0 mol 1 unq 0 iso 0 dist 5.74199 8.69605 10.4572 9.78935 5.972 14.4278 6.2936 10.4951 5.19589 13.7976 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.26685 9.5937 5.4483 9.16861 5.91142 10.7882 9.78918 14.8435 14.6638 13.6968 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.26685 9.5937 5.4483 9.16861 5.91142 10.7882 6.80314 14.487 12.7368 14.9854 numMergedOcc 0
3 mol 17 unq 2 iso 0 dist 9.26685 7.34681 9.4204 9.16861 5.91142 9.91874 9.78918 14.8435 16.9932 13.6968 numMergedOcc 0
4 mol 17 unq 3 iso 0 dist 9.26685 7.34681 9.4204 9.16861 5.91142 9.91874 6.80314 14.487 13.5569 14.9854 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 8.36915 9.53081 13.2937 8.80334 10.7888 16.9756 6.42242 13.1229 5.84184 12.8187 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 6.01454 9.53081 5.41488 8.80334 13.7656 16.9756 6.42242 6.98858 5.84184 12.8187 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 8.61926 7.41847 4.56868 9.23947 11.3115 8.95689 6.90629 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 8.34427 9.52061 7.12885 7.65371 10.164 13.0969 7.32407 4.68204 7.72162 6.34791 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 8.34427 9.52061 7.12885 7.65371 10.164 13.0969 6.48695 9.09658 7.95267 6.62202 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 9.59989 6.85551 9.94274 8.4082 5.48376 10.9999 5.79029 9.33914 6.57529 6.84726 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 9.47945 6.19457 10.2353 7.13078 6.77761 3.96523 6.4751 15.864 9.13204 12.1204 numMergedOcc 0
12 mol 171 unq 1 iso 0 dist 9.47945 6.19457 10.2353 7.13078 6.77761 3.96523 5.75085 14.3848 6.62952 9.67838 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 5.00266 7.84277 4.51612 8.75712 11.317 10.8928 7.24924 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 5.00266 7.84277 8.8105 8.75712 11.317 4.03653 7.24924 numMergedOcc 0
15 mol 220 unq 2 iso 0 dist 7.20255 5.25149 9.96224 5.00266 5.83946 4.51612 8.75712 5.72178 10.8928 7.24924 numMergedOcc 0
16 mol 220 unq 3 iso 0 dist 7.20255 8.6368 8.70221 5.00266 5.83946 8.8105 8.75712 5.72178 4.03653 7.24924 numMergedOcc 0
17 mol 220 unq 4 iso 0 dist 7.57716 6.50756 8.34243 9.49722 12.5157 7.8513 8.32948 4.45003 11.1785 12.8255 numMergedOcc 0
18 mol 220 unq 5 iso 0 dist 8.98362 6.50756 5.82963 9.49722 5.34316 7.8513 8.32948 14.9758 11.1785 12.8255 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 7.20862 8.74399 12.3908 7.45381 6.05562 12.3027 5.3747 8.58832 7.20864 5.70052 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 9.51945 15.8519 9.75577 6.91534 15.1473 9.08479 9.56006 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 8.34832 8.48545 14.2079 9.51945 15.8519 9.75577 8.67704 16.5164 5.88166 6.62818 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 8.61786 8.8646 9.94141 5.45375 4.75686 8.73313 9.54381 5.4894 14.5123 6.99137 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 8.61786 8.8646 9.94141 9.9145 10.8282 13.3737 9.54381 5.4894 14.5123 11.2401 numMergedOcc 0
24 mol 266 unq 2 iso 0 dist 8.42706 8.8646 3.93133 5.45375 10.3992 8.73313 9.54381 15.3099 14.5123 6.99137 numMergedOcc 0
25 mol 266 unq 3 iso 0 dist 8.42706 8.8646 3.93133 9.9145 15.5784 13.3737 9.54381 15.3099 14.5123 11.2401 numMergedOcc 0
