1    54  18-Crown-6
2     1  O     -0.602930    2.386830    1.024620     6     2    18    43    44
3     2  C     -0.331250    3.196430   -0.116250     1     1     3    19    20
4     3  C      1.190590    3.150400   -0.376530     1     2     4    21    22
5     4  O      1.557850    1.789250   -0.570700     6     3     5    45    46
6     5  C      2.954410    1.573570   -0.752100     1     4     6    23    24
7     6  C      3.185090    0.050110   -0.836620     1     5     7    25    26
8     7  O      2.628830   -0.520800    0.343520     6     6     8    47    48
9     8  C      2.996140   -1.871300    0.591390     1     7     9    27    28
10     9  C      1.934840   -2.483770    1.526360     1     8    10    29    30
11    10  O      0.605790   -2.389140    1.016960     6     9    11    49    50
12    11  C      0.332830   -3.193780   -0.127090     1    10    12    31    32
13    12  C     -1.189680   -3.148480   -0.383790     1    11    13    33    34
14    13  O     -1.559330   -1.787270   -0.573120     6    12    14    51    52
15    14  C     -2.957060   -1.573010   -0.747570     1    13    15    35    36
16    15  C     -3.190380   -0.049790   -0.829590     1    14    16    37    38
17    16  O     -2.627720    0.520680    0.347700     6    15    17    53    54
18    17  C     -2.993490    1.871030    0.598320     1    16    18    39    40
19    18  C     -1.931580    2.479140    1.535490     1     1    17    41    42
20    19  H     -0.880010    2.794590   -1.002210     5     2
21    20  H     -0.657340    4.246660    0.079610     5     2
22    21  H      1.455720    3.739300   -1.288500     5     3
23    22  H      1.739600    3.567150    0.503480     5     3
24    23  H      3.293180    2.082250   -1.687270     5     5
25    24  H      3.515840    1.988640    0.120640     5     5
26    25  H      2.655540   -0.374550   -1.725490     5     6
27    26  H      4.274640   -0.186340   -0.905650     5     6
28    27  H      3.989680   -1.869280    1.106880     5     8
29    28  H      3.093850   -2.450720   -0.356590     5     8
30    29  H      1.932670   -1.903240    2.481820     5     9
31    30  H      2.163160   -3.544990    1.786720     5     9
32    31  H      0.879600   -2.787330   -1.012220     5    11
33    32  H      0.660410   -4.244550    0.063320     5    11
34    33  H     -1.456350   -3.734970   -1.296850     5    12
35    34  H     -1.736050   -3.568610    0.496260     5    12
36    35  H     -3.299910   -2.081350   -1.681440     5    14
37    36  H     -3.513610   -1.989500    0.127620     5    14
38    37  H     -2.666950    0.376370   -1.721340     5    15
39    38  H     -4.280660    0.185240   -0.891600     5    15
40    39  H     -3.987430    1.869520    1.112990     5    17
41    40  H     -3.089430    2.452590   -0.348530     5    17
42    41  H     -1.928810    1.893950    2.488120     5    18
43    42  H     -2.159560    3.539090    1.801150     5    18
44    43  Lp    -0.571510    1.826740    0.810110    20     1
45    44  Lp    -0.265390    2.639630    1.453650    20     1
46    45  Lp     1.448100    1.539080   -0.035360    20     4
47    46  Lp     1.321180    1.650880   -1.105370    20     4
48    47  Lp     2.895600   -0.214800    0.786860    20     7
49    48  Lp     2.044490   -0.562500    0.214860    20     7
50    49  Lp     0.268610   -2.643710    1.445200    20    10
51    50  Lp     0.574250   -1.828140    0.804860    20    10
52    51  Lp    -1.447360   -1.538180   -0.037730    20    13
53    52  Lp    -1.325310   -1.647390   -1.108570    20    13
54    53  Lp    -2.892140    0.214540    0.792360    20    16
55    54  Lp    -2.044080    0.562410    0.215830    20    16
56