0 mol 59 unq 0 iso 0 dist 4.74574 4.80894 6.23509 6.48339 4.74563 7.17026 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 6.82511 5.37144 8.19932 10.8841 13.0221 8.05514 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 6.29801 6.06978 9.21761 7.10351 5.48763 5.70907 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 8.39378 10.2073 9.21761 10.893 5.48763 5.70907 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 9.75749 6.36916 5.35861 6.07392 6.74231 7.26995 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 6.66313 4.85157 4.55071 14.4475 10.7475 9.6121 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 6.3646 5.74561 4.55071 13.2368 10.7475 9.6121 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 6.91039 9.37902 6.60366 9.41488 5.42311 8.68663 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 6.80203 4.91613 9.68512 11.6226 11.6193 8.999 numMergedOcc 0
9 mol 171 unq 1 iso 0 dist 8.00826 4.61696 9.68512 5.94881 11.6193 8.999 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.19926 14.4294 8.92135 17.1697 9.28201 8.57801 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 8.89804 14.2573 9.34653 16.9042 9.09659 8.31881 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 9.3032 10.739 4.45769 8.26119 7.82899 5.53324 numMergedOcc 0
13 mol 194 unq 1 iso 0 dist 8.10451 5.22745 4.45769 9.10338 7.82899 5.53324 numMergedOcc 0
14 mol 194 unq 2 iso 0 dist 6.6747 5.22745 5.89939 9.10338 10.0237 5.53324 numMergedOcc 0
15 mol 194 unq 3 iso 0 dist 6.28412 12.1687 5.89939 15.9115 10.0237 5.53324 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 9.02494 6.38826 8.74463 9.34695 8.38864 9.57955 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 9.02494 6.38826 8.74463 15.6149 13.9338 9.87668 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 4.15692 8.3996 9.81261 17.0584 19.1465 9.39658 numMergedOcc 0
19 mol 252 unq 1 iso 0 dist 4.15692 8.3996 9.81261 14.1515 14.8966 5.9974 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 8.26228 4.66338 9.87744 8.43465 8.89888 6.02757 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 8.71708 4.13716 7.56691 10.8109 5.78276 7.59696 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 9.98334 8.66839 4.98693 12.2565 7.93548 5.8304 numMergedOcc 0
