0 mol 1 unq 0 iso 0 dist 8.70365 7.68779 8.37144 6.41817 9.14815 11.8728 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.33719 7.68779 7.29854 6.41817 10.4951 11.8728 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.37509 8.76702 5.7343 9.69819 6.81909 6.22971 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 8.37509 6.27477 11.3728 9.69819 6.81909 10.3253 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 5.58467 9.15677 7.42841 9.53735 13.2487 10.797 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 4.52881 7.16036 6.07691 9.52676 6.30672 4.55437 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 7.06922 9.31319 6.3156 6.19084 9.23733 10.5906 numMergedOcc 0
7 mol 46 unq 1 iso 0 dist 7.06922 8.2513 5.37608 6.19084 9.23733 12.8683 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 8.46207 8.60577 10.2349 5.39827 13.3186 9.23414 numMergedOcc 0
9 mol 66 unq 0 iso 0 dist 7.48714 8.04639 12.1542 5.75397 6.28783 5.99928 numMergedOcc 0
10 mol 66 unq 1 iso 0 dist 7.48714 8.04639 12.1542 9.11975 10.2684 4.38694 numMergedOcc 0
11 mol 66 unq 2 iso 0 dist 7.48714 7.69019 6.66235 5.75397 6.28783 5.61937 numMergedOcc 0
12 mol 66 unq 3 iso 0 dist 7.48714 7.69019 6.66235 9.11975 10.2684 7.22146 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 6.13194 5.94478 7.24773 9.61913 14.3605 9.91049 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 6.30762 9.64856 5.29246 8.74658 6.14427 6.26504 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 6.30762 6.38977 8.25445 8.74658 6.14427 7.7567 numMergedOcc 0
16 mol 131 unq 2 iso 0 dist 6.30762 9.69757 11.8349 8.74658 6.14427 8.23791 numMergedOcc 0
17 mol 148 unq 0 iso 0 dist 6.81055 9.7168 12.052 9.92375 8.10745 11.2659 numMergedOcc 0
18 mol 148 unq 1 iso 0 dist 6.81055 7.38138 5.2593 9.92375 8.10745 4.99768 numMergedOcc 0
19 mol 153 unq 0 iso 0 dist 7.53192 9.79001 7.16014 6.36853 10.6982 7.94182 numMergedOcc 0
20 mol 153 unq 1 iso 0 dist 7.53192 9.79001 7.16014 5.87327 6.83491 6.65991 numMergedOcc 0
21 mol 182 unq 0 iso 0 dist 8.54162 7.8621 5.40949 8.04856 10.0929 9.81003 numMergedOcc 0
22 mol 189 unq 0 iso 0 dist 9.22035 9.58744 9.97708 7.45329 9.72876 10.1941 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 8.9569 7.26647 15.1428 5.83338 10.2551 7.86966 numMergedOcc 0
24 mol 261 unq 1 iso 0 dist 8.9569 7.7309 15.7709 5.83338 10.2551 6.65675 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 8.52874 9.54236 8.64742 9.1926 7.3278 4.61517 numMergedOcc 0
26 mol 272 unq 1 iso 0 dist 8.52874 9.54236 8.64742 9.17894 13.4433 8.52496 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 9.40138 7.70229 4.58403 5.94224 10.8394 8.2662 numMergedOcc 0
28 mol 282 unq 1 iso 0 dist 9.40138 7.90792 5.04235 5.94224 10.8394 6.6348 numMergedOcc 0
29 mol 282 unq 2 iso 0 dist 8.37963 7.70229 14.9812 5.94224 10.1355 8.2662 numMergedOcc 0
30 mol 282 unq 3 iso 0 dist 8.37963 7.90792 15.4482 5.94224 10.1355 6.6348 numMergedOcc 0
31 mol 293 unq 0 iso 0 dist 9.50932 8.90008 5.13597 8.60282 4.75112 5.46037 numMergedOcc 0
