3.6476   13.4948  C     
12   C        -4.2233    2.6466   13.8684  C     
13   C        -6.3829    3.6856   14.2177  C     
14   C        -6.6412    2.7969   15.2707  C     
15   C        -5.7000    1.8150   15.6287  C     
16   C        -4.4870    1.7461   14.9125  C     
17   S        -5.9933    0.7223   16.9472  S     
18   O        -6.0129   -0.7300   16.3019  O     
19   O        -4.7892    0.7901   17.9821  O     
20   N        -7.4700    0.9293   17.7160  N     
21   F        -2.0907    7.6772    9.3292  F     
22   F        -0.1101    7.5543   14.3776  F     
23   H        -1.9778    6.0349   13.5118  H     
24   H         0.6756    9.1376   12.4884  H     
25   H        -0.2387    9.1798   10.2485  H     
26   H        -4.0470    6.3117   10.6546  H     
27   H        -2.8116    5.1479   10.2151  H     
28   H        -2.9548    4.2552   12.4368  H     
29   H        -3.3335    2.5474   13.3663  H     
30   H        -7.1025    4.3827   14.0010  H     
31   H        -7.5228    2.8731   15.7858  H     
32   H        -3.7813    1.0365   15.1459  H     
33   H        -7.9237    0.1724   18.1199  H     
34   H        -7.8594    1.8182   17.7821  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 1
     5    3    4 2
     6    4    5 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    3   24 1
    26    4   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	| 4.3494
  Crash		| -0.5873
  Polar		| 3.9145
  FragIndex	| 1
  FragRMSD	| 0.815