0 mol 8 unq 0 iso 0 dist 9.86938 11.4765 8.94096 18.2573 14.5611 7.12263 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.86938 11.4765 8.94096 12.9683 6.69972 5.00267 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.16743 12.3138 9.07858 14.2233 12.9762 7.12263 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.16743 12.3138 9.07858 12.6436 6.3125 5.00267 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.77049 5.3866 9.82483 10.298 10.4204 5.55437 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 6.95341 6.49896 9.82483 9.93613 10.4204 5.55437 numMergedOcc 0
6 mol 13 unq 0 iso 0 dist 9.37413 10.8881 8.00865 14.604 7.65383 9.10587 numMergedOcc 0
7 mol 13 unq 1 iso 0 dist 9.18487 10.8881 9.11447 14.604 8.58799 9.10587 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.16721 12.4094 7.30343 14.1336 5.75015 6.86146 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 9.30724 13.8613 7.54496 17.9352 10.2107 7.51138 numMergedOcc 0
10 mol 90 unq 2 iso 0 dist 9.30724 13.8613 7.54496 19.95 10.6903 9.86843 numMergedOcc 0
11 mol 90 unq 3 iso 0 dist 9.30724 13.8613 7.54496 19.3303 10.968 6.86146 numMergedOcc 0
12 mol 90 unq 4 iso 0 dist 9.30724 13.8613 7.54496 13.3141 5.69605 8.83296 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.95838 5.47002 5.85818 12.1811 8.96522 8.03035 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 9.47892 13.8865 5.85818 18.265 8.96522 8.03035 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 8.46844 6.14702 6.28417 15.6278 13.5582 9.71408 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 8.70104 3.64474 8.21476 5.80513 9.79955 7.3546 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.08641 7.41978 9.59034 12.647 8.37278 7.23293 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 8.27907 5.77167 6.86795 5.72444 6.08698 8.93185 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 8.27907 7.54799 6.23898 5.72444 6.08698 8.22792 numMergedOcc 0
20 mol 218 unq 2 iso 0 dist 7.90156 12.2629 6.61099 20.7986 13.6339 8.93185 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.46582 12.2456 7.61203 13.3717 10.6355 9.89583 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 9.77231 12.2456 9.47845 13.3717 6.48619 9.89583 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 7.96197 9.92633 9.42618 19.4639 18.0054 9.89583 numMergedOcc 0
