0 mol 18 unq 0 iso 0 dist 8.95648 4.66195 4.76781 6.21002 11.1731 8.02753 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 5.55479 7.07773 6.48477 4.30086 9.59696 9.99939 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 9.55519 7.90158 7.69482 4.96139 13.0779 8.41542 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 6.90069 6.50622 4.76861 5.58109 12.0052 9.85512 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 6.90069 4.45433 4.315 5.58109 12.0052 8.97888 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 9.05604 7.68838 9.79375 11.619 11.3525 7.44558 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 5.58623 7.68838 3.54756 11.619 9.65809 7.44558 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 8.54233 8.16392 9.7683 11.8473 10.7232 7.42146 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 5.21801 7.667 3.5168 7.26802 6.02086 8.92592 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 9.07247 7.72354 9.71065 7.25468 5.96423 9.84566 numMergedOcc 0
10 mol 231 unq 0 iso 0 dist 9.37406 6.8533 5.63585 10.613 12.8638 7.3268 numMergedOcc 0
11 mol 231 unq 1 iso 0 dist 8.98908 6.8533 11.9434 10.613 18.1166 7.3268 numMergedOcc 0
12 mol 231 unq 2 iso 0 dist 9.33363 8.8788 3.1231 6.39215 11.8915 9.9868 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 5.8804 5.57978 6.41309 9.65708 10.8595 6.76495 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 5.8804 5.57978 6.41309 10.4505 9.17612 5.4557 numMergedOcc 0
