0 mol 1 unq 0 iso 0 dist 8.69605 9.78935 14.4278 6.2936 5.19589 13.7976 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.5937 9.16861 10.7882 9.78918 14.6638 13.6968 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.5937 9.16861 10.7882 6.80314 12.7368 14.9854 numMergedOcc 0
3 mol 17 unq 2 iso 0 dist 7.34681 9.16861 9.91874 9.78918 16.9932 13.6968 numMergedOcc 0
4 mol 17 unq 3 iso 0 dist 7.34681 9.16861 9.91874 6.80314 13.5569 14.9854 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.53081 8.80334 16.9756 6.42242 5.84184 12.8187 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 5.66803 8.61926 4.56868 9.23947 8.95689 6.90629 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.15664 6.00131 6.85223 8.96747 4.92054 10.2475 numMergedOcc 0
8 mol 101 unq 0 iso 0 dist 7.1859 7.43143 4.09052 7.73086 4.93063 7.83985 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 7.93793 5.45159 8.53498 9.00087 4.54592 6.91576 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 9.52061 7.65371 13.0969 7.32407 7.72162 6.34791 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 9.52061 7.65371 13.0969 6.48695 7.95267 6.62202 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 9.38856 8.37022 11.9024 8.07946 9.75659 6.05893 numMergedOcc 0
13 mol 165 unq 0 iso 0 dist 6.85551 8.4082 10.9999 5.79029 6.57529 6.84726 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 8.72323 9.16691 5.9767 6.33621 11.2255 12.1699 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 6.19457 7.13078 3.96523 6.4751 9.13204 12.1204 numMergedOcc 0
16 mol 171 unq 1 iso 0 dist 6.19457 7.13078 3.96523 5.75085 6.62952 9.67838 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 7.2833 9.71653 6.80353 9.25935 8.71774 9.58076 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 6.20044 9.01377 13.2711 9.23676 4.92804 14.3965 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 8.41232 9.01377 10.5475 9.23676 5.04697 14.3965 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 5.25149 5.00266 4.51612 8.75712 10.8928 7.24924 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 8.6368 5.00266 8.8105 8.75712 4.03653 7.24924 numMergedOcc 0
22 mol 220 unq 2 iso 0 dist 6.50756 9.49722 7.8513 8.32948 11.1785 12.8255 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 8.74399 7.45381 12.3027 5.3747 7.20864 5.70052 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 8.48545 9.51945 9.75577 6.91534 9.08479 9.56006 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 8.48545 9.51945 9.75577 8.67704 5.88166 6.62818 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 8.8646 5.45375 8.73313 9.54381 14.5123 6.99137 numMergedOcc 0
27 mol 266 unq 1 iso 0 dist 8.8646 9.9145 13.3737 9.54381 14.5123 11.2401 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 5.78262 6.59786 8.67797 9.57659 12.1916 7.87765 numMergedOcc 0
29 mol 273 unq 1 iso 0 dist 5.78262 6.59786 8.67797 7.8424 7.70478 6.45094 numMergedOcc 0
30 mol 273 unq 2 iso 0 dist 5.78262 7.96519 13.2599 9.57659 12.1916 8.14134 numMergedOcc 0
31 mol 273 unq 3 iso 0 dist 5.78262 7.96519 13.2599 7.8424 7.70478 10.826 numMergedOcc 0
32 mol 273 unq 4 iso 0 dist 7.6489 6.59786 9.47855 9.57659 5.91118 7.87765 numMergedOcc 0
33 mol 273 unq 5 iso 0 dist 7.6489 6.59786 9.47855 7.8424 4.59769 6.45094 numMergedOcc 0
34 mol 273 unq 6 iso 0 dist 7.6489 7.96519 10.9195 9.57659 5.91118 8.14134 numMergedOcc 0
35 mol 273 unq 7 iso 0 dist 7.6489 7.96519 10.9195 7.8424 4.59769 10.826 numMergedOcc 0
36 mol 285 unq 0 iso 0 dist 7.872 7.61398 9.51445 6.46935 9.75573 7.54191 numMergedOcc 0
37 mol 285 unq 1 iso 0 dist 6.32984 7.61398 11.5961 6.46935 5.78887 7.54191 numMergedOcc 0
