0 mol 26 unq 0 iso 0 dist 9.04528 7.2612 5.04651 5.2549 11.384 8.44506 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 6.51779 6.40398 8.33153 10.9094 10.9898 8.7817 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 6.51779 6.40398 8.33153 11.8694 13.4953 7.55415 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 7.69013 9.46333 5.85014 5.45587 9.30722 7.57959 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 5.21015 5.36473 4.43177 9.04668 12.4345 9.7918 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 6.31955 5.93793 6.62221 8.07661 13.6369 8.97264 numMergedOcc 0
6 mol 124 unq 1 iso 0 dist 6.31955 5.93793 6.62221 8.29712 12.5031 8.80896 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.58727 8.37793 11.8704 13.2145 15.8406 6.76699 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 8.61597 8.37793 6.3168 13.2145 8.97762 6.76699 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.11189 5.8367 9.18584 11.9678 14.102 7.36779 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.11189 5.8367 9.18584 13.0109 17.0494 8.20836 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 5.82681 6.59729 4.89182 10.2733 11.2123 6.72641 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 7.76744 5.33789 12.1957 9.81415 17.082 9.18635 numMergedOcc 0
13 mol 198 unq 1 iso 0 dist 7.76744 5.33789 12.1957 5.21925 9.53527 8.10985 numMergedOcc 0
14 mol 209 unq 0 iso 0 dist 8.9906 6.43914 3.88024 5.35615 9.62543 8.41195 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 5.79015 8.84133 5.88269 12.0174 10.2501 5.45036 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 6.86637 8.81001 5.88269 9.89208 10.2501 5.45036 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 6.45266 9.33359 11.8546 12.8358 17.3855 8.50331 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 9.53114 8.74485 9.34922 6.80725 14.0521 8.67805 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 7.43425 5.67349 7.43942 4.63237 10.0402 5.26434 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 7.43425 5.67349 7.43942 6.39263 7.00833 8.60026 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 9.00901 5.78275 4.35814 9.13951 9.97601 7.91611 numMergedOcc 0
