@<TRIPOS>MOLECULE
BindingDB_24055
 59 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        15.8510   13.8597  109.5744  O     
2    C        19.8294   14.7445  107.9595  C     
3    C        18.5966   15.5075  108.0623  C     
4    C        19.7493   13.7194  108.8090  C     
5    N        17.7236   14.7269  108.8955  N     
6    C        18.5292   13.5541  110.9140  C     
7    C        17.8559   12.5246  111.6176  C     
8    C        19.2555   14.5165  111.6626  C     
9    C        19.3239   14.4375  113.0661  C     
10   C        18.6461   13.4069  113.7453  C     
11   C        17.9069   12.4558  113.0216  C     
12   C        20.9416   15.0672  107.1417  C     
13   C        23.1161   14.5234  106.0785  C     
14   C        23.1956   15.8145  105.5349  C     
15   C        22.1440   16.7254  105.7454  C     
16   C        21.0372   16.3515  106.5329  C     
17   C        22.0034   14.1475  106.8628  C     
18   F        22.0004   12.8942  107.2379  F     
19   F        22.1986   17.9095  105.2038  F     
20   C        16.3733   14.8157  109.0068  C     
21   N        15.4900   15.7499  108.5685  N     
22   C        14.0969   15.3615  108.3430  C     
23   C        18.4654   13.6011  109.4194  C     
24   C        15.8255   17.1630  108.4090  C     
25   C        15.6267   19.5002  109.3995  C     
26   C        14.7115   19.1458  107.1095  C     
27   C        15.4363   17.7710  107.0143  C     
28   C        15.2731   18.0037  109.5999  C     
29   N        15.3570   20.0331  108.0692  N     
30   C        15.6805   21.3158  107.7907  C     
31   C        15.3309   22.0199  106.5613  C     
32   O        16.2728   21.9954  108.6243  O     
33   H        18.8219   16.4713  108.5449  H     
34   H        18.1655   15.6402  107.0699  H     
35   H        20.4707   13.0761  109.0090  H     
36   H        17.3164   11.8193  111.1125  H     
37   H        19.7473   15.2786  111.1890  H     
38   H        19.8665   15.1189  113.5973  H     
39   H        18.6914   13.3465  114.7654  H     
40   H        17.4200   11.7069  113.5141  H     
41   H        23.8825   13.8556  105.9061  H     
42   H        24.0033   16.0778  104.9666  H     
43   H        20.2940   17.0491  106.6638  H     
44   H        14.0635   14.5420  107.6202  H     
45   H        13.4731   16.1632  107.9389  H     
46   H        13.6315   15.0342  109.2741  H     
47   H        18.0351   12.6765  109.0172  H     
48   H        16.9017   17.3042  108.4941  H     
49   H        15.0757   20.0847  110.1453  H     
50   H        16.6932   19.6049  109.6080  H     
51   H        14.6540   19.5536  106.0940  H     
52   H        13.6810   18.9841  107.4425  H     
53   H        16.3434   17.9034  106.4229  H     
54   H        14.7925   17.0856  106.4543  H     
55   H        14.1903   17.9080  109.6740  H     
56   H        15.6967   17.6481  110.5400  H     
57   H        15.8414   21.5770  105.7070  H     
58   H        15.6106   23.0799  106.6000  H     
59   H        14.2530   21.9676  106.4049  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   27 1
    28   24   28 1
    29   25   28 1
    30   25   29 1
    31   26   27 1
    32   26   29 1
    33   29   30 am
    34   30   31 1
    35   30   32 2
    36    3   33 1
    37    3   34 1
    38    4   35 1
    39    7   36 1
    40    8   37 1
    41    9   38 1
    42   10   39 1
    43   11   40 1
    44   13   41 1
    45   14   42 1
    46   16   43 1
    47   22   44 1
    48   22   45 1
    49   22   46 1
    50   23   47 1
    51   24   48 1
    52   25   49 1
    53   25   50 1
    54   26   51 1
    55   26   52 1
    56   27   53 1
    57   27   54 1
    58   28   55 1
    59   28   56 1
    60   31   57 1
    61   31   58 1
    62   31   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7938
  Crash		| -1.5402
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.299