@<TRIPOS>MOLECULE
BindingDB_24060
 47 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        15.8806   14.5675  110.3471  O     
2    C        19.7112   14.5003  108.0036  C     
3    C        18.5371   15.3394  108.0969  C     
4    C        19.5341   13.4688  108.8369  C     
5    N        17.7081   14.7399  109.0968  N     
6    C        18.4887   13.4441  111.0367  C     
7    C        17.8564   12.4259  111.7897  C     
8    C        19.2381   14.4233  111.7427  C     
9    C        19.3574   14.3738  113.1458  C     
10   C        18.7173   13.3553  113.8734  C     
11   C        17.9667   12.3801  113.1933  C     
12   C        20.8086   14.7488  107.1412  C     
13   C        23.1655   14.4566  106.4222  C     
14   C        22.9869   15.3534  105.3588  C     
15   C        21.7419   15.9784  105.1922  C     
16   C        20.6723   15.6674  106.0584  C     
17   C        22.0985   14.1588  107.3021  C     
18   F        22.3978   13.3687  108.3002  F     
19   F        21.5807   16.8453  104.2250  F     
20   C        16.5083   15.1995  109.5016  C     
21   C        18.2940   13.5175  109.5568  C     
22   C        15.8924   16.4552  109.0755  C     
23   N        14.4822   16.2579  108.6957  N     
24   C        15.9849   17.5019  110.2202  C     
25   C        17.2343   18.4059  110.2908  C     
26   C        15.8798   19.0029  109.8608  C     
27   H        18.8228   16.3476  108.3872  H     
28   H        18.0023   15.3542  107.1423  H     
29   H        20.1478   12.6938  108.9227  H     
30   H        17.2963   11.7050  111.3255  H     
31   H        19.7053   15.1805  111.2345  H     
32   H        19.9035   15.0847  113.6408  H     
33   H        18.8009   13.3189  114.8950  H     
34   H        17.4881   11.6440  113.7248  H     
35   H        24.0833   14.0215  106.5542  H     
36   H        23.7706   15.5720  104.7376  H     
37   H        19.7860   16.1427  105.8731  H     
38   H        17.6748   12.6800  109.2109  H     
39   H        16.3861   16.8505  108.1831  H     
40   H        14.4249   15.5508  107.9560  H     
41   H        14.0938   17.1397  108.3556  H     
42   H        13.9451   15.9421  109.5144  H     
43   H        15.5394   17.2622  111.1938  H     
44   H        17.5670   18.6815  111.2998  H     
45   H        17.9680   18.3471  109.4796  H     
46   H        15.7975   19.2477  108.7923  H     
47   H        15.4235   19.6613  110.6033  H     
@<TRIPOS>BOND
     1    1   20 2
     2    2    3 1
     3    2    4 2
     4    2   12 1
     5    3    5 1
     6    4   21 1
     7    5   20 am
     8    5   21 1
     9    6    7 2
    10    6    8 1
    11   21    6 1
    12    7   11 1
    13    8    9 2
    14    9   10 1
    15   10   11 2
    16   12   16 2
    17   12   17 1
    18   13   14 1
    19   13   17 2
    20   14   15 2
    21   15   16 1
    22   15   19 1
    23   17   18 1
    24   20   22 1
    25   22   23 1
    26   22   24 1
    27   24   25 1
    28   24   26 1
    29   25   26 1
    30    3   27 1
    31    3   28 1
    32    4   29 1
    33    7   30 1
    34    8   31 1
    35    9   32 1
    36   10   33 1
    37   11   34 1
    38   13   35 1
    39   14   36 1
    40   16   37 1
    41   21   38 1
    42   22   39 1
    43   23   40 1
    44   23   41 1
    45   23   42 1
    46   24   43 1
    47   25   44 1
    48   25   45 1
    49   26   46 1
    50   26   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1482
  Crash		| -0.8847
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.115