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


@<TRIPOS>ATOM
1    C        -2.7497    9.6054   14.0718  C     
2    C        -2.0050   10.4397   14.9259  C     
3    C        -1.1981    9.8730   15.9280  C     
4    C        -1.0951    8.4719   16.0343  C     
5    C        -1.7837    7.6435   15.1286  C     
6    C        -2.6448    8.1941   14.1500  C     
7    C        -3.3474    7.3240   13.1643  C     
8    N        -3.8248    6.1204   13.7755  N     
9    C        -4.9658    5.4660   13.5415  C     
10   O        -5.7867    5.9307   12.7460  O     
11   C        -5.2327    4.2877   14.2454  C     
12   C        -6.5176    4.0423   14.7924  C     
13   C        -4.2161    3.3166   14.4870  C     
14   C        -4.4780    2.1678   15.2581  C     
15   C        -5.7571    1.9509   15.8049  C     
16   C        -6.7710    2.9036   15.5841  C     
17   S        -6.0941    0.5086   16.7195  S     
18   O        -5.2977    0.6653   18.0829  O     
19   O        -7.6386    0.3130   17.0396  O     
20   N        -5.4353   -0.8631   16.0101  N     
21   F        -1.5776    6.3551   15.1709  F     
22   F        -2.0508   11.7393   14.7900  F     
23   H        -3.3307   10.0432   13.3522  H     
24   H        -0.6661   10.4717   16.5726  H     
25   H        -0.5034    8.0579   16.7628  H     
26   H        -4.1480    7.8781   12.6586  H     
27   H        -2.6181    7.0254   12.4054  H     
28   H        -3.2156    5.7116   14.4254  H     
29   H        -7.2802    4.7107   14.6393  H     
30   H        -3.2709    3.4368   14.1102  H     
31   H        -3.7124    1.5093   15.4335  H     
32   H        -7.6978    2.7866   15.9974  H     
33   H        -5.1280   -1.5858   16.5841  H     
34   H        -5.1161   -0.8319   15.0936  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	| 5.5647
  Crash		| -1.8168
  Polar		| 3.1811
  FragIndex	| 1
  FragRMSD	| 0.325