0 mol 26 unq 0 iso 0 dist 7.37634 6.21692 7.26165 15.2261 13.7643 9.32718 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.15347 5.06613 5.80534 11.018 8.7139 8.51496 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.32519 8.33049 6.35779 9.51503 4.32751 8.67162 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 8.32519 8.33049 6.35779 12.3972 4.83294 8.79114 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 4.9983 5.16912 8.18214 6.27321 3.99506 7.07989 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 5.38363 5.10938 5.75135 12.6671 10.4849 8.91502 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 9.87737 6.11801 9.79317 5.76805 10.0384 8.60535 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 7.34645 3.99657 7.69436 5.40928 6.36433 8.60535 numMergedOcc 0
8 mol 70 unq 2 iso 0 dist 6.7303 6.11801 7.69436 5.76805 6.36433 8.60535 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.5259 7.65653 5.04673 10.4318 4.30488 5.93987 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.5259 7.65653 5.04673 11.1087 5.09449 7.7913 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 4.96173 5.27016 7.29864 6.15011 3.79182 5.62309 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 4.96173 5.27016 7.29864 11.0503 9.74373 7.11438 numMergedOcc 0
13 mol 92 unq 4 iso 0 dist 4.96173 8.99211 6.04223 10.6257 6.882 5.59552 numMergedOcc 0
14 mol 92 unq 5 iso 0 dist 4.55309 6.39099 7.29864 6.14674 3.79182 5.62309 numMergedOcc 0
15 mol 92 unq 6 iso 0 dist 4.55309 6.39099 7.29864 9.98776 9.74373 7.11438 numMergedOcc 0
16 mol 92 unq 7 iso 0 dist 4.55309 6.13489 6.04223 9.96547 6.882 5.59552 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 6.36631 8.77924 7.96893 10.8474 6.29259 9.66068 numMergedOcc 0
18 mol 113 unq 1 iso 0 dist 6.36631 8.77924 7.96893 10.7006 8.17309 8.03783 numMergedOcc 0
19 mol 116 unq 0 iso 0 dist 9.86241 5.08735 8.24233 10.5444 4.13755 7.6005 numMergedOcc 0
20 mol 128 unq 0 iso 0 dist 4.26814 9.33619 8.46801 14.5932 12.2606 9.49761 numMergedOcc 0
21 mol 128 unq 1 iso 0 dist 4.26814 9.33619 8.46801 9.59568 6.30769 6.03154 numMergedOcc 0
22 mol 128 unq 2 iso 0 dist 7.66528 4.9915 8.46801 13.2029 12.2606 9.49761 numMergedOcc 0
23 mol 128 unq 3 iso 0 dist 7.66528 4.9915 8.46801 4.89256 6.30769 6.03154 numMergedOcc 0
24 mol 128 unq 4 iso 0 dist 9.40919 10.642 8.46801 19.0911 12.2606 9.49761 numMergedOcc 0
25 mol 128 unq 5 iso 0 dist 9.40919 10.642 8.46801 10.5911 6.30769 6.03154 numMergedOcc 0
26 mol 169 unq 0 iso 0 dist 6.85177 9.83306 7.50458 15.6911 14.0793 7.91434 numMergedOcc 0
27 mol 169 unq 1 iso 0 dist 6.85177 9.83306 7.50458 13.2863 14.1141 7.79437 numMergedOcc 0
28 mol 169 unq 2 iso 0 dist 8.88729 9.83306 5.79554 15.6911 13.629 7.91434 numMergedOcc 0
29 mol 169 unq 3 iso 0 dist 8.88729 9.83306 5.79554 13.2863 13.1539 7.79437 numMergedOcc 0
30 mol 169 unq 4 iso 0 dist 7.07933 14.3008 7.33643 9.71763 3.83687 5.51388 numMergedOcc 0
31 mol 176 unq 0 iso 0 dist 8.89489 4.60703 8.13136 11.6125 4.6417 9.30303 numMergedOcc 0
32 mol 180 unq 0 iso 0 dist 5.70326 4.10999 6.91244 12.0538 9.19793 9.54753 numMergedOcc 0
33 mol 180 unq 1 iso 0 dist 5.70326 4.10999 6.91244 8.92145 3.77126 8.79411 numMergedOcc 0
34 mol 184 unq 0 iso 0 dist 8.77932 3.76321 9.10344 6.71675 5.69882 8.95598 numMergedOcc 0
35 mol 237 unq 0 iso 0 dist 9.763 13.012 9.33231 10.6518 3.68966 8.42502 numMergedOcc 0
36 mol 257 unq 0 iso 0 dist 6.73777 14.832 9.82105 10.6679 3.96862 8.4302 numMergedOcc 0
37 mol 260 unq 0 iso 0 dist 4.54064 9.30964 7.88108 4.76698 3.60349 5.68717 numMergedOcc 0
38 mol 260 unq 1 iso 0 dist 5.33881 13.8952 9.46576 12.2712 7.28821 5.68717 numMergedOcc 0
39 mol 270 unq 0 iso 0 dist 7.96508 8.5694 8.76202 6.97639 6.72549 8.50042 numMergedOcc 0
