0 mol 26 unq 0 iso 0 dist 7.2612 8.7716 9.97991 5.2549 8.44506 11.1182 numMergedOcc 0
1 mol 71 unq 0 iso 0 dist 9.62428 5.20914 9.90053 5.27838 7.77916 6.44499 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 9.74073 7.81617 9.67735 5.10538 7.32289 10.602 numMergedOcc 0
3 mol 124 unq 0 iso 0 dist 9.73469 10.8349 9.8727 5.39773 8.97264 5.58502 numMergedOcc 0
4 mol 124 unq 1 iso 0 dist 9.73469 10.8349 9.8727 9.93061 8.80896 4.7632 numMergedOcc 0
5 mol 124 unq 2 iso 0 dist 5.93793 11.3349 9.8727 8.07661 8.97264 5.58502 numMergedOcc 0
6 mol 124 unq 3 iso 0 dist 5.93793 11.3349 9.8727 8.29712 8.80896 4.7632 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.08064 5.56968 6.39075 8.14279 8.56003 5.90361 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 9.95454 10.1518 6.27462 6.5015 7.71426 11.7578 numMergedOcc 0
9 mol 171 unq 1 iso 0 dist 9.95454 10.1518 6.27462 6.1522 5.10618 5.45834 numMergedOcc 0
10 mol 171 unq 2 iso 0 dist 9.95454 10.1518 6.27462 16.1675 9.86681 11.9898 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.59729 4.95637 9.03496 10.2733 6.72641 11.4876 numMergedOcc 0
12 mol 209 unq 0 iso 0 dist 6.43914 11.0219 9.93982 5.35615 8.41195 9.80484 numMergedOcc 0
13 mol 209 unq 1 iso 0 dist 6.43914 13.8836 9.9518 5.35615 8.41195 11.2558 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 5.5826 12.8697 9.28463 11.1632 6.66971 4.99401 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 5.5826 12.8697 9.28463 11.0996 6.4398 5.07768 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 5.5826 12.8697 9.28463 5.18833 7.32982 9.99053 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 8.62351 4.43412 6.97105 6.79111 8.47784 7.59919 numMergedOcc 0
18 mol 252 unq 1 iso 0 dist 8.62351 4.43412 6.97105 14.2609 8.66469 10.251 numMergedOcc 0
19 mol 252 unq 2 iso 0 dist 6.94319 11.5831 6.97105 11.8815 8.47784 7.59919 numMergedOcc 0
20 mol 252 unq 3 iso 0 dist 6.94319 11.5831 6.97105 5.29359 8.66469 10.251 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 9.91954 14.1103 9.54836 15.213 7.52281 6.46871 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 9.91954 14.1103 9.54836 7.50444 6.42588 6.62911 numMergedOcc 0
