0 mol 15 unq 0 iso 0 dist 4.89563 4.98085 5.89412 7.38118 8.4014 5.69755 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.55169 11.1103 9.78331 10.9885 8.70792 6.43075 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.88829 10.1739 7.99969 3.24351 8.91596 10.8132 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 8.52979 14.261 6.31696 10.7036 6.22221 5.88357 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.28058 4.58554 6.02816 10.273 8.62079 12.0718 numMergedOcc 0
5 mol 102 unq 0 iso 0 dist 5.79411 4.26679 8.31932 6.52658 5.54256 7.28191 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 6.97244 6.85703 7.70232 11.3762 7.78789 6.05048 numMergedOcc 0
7 mol 117 unq 1 iso 0 dist 6.97244 6.85703 7.70232 10.2106 7.42146 10.5934 numMergedOcc 0
8 mol 117 unq 2 iso 0 dist 6.97244 9.39186 7.4671 11.3762 7.78789 4.42665 numMergedOcc 0
9 mol 117 unq 3 iso 0 dist 6.97244 9.39186 7.4671 10.2106 7.42146 11.9806 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 6.44766 12.0238 8.70296 9.62739 8.80895 5.92118 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 6.44766 6.81696 9.25558 9.62739 8.80895 10.2176 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 8.81925 6.11074 7.67576 4.73685 5.1609 3.98604 numMergedOcc 0
13 mol 222 unq 1 iso 0 dist 8.81925 6.22277 9.82371 4.73685 5.1609 7.99695 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 6.94983 4.03628 9.05071 8.26136 8.25985 12.159 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 6.94983 4.03628 9.05071 4.7723 9.27788 8.36223 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.73858 4.91532 8.84636 5.61065 4.43499 5.76503 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 6.23184 10.5063 6.62841 6.96416 5.35705 10.5492 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 6.87804 13.9059 7.07965 11.4406 6.69619 8.31265 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 6.87804 13.9059 7.07965 10.8521 4.49592 5.06937 numMergedOcc 0
20 mol 292 unq 2 iso 0 dist 8.54692 8.07129 8.87028 9.43281 9.96374 8.33171 numMergedOcc 0
21 mol 292 unq 3 iso 0 dist 8.54692 8.07129 8.87028 5.01465 5.41432 4.36814 numMergedOcc 0
22 mol 292 unq 4 iso 0 dist 6.07571 4.59906 7.07965 7.86088 6.69619 8.31265 numMergedOcc 0
23 mol 292 unq 5 iso 0 dist 6.07571 4.59906 7.07965 4.34603 4.49592 5.06937 numMergedOcc 0
