@<TRIPOS>MOLECULE
BindingDB_8046
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.7983   42.9862   25.5275  C     
2    C        15.9395   44.0524   23.4896  C     
3    C        14.5681   44.3374   23.7138  C     
4    N        16.5628   43.3532   24.4802  N     
5    C        16.2448   42.2433   26.7114  C     
6    C        16.7478   44.4845   22.3317  C     
7    S        14.2285   43.6155   25.2430  S     
8    C        13.5877   45.0773   22.9978  C     
9    C        13.6857   45.4917   21.6485  C     
10   C        12.6339   46.2396   21.0913  C     
11   C        11.4344   46.1566   23.1381  C     
12   N        12.4531   45.4318   23.6695  N     
13   N        11.5503   46.5583   21.8437  N     
14   N        10.3147   46.5354   23.8038  N     
15   C         9.8788   46.2993   25.0843  C     
16   C        10.0489   45.4614   27.3943  C     
17   C        10.6155   45.6704   26.1201  C     
18   C         8.5518   46.7056   25.3736  C     
19   C         7.9821   46.4989   26.6445  C     
20   C         8.7328   45.8809   27.6601  C     
21   F         8.2116   45.6721   28.8377  F     
22   H        16.5989   41.2557   26.4169  H     
23   H        15.4269   42.1280   27.4227  H     
24   H        17.0595   42.7804   27.2038  H     
25   H        16.3861   43.9847   21.4254  H     
26   H        17.7997   44.2149   22.4612  H     
27   H        16.6844   45.5715   22.2134  H     
28   H        14.4807   45.2570   21.0557  H     
29   H        12.6776   46.5529   20.1189  H     
30   H         9.7122   47.0771   23.2765  H     
31   H        10.5934   44.9954   28.1244  H     
32   H        11.5655   45.3340   25.9651  H     
33   H         7.9823   47.1569   24.6522  H     
34   H         7.0183   46.7949   26.8232  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 2
     5    2    4 1
     6    2    6 1
     7    3    7 1
     8    3    8 1
     9    8    9 1
    10    8   12 2
    11    9   10 2
    12   10   13 1
    13   11   12 1
    14   11   13 2
    15   11   14 1
    16   14   15 1
    17   15   17 1
    18   15   18 2
    19   16   17 2
    20   16   20 1
    21   18   19 1
    22   19   20 2
    23   20   21 1
    24    5   22 1
    25    5   23 1
    26    5   24 1
    27    6   25 1
    28    6   26 1
    29    6   27 1
    30    9   28 1
    31   10   29 1
    32   14   30 1
    33   16   31 1
    34   17   32 1
    35   18   33 1
    36   19   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0603
  Crash		| -0.7429
  Polar		| 2.0941
  FragIndex	| 1
  FragRMSD	| 0.415