@<TRIPOS>MOLECULE
BindingDB_13064
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.4755    4.4965   15.9288  C     
2    C        16.8811    4.5106   16.0360  C     
3    C        17.6255    5.5507   15.4465  C     
4    C        15.5762    6.5263   14.5738  C     
5    C        14.8318    5.5003   15.1791  C     
6    S        14.5385    3.3123   16.7964  S     
7    O        12.9773    3.5179   16.5843  O     
8    O        14.8762    1.8347   16.3194  O     
9    C        16.9801    6.5781   14.7188  C     
10   C        19.0733    9.3150   14.2172  C     
11   C        18.4075    9.3363   12.9859  C     
12   C        17.5192    8.2672   13.0528  C     
13   N        17.6843    7.6442   14.2351  N     
14   N        18.5940    8.2695   14.9170  N     
15   C        20.0584   10.2665   14.7763  C     
16   F        20.0930   10.2038   16.1481  F     
17   F        21.3118    9.9651   14.3156  F     
18   F        19.7528   11.5625   14.4437  F     
19   C        14.8144    3.4900   18.5660  C     
20   C        18.5363   10.2281   11.8865  C     
21   C        17.3876   10.7132   11.2143  C     
22   C        19.8085   10.6321   11.4154  C     
23   C        19.9297   11.5086   10.3215  C     
24   C        18.7784   11.9935    9.6756  C     
25   C        17.5064   11.5931   10.1227  C     
26   F        18.8902   12.8077    8.6623  F     
27   H        17.3676    3.7936   16.5801  H     
28   H        18.6416    5.5626   15.5648  H     
29   H        15.0786    7.2659   14.0717  H     
30   H        13.8160    5.5174   15.0957  H     
31   H        16.8661    7.9876   12.3157  H     
32   H        15.7435    2.9959   18.8468  H     
33   H        13.9830    3.0344   19.0986  H     
34   H        14.8670    4.5472   18.8284  H     
35   H        16.4505   10.4458   11.5267  H     
36   H        20.6622   10.2741   11.8463  H     
37   H        20.8580   11.7870    9.9950  H     
38   H        16.6652   11.9405    9.6571  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    1    6 1
     4    2    3 2
     5    3    9 1
     6    4    5 1
     7    4    9 2
     8    6    7 2
     9    6    8 2
    10    6   19 1
    11    9   13 1
    12   10   11 1
    13   10   14 2
    14   10   15 1
    15   11   12 2
    16   11   20 1
    17   12   13 1
    18   13   14 1
    19   15   16 1
    20   15   17 1
    21   15   18 1
    22   20   21 1
    23   20   22 2
    24   21   25 2
    25   22   23 1
    26   23   24 2
    27   24   25 1
    28   24   26 1
    29    2   27 1
    30    3   28 1
    31    4   29 1
    32    5   30 1
    33   12   31 1
    34   19   32 1
    35   19   33 1
    36   19   34 1
    37   21   35 1
    38   22   36 1
    39   23   37 1
    40   25   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5749
  Crash		| -1.8239
  Polar		| 2.1143
  FragIndex	| 1
  FragRMSD	| 0.684