@<TRIPOS>MOLECULE
BindingDB_7136
 33 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5528   45.9857   22.3912  C     
2    C        12.7751   45.9275   23.5360  C     
3    C        11.6017   46.6180   23.2485  C     
4    N        12.8466   46.6786   21.4883  N     
5    N        11.7101   47.0607   21.9823  N     
6    N        10.5127   46.8867   24.0111  N     
7    C        10.2118   46.4281   25.2238  C     
8    O        10.8978   45.5595   25.7498  O     
9    C        14.9182   45.4674   22.2035  C     
10   C        15.3264   44.0972   22.7749  C     
11   C        15.0232   44.2439   21.2783  C     
12   C         9.0778   46.8793   25.9030  C     
13   C         8.6416   48.2260   25.8009  C     
14   C         8.3454   46.0082   26.7473  C     
15   C         7.2279   46.4632   27.4630  C     
16   C         6.8241   47.8042   27.3586  C     
17   C         7.5285   48.7114   26.5324  C     
18   C         7.1459   50.1503   26.4313  C     
19   F         6.0640   50.5111   27.1996  F     
20   F         8.1950   50.9457   26.8277  F     
21   F         6.8284   50.4649   25.1332  F     
22   H        13.0438   45.4934   24.4189  H     
23   H        13.1515   46.8821   20.5912  H     
24   H         9.8579   47.4766   23.6041  H     
25   H        15.7270   46.1868   22.0529  H     
26   H        16.3821   43.9818   23.0294  H     
27   H        14.5745   43.5490   23.3517  H     
28   H        14.0972   43.7531   20.9643  H     
29   H        15.9017   44.1859   20.6320  H     
30   H         9.1656   48.8820   25.2118  H     
31   H         8.6131   45.0243   26.8399  H     
32   H         6.7065   45.8179   28.0615  H     
33   H         6.0124   48.1082   27.8997  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    9 1
     4    2    3 1
     5    3    5 2
     6    3    6 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7   12 1
    11    9   10 1
    12    9   11 1
    13   10   11 1
    14   12   13 2
    15   12   14 1
    16   13   17 1
    17   14   15 2
    18   15   16 1
    19   16   17 2
    20   17   18 1
    21   18   19 1
    22   18   20 1
    23   18   21 1
    24    2   22 1
    25    4   23 1
    26    6   24 1
    27    9   25 1
    28   10   26 1
    29   10   27 1
    30   11   28 1
    31   11   29 1
    32   13   30 1
    33   14   31 1
    34   15   32 1
    35   16   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4141
  Crash		| -0.6701
  Polar		| 3.3667
  FragIndex	| 1
  FragRMSD	| 0.531