@<TRIPOS>MOLECULE
BindingDB_50267383
 60 64 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.3458   24.4297   14.6785  C     
2    C        32.5029   23.5311   14.0861  C     
3    C        33.0025   22.4477   15.0768  C     
4    C        31.8617   21.5232   15.5962  C     
5    C        30.6931   22.3446   15.9903  C     
6    O        30.5251   23.6181   15.5569  O     
7    C        35.2698   31.2525   17.2865  C     
8    C        34.8116   32.3236   16.5054  C     
9    C        34.0169   32.0674   15.3781  C     
10   C        34.9113   29.9333   16.9558  C     
11   C        34.0640   29.6456   15.8526  C     
12   C        33.6501   30.7431   15.0352  C     
13   C        32.7796   30.5815   13.8398  C     
14   C        32.5424   29.1201   13.3900  C     
15   C        33.6859   28.2261   15.4802  C     
16   C        32.3651   28.1922   14.6220  C     
17   C        33.1283   25.7664   16.2394  C     
18   C        33.6085   27.1934   16.6617  C     
19   C        31.7882   25.7662   15.4224  C     
20   C        32.0026   26.7284   14.2103  C     
21   C        30.7643   26.4807   13.3233  C     
22   C        30.4282   24.9816   13.5244  C     
23   C        30.6323   26.2243   16.4048  C     
24   O        35.1419   33.5963   16.8269  O     
25   O        29.8196   21.8794   16.9123  O     
26   C        31.5047   20.4119   14.5573  C     
27   C        30.5233   19.4511   15.0399  C     
28   C        29.3488   19.2232   14.4514  C     
29   H        32.1476   22.9976   13.2017  H     
30   H        33.3501   24.1299   13.7550  H     
31   H        33.7594   21.8396   14.5815  H     
32   H        33.4869   22.9302   15.9288  H     
33   H        32.2432   21.0290   16.5015  H     
34   H        35.8767   31.4320   18.0903  H     
35   H        33.7029   32.8560   14.8065  H     
36   H        35.2923   29.1872   17.5383  H     
37   H        31.8113   31.0366   14.0705  H     
38   H        33.2116   31.1262   12.9953  H     
39   H        31.6521   29.0968   12.7564  H     
40   H        33.3910   28.7824   12.7895  H     
41   H        34.4999   27.8730   14.8401  H     
42   H        31.5414   28.6035   15.2108  H     
43   H        33.9336   25.3296   15.6466  H     
44   H        33.0177   25.1462   17.1329  H     
45   H        34.6020   27.0672   17.0986  H     
46   H        32.9645   27.5891   17.4490  H     
47   H        32.8593   26.3786   13.6216  H     
48   H        29.9315   27.1128   13.6396  H     
49   H        30.9781   26.6997   12.2739  H     
50   H        30.5641   24.4462   12.5801  H     
51   H        29.3727   24.8871   13.7917  H     
52   H        29.6589   26.2403   15.9124  H     
53   H        30.7905   27.2154   16.8220  H     
54   H        30.5581   25.5352   17.2487  H     
55   H        34.7000   33.7597   17.6947  H     
56   H        31.1667   20.8778   13.6270  H     
57   H        32.4094   19.8415   14.3233  H     
58   H        30.7554   18.9254   15.8471  H     
59   H        28.7187   18.5515   14.8303  H     
60   H        29.0749   19.7168   13.6348  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    1   19 1
     4    1   22 1
     5    2    3 1
     6    3    4 1
     7    4    5 1
     8    4   26 1
     9    5    6 1
    10    5   25 2
    11    7    8 2
    12    7   10 1
    13    8    9 1
    14    8   24 1
    15    9   12 2
    16   10   11 2
    17   11   12 1
    18   11   15 1
    19   12   13 1
    20   13   14 1
    21   14   16 1
    22   15   16 1
    23   15   18 1
    24   16   20 1
    25   17   18 1
    26   17   19 1
    27   19   20 1
    28   19   23 1
    29   20   21 1
    30   21   22 1
    31   26   27 1
    32   27   28 2
    33    2   29 1
    34    2   30 1
    35    3   31 1
    36    3   32 1
    37    4   33 1
    38    7   34 1
    39    9   35 1
    40   10   36 1
    41   13   37 1
    42   13   38 1
    43   14   39 1
    44   14   40 1
    45   15   41 1
    46   16   42 1
    47   17   43 1
    48   17   44 1
    49   18   45 1
    50   18   46 1
    51   20   47 1
    52   21   48 1
    53   21   49 1
    54   22   50 1
    55   22   51 1
    56   23   52 1
    57   23   53 1
    58   23   54 1
    59   24   55 1
    60   26   56 1
    61   26   57 1
    62   27   58 1
    63   28   59 1
    64   28   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.0740
  Crash		| -0.8517
  Polar		| 0.9750
  FragIndex	| 1
  FragRMSD	| 0.846