0 mol 13 unq 0 iso 0 dist 7.39086 9.45635 4.0489 6.95614 10.0353 9.21911 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 7.69401 9.90751 13.8686 6.12107 13.3778 7.81446 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 7.69401 9.21662 15.1364 6.12107 13.3778 6.55173 numMergedOcc 0
3 mol 100 unq 2 iso 0 dist 7.69401 9.21662 15.1364 5.42531 12.8962 6.59691 numMergedOcc 0
4 mol 100 unq 3 iso 0 dist 6.92671 9.90751 3.50258 6.12107 6.97739 7.81446 numMergedOcc 0
5 mol 100 unq 4 iso 0 dist 6.92671 9.21662 6.13237 6.12107 6.97739 6.55173 numMergedOcc 0
6 mol 100 unq 5 iso 0 dist 6.92671 9.21662 6.13237 5.42531 8.4705 6.59691 numMergedOcc 0
7 mol 167 unq 0 iso 0 dist 6.85239 6.84752 5.75062 4.64019 10.8988 8.86449 numMergedOcc 0
8 mol 167 unq 1 iso 0 dist 5.72735 7.02548 5.75062 7.08726 10.8988 8.86449 numMergedOcc 0
9 mol 170 unq 0 iso 0 dist 6.01758 9.08274 9.2385 9.275 9.85825 6.47164 numMergedOcc 0
10 mol 170 unq 1 iso 0 dist 6.01758 9.08274 9.2385 12.5696 15.287 9.65126 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.16817 8.73533 12.7415 7.30024 16.273 9.45907 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 8.32738 9.31526 6.14929 9.73871 10.3265 8.63279 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 5.62219 8.63693 3.61565 7.67559 6.6588 9.68477 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 7.80754 8.08349 9.06907 10.7174 13.8704 5.05368 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 8.20295 8.08349 13.4882 10.7174 17.7012 5.05368 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 7.48298 7.15764 9.49612 6.35641 7.89384 8.09509 numMergedOcc 0
17 mol 252 unq 1 iso 0 dist 8.9483 7.15764 10.6529 6.35641 11.581 8.09509 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 6.64082 8.9682 14.6245 7.70529 9.04531 9.26157 numMergedOcc 0
