0 mol 2 unq 0 iso 0 dist 7.99162 6.38677 9.58976 14.3229 12.4493 9.9859 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 7.99162 5.59831 6.35342 14.3229 12.4493 9.57674 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 5.50504 5.25196 9.62468 13.4223 15.5028 9.32664 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.96446 14.2688 7.86724 11.0503 9.52327 8.66742 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 7.5055 7.43569 9.4473 8.91143 5.81428 5.80404 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 9.74465 12.774 6.00053 16.4931 7.16549 5.67112 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 9.52413 4.62432 7.66381 8.76308 8.14815 9.53805 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 8.57514 8.21257 8.43584 10.5797 11.6232 6.05667 numMergedOcc 0
8 mol 205 unq 1 iso 0 dist 6.11505 5.03046 8.43584 6.79634 11.6232 6.05667 numMergedOcc 0
9 mol 206 unq 0 iso 0 dist 5.82039 8.09615 9.72979 13.2258 11.7977 6.69623 numMergedOcc 0
10 mol 206 unq 1 iso 0 dist 6.22964 8.09615 6.97859 13.2258 10.4747 6.69623 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 23.4398 18.0887 8.87054 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 9.66521 5.34424 9.18675 13.5511 10.8138 8.61546 numMergedOcc 0
13 mol 227 unq 1 iso 0 dist 9.66521 5.34424 9.18675 9.45021 9.98177 7.17024 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 9.38793 12.7183 6.60309 15.9972 6.61689 7.88479 numMergedOcc 0
15 mol 277 unq 1 iso 0 dist 7.151 13.1772 9.98528 16.95 12.6688 9.55366 numMergedOcc 0
16 mol 277 unq 2 iso 0 dist 8.53324 7.09461 9.02914 6.71956 4.37645 5.92532 numMergedOcc 0
17 mol 277 unq 3 iso 0 dist 7.23956 7.09461 6.90434 6.71956 7.70529 5.92532 numMergedOcc 0
18 mol 277 unq 4 iso 0 dist 8.33977 17.7336 9.98528 20.0817 12.6688 9.55366 numMergedOcc 0
19 mol 277 unq 5 iso 0 dist 8.66941 16.013 9.02914 11.2339 4.37645 5.92532 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 9.91518 5.49004 9.82774 6.9592 14.3412 8.20933 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 9.82717 14.401 8.71213 16.6011 10.4903 8.7964 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 9.82717 14.401 8.71213 14.1814 11.2696 7.24072 numMergedOcc 0
23 mol 285 unq 2 iso 0 dist 8.33653 8.64319 8.71213 8.51221 10.4903 8.7964 numMergedOcc 0
24 mol 285 unq 3 iso 0 dist 8.33653 8.64319 8.71213 12.219 11.2696 7.24072 numMergedOcc 0
25 mol 285 unq 4 iso 0 dist 6.44657 14.1417 8.71213 13.7177 10.4903 8.7964 numMergedOcc 0
26 mol 285 unq 5 iso 0 dist 6.44657 14.1417 8.71213 16.5618 11.2696 7.24072 numMergedOcc 0
