@<TRIPOS>MOLECULE
BindingDB_12014
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7043    8.1978   14.5293  C     
2    C        -0.4462    8.6549   14.9595  C     
3    C         0.6585    8.5871   14.0941  C     
4    C         0.5084    8.0480   12.8055  C     
5    C        -0.7501    7.5895   12.3708  C     
6    C        -1.8780    7.6659   13.2284  C     
7    C        -3.2350    7.2352   12.8018  C     
8    N        -3.6729    6.1188   13.5859  N     
9    C        -4.6777    6.0824   14.4568  C     
10   O        -5.3185    7.1081   14.6629  O     
11   C        -5.0431    4.8975   15.1134  C     
12   C        -6.3737    4.7043   15.5726  C     
13   C        -4.1204    3.8409   15.3378  C     
14   C        -4.5140    2.6425   15.9617  C     
15   C        -5.8473    2.4615   16.3790  C     
16   C        -6.7718    3.5077   16.1928  C     
17   S        -6.3324    0.9708   17.1357  S     
18   O        -6.0166   -0.2274   16.1419  O     
19   O        -5.5283    0.7358   18.4847  O     
20   N        -7.9805    0.8575   17.4232  N     
21   F        -0.8371    7.0997   11.1623  F     
22   H        -2.4981    8.2641   15.1718  H     
23   H        -0.3367    9.0404   15.9006  H     
24   H         1.5729    8.9238   14.4025  H     
25   H         1.3188    7.9959   12.1833  H     
26   H        -3.9068    8.0942   12.8704  H     
27   H        -3.2485    6.9120   11.7603  H     
28   H        -3.1937    5.2908   13.4348  H     
29   H        -7.0821    5.4319   15.4479  H     
30   H        -3.1413    3.9275   15.0559  H     
31   H        -3.8209    1.9026   16.1046  H     
32   H        -7.7416    3.4124   16.5030  H     
33   H        -8.3993   -0.0138   17.3936  H     
34   H        -8.5327    1.6503   17.3492  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    5   21 1
     8    6    7 1
     9    7    8 1
    10    8    9 am
    11    9   10 2
    12    9   11 1
    13   11   12 1
    14   11   13 2
    15   12   16 2
    16   13   14 1
    17   14   15 2
    18   15   16 1
    19   15   17 1
    20   17   18 2
    21   17   19 2
    22   17   20 am
    23    1   22 1
    24    2   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	| 4.7531
  Crash		| -1.1017
  Polar		| 2.7332
  FragIndex	| 1
  FragRMSD	| 0.848