@<TRIPOS>MOLECULE
BindingDB_24056
 51 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        16.1231   14.9354  110.3797  O     
2    C        20.0211   14.7265  108.3134  C     
3    C        19.0344   15.7500  108.5879  C     
4    C        19.7043   13.6546  109.0477  C     
5    N        18.0941   15.1905  109.5113  N     
6    C        18.6387   13.5175  111.2475  C     
7    C        17.8847   12.4760  111.8474  C     
8    C        19.4910   14.2830  112.0808  C     
9    C        19.5994   14.0123  113.4601  C     
10   C        18.8537   12.9635  114.0320  C     
11   C        17.9935   12.2005  113.2276  C     
12   C        21.0879   14.8612  107.3902  C     
13   C        23.3134   14.2483  106.5121  C     
14   C        23.1843   15.1553  105.4570  C     
15   C        22.0259   15.9472  105.3664  C     
16   C        21.0044   15.8040  106.3237  C     
17   C        22.2903   14.0976  107.4707  C     
18   F        22.5428   13.2782  108.4540  F     
19   F        21.9060   16.8253  104.4064  F     
20   C        16.9049   15.7194  109.8460  C     
21   N        16.4557   16.9826  109.6403  N     
22   C        17.3450   18.1256  109.5863  C     
23   C        18.4824   13.8250  109.7891  C     
24   C        15.0365   17.2498  109.4685  C     
25   C        12.7981   17.8761  110.6899  C     
26   C        14.3602   17.9042  110.7119  C     
27   N        12.2047   18.1804  109.3737  N     
28   H        19.5341   16.6196  109.0136  H     
29   H        18.5052   16.0229  107.6717  H     
30   H        20.1710   12.7766  109.0173  H     
31   H        17.2437   11.9125  111.2872  H     
32   H        20.0391   15.0567  111.6903  H     
33   H        20.2214   14.5714  114.0513  H     
34   H        18.9256   12.7656  115.0359  H     
35   H        17.4394   11.4420  113.6399  H     
36   H        24.1841   13.7141  106.5941  H     
37   H        23.9237   15.2563  104.7598  H     
38   H        20.1899   16.4068  106.2223  H     
39   H        18.1213   18.0715  110.3648  H     
40   H        16.7911   19.0693  109.7380  H     
41   H        17.8125   18.1935  108.5954  H     
42   H        17.7406   13.1464  109.3404  H     
43   H        14.9077   17.9206  108.6121  H     
44   H        14.4619   16.3431  109.2179  H     
45   H        12.4472   16.8820  110.9812  H     
46   H        12.4020   18.6103  111.3999  H     
47   H        14.6946   17.3681  111.6096  H     
48   H        14.7136   18.9383  110.8144  H     
49   H        12.5894   19.0633  108.9999  H     
50   H        11.1814   18.2702  109.4786  H     
51   H        12.4106   17.4045  108.7249  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   23 1
     7    5   20 1
     8    5   23 1
     9    6    7 2
    10    6    8 1
    11   23    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   21 am
    25   21   22 1
    26   21   24 1
    27   24   26 1
    28   25   26 1
    29   25   27 1
    30    3   28 1
    31    3   29 1
    32    4   30 1
    33    7   31 1
    34    8   32 1
    35    9   33 1
    36   10   34 1
    37   11   35 1
    38   13   36 1
    39   14   37 1
    40   16   38 1
    41   22   39 1
    42   22   40 1
    43   22   41 1
    44   23   42 1
    45   24   43 1
    46   24   44 1
    47   25   45 1
    48   25   46 1
    49   26   47 1
    50   26   48 1
    51   27   49 1
    52   27   50 1
    53   27   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0294
  Crash		| -0.5938
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.404