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


@<TRIPOS>ATOM
1    O        16.8602   17.5121  109.0212  O     
2    C        20.0048   15.2401  107.8853  C     
3    C        18.9919   16.2650  108.0542  C     
4    C        19.5820   14.1560  108.5454  C     
5    N        17.9029   15.6406  108.7610  N     
6    C        18.3019   14.0324  110.5943  C     
7    C        17.5409   12.9698  111.1442  C     
8    C        19.1516   14.7609  111.4646  C     
9    C        19.2309   14.4450  112.8350  C     
10   C        18.4745   13.3862  113.3594  C     
11   C        17.6186   12.6543  112.5153  C     
12   C        21.1659   15.3775  107.0820  C     
13   C        23.3153   14.5572  106.1643  C     
14   C        23.3931   15.6618  105.3033  C     
15   C        22.4026   16.6462  105.3415  C     
16   C        21.3106   16.5100  106.2219  C     
17   C        22.2262   14.4240  107.0470  C     
18   F        22.2888   13.3871  107.8386  F     
19   F        22.4826   17.6863  104.5465  F     
20   C        16.7439   16.2876  109.0164  C     
21   N        15.4929   15.8004  109.2348  N     
22   C        14.4931   16.7013  109.7940  C     
23   C        18.2761   14.3044  109.1186  C     
24   C        15.0102   14.5030  108.7640  C     
25   C        16.0278   14.2728  106.3133  C     
26   C        14.7723   14.4160  107.2227  C     
27   N        16.3181   12.8898  105.9015  N     
28   H        19.3994   17.1140  108.6144  H     
29   H        18.6157   16.6047  107.0794  H     
30   H        20.0441   13.2937  108.5619  H     
31   H        16.9236   12.4105  110.5497  H     
32   H        19.7241   15.5277  111.1045  H     
33   H        19.8653   14.9655  113.4428  H     
34   H        18.5378   13.1454  114.3532  H     
35   H        17.0721   11.8796  112.8930  H     
36   H        24.0558   13.8558  106.1363  H     
37   H        24.1842   15.7462  104.6577  H     
38   H        20.6185   17.2576  106.2088  H     
39   H        14.8505   17.1124  110.7455  H     
40   H        13.5259   16.2345  109.9948  H     
41   H        14.3037   17.5284  109.1015  H     
42   H        17.6745   13.5739  108.5792  H     
43   H        15.6389   13.6826  109.0862  H     
44   H        14.0496   14.2628  109.2303  H     
45   H        15.8690   14.8506  105.3985  H     
46   H        16.9087   14.6640  106.8160  H     
47   H        14.1087   13.5616  107.0227  H     
48   H        14.2229   15.3132  106.9143  H     
49   H        16.3613   12.2695  106.7138  H     
50   H        17.2200   12.8614  105.4033  H     
51   H        15.5811   12.5583  105.2658  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	| 8.0927
  Crash		| -1.2108
  Polar		| 2.9821
  FragIndex	| 1
  FragRMSD	| 0.192