0 mol 10 unq 0 iso 0 dist 9.1125 9.6309 7.54307 13.2906 12.7931 8.3613 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.1125 9.23414 4.37568 13.2906 12.7931 9.33141 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 7.9504 6.09533 5.816 6.47139 13.5046 9.1397 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.61357 4.90216 9.95453 10.9658 14.8588 8.30217 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 9.83596 6.01857 6.41211 11.1675 12.7373 7.42146 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 9.3586 9.48934 15.393 6.4437 15.756 9.3273 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 9.21476 8.76449 9.03848 6.91778 13.1465 6.73617 numMergedOcc 0
7 mol 147 unq 1 iso 0 dist 9.21476 8.36182 5.58015 6.91778 13.1465 9.03544 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 8.37231 9.067 5.29862 6.46702 10.8794 7.93088 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 8.66172 9.37245 16.5748 4.12904 10.4941 8.16252 numMergedOcc 0
10 mol 163 unq 1 iso 0 dist 6.89529 9.37245 4.09125 4.12904 6.56115 8.16252 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.65404 8.95296 8.2701 6.32863 7.83781 5.36671 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 9.15795 7.16035 7.09962 10.0008 10.2335 9.96536 numMergedOcc 0
13 mol 183 unq 1 iso 0 dist 8.72128 9.61725 7.09962 9.95614 10.2335 9.96536 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 5.33103 9.25184 10.061 3.84723 6.53736 6.85824 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 9.01301 9.25184 5.11839 3.84723 8.18851 6.85824 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 9.17911 6.61322 13.3447 9.07364 9.67877 8.03012 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 6.70414 5.11998 5.11865 14.2115 9.84188 9.54359 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 6.70414 5.11998 5.11865 10.8075 8.35794 5.69112 numMergedOcc 0
19 mol 277 unq 2 iso 0 dist 6.70414 5.79925 8.46455 10.8075 8.35794 7.2091 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 6.90956 9.1471 6.33641 5.25853 7.30618 9.18744 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 6.90956 7.84189 12.0298 7.19628 13.4482 5.30118 numMergedOcc 0
22 mol 287 unq 2 iso 0 dist 6.90956 7.84189 12.0298 11.7959 18.2482 8.98698 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 6.90956 9.1471 6.33641 5.25853 7.30618 9.18744 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 6.90956 7.84189 12.0298 7.19628 13.4482 5.30118 numMergedOcc 0
25 mol 288 unq 2 iso 0 dist 6.90956 7.84189 12.0298 11.7959 18.2482 8.98698 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 6.90956 9.1471 6.33641 5.25853 7.30618 9.18744 numMergedOcc 0
27 mol 289 unq 1 iso 0 dist 6.90956 7.84189 12.0298 7.19628 13.4482 5.30118 numMergedOcc 0
28 mol 289 unq 2 iso 0 dist 6.90956 7.84189 12.0298 11.7959 18.2482 8.98698 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 8.55037 7.48987 13.8815 5.57606 10.8195 7.56669 numMergedOcc 0
30 mol 294 unq 1 iso 0 dist 5.71656 7.48987 5.13965 5.57606 8.52208 7.56669 numMergedOcc 0
