0 mol 24 unq 0 iso 0 dist 8.15652 8.23069 4.93188 8.56483 9.75636 8.70827 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.15652 8.23069 4.93188 13.3777 10.0715 6.73939 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.15652 8.59466 9.24958 8.56483 9.75636 9.12854 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.44893 9.67461 4.93188 16.1592 9.75636 8.70827 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.44893 9.67461 4.93188 10.9795 10.0715 6.73939 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.44893 14.0586 9.24958 16.1592 9.75636 9.12854 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.8533 11.9181 8.6385 8.69142 5.30297 7.36856 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 6.87744 10.4441 8.6385 8.43523 5.30297 7.36856 numMergedOcc 0
8 mol 65 unq 0 iso 0 dist 4.76226 4.8507 5.69971 10.0483 6.00418 7.90294 numMergedOcc 0
9 mol 65 unq 1 iso 0 dist 4.76226 10.2999 8.37515 11.5113 7.18126 6.76508 numMergedOcc 0
10 mol 65 unq 2 iso 0 dist 4.76226 10.2999 8.37515 10.0483 6.00418 8.22785 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 9.17137 12.602 5.88354 12.8391 8.53212 5.59328 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 9.17137 5.37332 5.74854 12.8391 8.53212 7.5242 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.37793 13.2145 6.76699 12.0146 9.34112 6.16242 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 9.95454 6.5015 7.71426 11.0752 6.29877 5.93786 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 9.95454 6.5015 7.71426 11.1125 5.90358 8.1344 numMergedOcc 0
16 mol 171 unq 2 iso 0 dist 9.95454 6.1522 5.10618 11.0752 6.29877 8.24693 numMergedOcc 0
17 mol 171 unq 3 iso 0 dist 9.95454 6.1522 5.10618 11.1125 5.90358 6.71356 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.59729 10.2733 6.72641 8.34668 6.71237 7.76163 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 8.22643 4.98231 6.60567 11.3628 6.0634 7.36683 numMergedOcc 0
20 mol 195 unq 1 iso 0 dist 8.22643 4.98231 6.60567 5.0778 6.74112 6.95086 numMergedOcc 0
21 mol 195 unq 2 iso 0 dist 8.22643 13.577 7.62942 11.3628 6.0634 9.26504 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 5.33789 5.21925 8.10985 6.73371 9.86517 6.34616 numMergedOcc 0
23 mol 198 unq 1 iso 0 dist 7.27215 10.854 8.10985 13.2061 9.86517 6.34616 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 9.88251 13.9684 5.60393 17.3323 8.46033 5.44002 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 5.5826 11.1632 6.66971 6.97527 4.77308 7.57812 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 5.5826 11.1632 6.66971 12.3648 10.2777 8.69104 numMergedOcc 0
27 mol 238 unq 2 iso 0 dist 5.5826 5.18833 7.32982 6.97527 4.77308 9.24557 numMergedOcc 0
28 mol 240 unq 0 iso 0 dist 5.46783 14.5429 9.47583 20.0621 15.5587 6.68687 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 9.03362 12.6489 7.67245 17.0591 13.537 6.62841 numMergedOcc 0
