0 mol 55 unq 0 iso 0 dist 5.24742 9.57876 8.0329 15.4684 12.2554 9.2881 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 9.29433 15.5369 8.0329 21.3969 12.2554 9.2881 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.52643 11.5903 7.7933 7.8986 7.05519 9.14856 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 5.41357 6.10515 7.7933 7.24183 7.05519 9.14856 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.90896 13.1044 6.96647 15.5908 10.8619 6.4154 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.45777 7.17416 8.49022 10.0291 4.63063 9.67601 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 9.06641 4.46847 8.95044 6.6146 5.12529 9.05357 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 5.79195 7.50288 8.03691 14.2037 10.8516 8.49888 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.2759 8.01541 8.03691 5.12189 10.8516 8.49888 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 8.76088 5.31306 8.03691 9.428 10.8516 8.49888 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 5.32865 10.7118 9.80032 13.0859 9.20914 6.96704 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 7.2833 6.76675 7.87044 10.5568 9.10689 8.55725 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 7.03925 11.3098 7.26162 10.9949 4.52111 8.77324 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 6.23677 4.10214 7.49889 11.9987 11.5364 8.7868 numMergedOcc 0
14 mol 224 unq 2 iso 0 dist 6.23677 4.10214 7.49889 7.58998 6.88745 4.64336 numMergedOcc 0
15 mol 224 unq 3 iso 0 dist 6.23677 6.78713 9.89345 12.0605 9.9943 8.60781 numMergedOcc 0
16 mol 224 unq 4 iso 0 dist 9.04741 8.4959 7.49889 16.9768 11.5364 8.7868 numMergedOcc 0
17 mol 224 unq 5 iso 0 dist 9.04741 8.4959 7.49889 11.537 6.88745 4.64336 numMergedOcc 0
18 mol 224 unq 6 iso 0 dist 9.04741 10.2748 9.89345 15.9323 9.9943 8.60781 numMergedOcc 0
19 mol 224 unq 7 iso 0 dist 7.31608 9.93861 7.49889 16.8876 11.5364 8.7868 numMergedOcc 0
20 mol 224 unq 8 iso 0 dist 7.31608 9.93861 7.49889 12.3857 6.88745 4.64336 numMergedOcc 0
21 mol 224 unq 9 iso 0 dist 7.31608 7.09867 9.89345 11.2964 9.9943 8.60781 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 6.57444 5.53503 9.35019 6.58277 5.91091 6.36049 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 9.39714 11.3259 9.35019 8.12204 5.91091 6.36049 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 9.98886 10.1569 5.98155 8.61456 4.68809 9.79549 numMergedOcc 0
25 mol 282 unq 1 iso 0 dist 9.98886 10.1569 5.98155 15.5179 10.8006 9.69725 numMergedOcc 0
26 mol 282 unq 2 iso 0 dist 6.81887 4.54514 5.98155 8.41041 4.68809 9.79549 numMergedOcc 0
27 mol 282 unq 3 iso 0 dist 6.81887 4.54514 5.98155 12.4907 10.8006 9.69725 numMergedOcc 0
