@<TRIPOS>MOLECULE
BindingDB_17285
 62 66 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        34.9485   29.8255   17.0206  C     
2    C        35.3009   31.1519   17.3241  C     
3    C        34.8791   32.2303   16.5138  C     
4    C        34.0965   31.9069   15.3752  C     
5    C        34.1408   29.5018   15.9010  C     
6    C        33.7367   30.5765   15.0561  C     
7    C        32.8855   30.3699   13.8469  C     
8    C        32.6571   28.8904   13.4386  C     
9    C        32.4853   27.9914   14.6949  C     
10   C        33.8035   28.0736   15.5512  C     
11   C        33.3247   25.6214   16.3606  C     
12   C        33.7724   27.0620   16.7519  C     
13   C        32.1414   26.5076   14.3354  C     
14   C        30.8875   26.2136   13.4898  C     
15   C        30.5908   24.7123   13.7361  C     
16   C        35.2102   33.5575   16.8131  C     
17   N        35.8744   33.9275   17.8931  N     
18   O        34.8787   34.4806   16.0840  O     
19   C        31.5212   24.2155   14.9003  C     
20   C        30.7074   22.0546   15.9781  C     
21   C        32.6908   23.3196   14.3473  C     
22   C        32.2065   21.8932   13.9670  C     
23   O        30.7342   23.4066   15.8079  O     
24   C        31.5508   21.1252   15.1702  C     
25   C        30.6603   19.9600   14.6288  C     
26   C        32.6543   20.5262   16.0999  C     
27   C        31.9633   25.5818   15.5825  C     
28   C        30.8224   26.0510   16.5770  C     
29   O        29.9156   21.5834   16.9682  O     
30   H        35.3079   29.0968   17.6359  H     
31   H        35.8842   31.3137   18.1494  H     
32   H        33.7745   32.6593   14.7568  H     
33   H        31.9084   30.8321   14.0411  H     
34   H        33.3299   30.8934   12.9895  H     
35   H        31.7690   28.8390   12.8003  H     
36   H        33.5116   28.5471   12.8465  H     
37   H        31.6550   28.4100   15.2670  H     
38   H        34.6283   27.7402   14.9127  H     
39   H        34.1286   25.2161   15.7429  H     
40   H        33.2620   24.9989   17.2583  H     
41   H        34.7758   26.9608   17.1710  H     
42   H        33.1324   27.4501   17.5454  H     
43   H        32.9935   26.1458   13.7451  H     
44   H        30.0499   26.8335   13.8210  H     
45   H        31.0653   26.4126   12.4301  H     
46   H        29.5363   24.5917   14.0010  H     
47   H        30.7535   24.1589   12.8089  H     
48   H        36.0416   34.8685   18.0528  H     
49   H        36.2059   33.2717   18.5216  H     
50   H        33.1635   23.7864   13.4809  H     
51   H        33.4587   23.1925   15.1084  H     
52   H        31.4919   21.9782   13.1454  H     
53   H        33.0582   21.3271   13.5777  H     
54   H        30.2347   19.3755   15.4490  H     
55   H        31.2493   19.2832   14.0072  H     
56   H        29.8353   20.3463   14.0257  H     
57   H        33.2949   21.3096   16.5096  H     
58   H        33.2885   19.8305   15.5455  H     
59   H        32.2119   19.9839   16.9396  H     
60   H        30.7914   25.3990   17.4529  H     
61   H        29.8363   26.0195   16.1125  H     
62   H        30.9628   27.0654   16.9442  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    3    4 1
     5    3   16 1
     6    4    6 2
     7    5    6 1
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13    9   13 1
    14   10   12 1
    15   11   12 1
    16   11   27 1
    17   13   14 1
    18   13   27 1
    19   14   15 1
    20   15   19 1
    21   16   17 am
    22   16   18 2
    23   19   21 1
    24   19   23 1
    25   19   27 1
    26   20   23 1
    27   20   24 1
    28   20   29 2
    29   21   22 1
    30   22   24 1
    31   24   25 1
    32   24   26 1
    33   27   28 1
    34    1   30 1
    35    2   31 1
    36    4   32 1
    37    7   33 1
    38    7   34 1
    39    8   35 1
    40    8   36 1
    41    9   37 1
    42   10   38 1
    43   11   39 1
    44   11   40 1
    45   12   41 1
    46   12   42 1
    47   13   43 1
    48   14   44 1
    49   14   45 1
    50   15   46 1
    51   15   47 1
    52   17   48 1
    53   17   49 1
    54   21   50 1
    55   21   51 1
    56   22   52 1
    57   22   53 1
    58   25   54 1
    59   25   55 1
    60   25   56 1
    61   26   57 1
    62   26   58 1
    63   26   59 1
    64   28   60 1
    65   28   61 1
    66   28   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8010
  Crash		| -0.4755
  Polar		| 1.2270
  FragIndex	| 1
  FragRMSD	| 0.121