0 mol 6 unq 0 iso 0 dist 7.78618 6.98764 3.72752 7.88171 9.17484 5.55524 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 9.37413 8.5226 16.2504 6.94397 15.4268 7.44816 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 9.18487 8.5226 10.2416 6.94397 13.7946 7.44816 numMergedOcc 0
3 mol 27 unq 0 iso 0 dist 9.19658 9.10646 10.8529 4.91484 12.4741 8.8018 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 5.82918 6.64933 5.62882 4.0486 9.2603 9.54952 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 9.30724 9.64544 3.96397 9.43289 8.39016 9.78235 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 9.30724 9.64544 3.96397 3.97343 6.99355 8.92069 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 7.90328 8.57112 4.07616 5.89399 4.76815 6.84197 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 9.29817 4.78944 9.40378 3.94206 13.2255 6.60331 numMergedOcc 0
9 mol 110 unq 1 iso 0 dist 9.29817 4.78944 9.40378 7.58348 13.2338 9.22311 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 5.44714 7.3324 3.85992 5.19652 6.81812 5.82487 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 9.9492 8.58421 6.45748 9.79072 7.31468 9.3169 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 9.9492 8.58421 6.45748 5.80488 7.7056 5.5639 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 9.19849 6.00793 4.34476 9.57777 10.5089 6.85239 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 9.19849 6.00793 4.34476 8.66436 8.62646 5.72735 numMergedOcc 0
15 mol 185 unq 0 iso 0 dist 8.60027 6.70069 5.5418 4.53126 11.1239 8.78799 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.08641 9.33272 8.25316 14.7094 17.7634 9.83935 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 9.91294 6.38964 5.27054 5.70669 11.9754 7.03546 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 9.91294 6.38964 5.27054 10.3584 14.6844 9.62822 numMergedOcc 0
19 mol 219 unq 0 iso 0 dist 7.1158 8.15287 9.7667 5.0241 4.87541 7.68645 numMergedOcc 0
20 mol 219 unq 1 iso 0 dist 7.1158 8.15287 9.7667 4.36122 10.105 5.75017 numMergedOcc 0
21 mol 219 unq 2 iso 0 dist 7.1158 8.15287 9.7667 14.0703 15.5122 6.12768 numMergedOcc 0
22 mol 219 unq 3 iso 0 dist 7.1158 8.15287 9.7667 13.25 14.1528 7.19159 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 6.9453 7.39089 11.6161 14.0386 18.3789 9.57009 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 9.20119 6.96758 10.9494 12.271 19.3567 8.76788 numMergedOcc 0
