0 mol 24 unq 0 iso 0 dist 9.97806 6.32779 6.31025 7.63824 7.33787 5.43498 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.32779 9.97806 6.31025 7.63824 5.43498 7.33787 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.94728 9.33902 13.6738 5.11382 3.94196 13.466 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 9.33902 6.94728 13.6738 5.11382 13.466 3.94196 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.19721 6.84323 4.97926 6.51901 3.70802 3.66673 numMergedOcc 0
5 mol 62 unq 0 iso 1 dist 6.84323 8.19721 4.97926 6.51901 3.66673 3.70802 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 6.84323 7.24768 6.8519 6.58981 4.29679 8.07308 numMergedOcc 0
7 mol 62 unq 1 iso 1 dist 7.24768 6.84323 6.8519 6.58981 8.07308 4.29679 numMergedOcc 0
8 mol 62 unq 2 iso 0 dist 6.84323 8.51622 6.82762 6.58981 4.29679 10.3525 numMergedOcc 0
9 mol 62 unq 2 iso 1 dist 8.51622 6.84323 6.82762 6.58981 10.3525 4.29679 numMergedOcc 0
10 mol 62 unq 2 iso 0 dist 7.24768 8.51622 5.74934 6.58981 8.07308 10.3525 numMergedOcc 0
11 mol 62 unq 2 iso 1 dist 8.51622 7.24768 5.74934 6.58981 10.3525 8.07308 numMergedOcc 0
12 mol 81 unq 0 iso 0 dist 7.91009 4.39121 7.16417 4.95504 3.3881 3.93741 numMergedOcc 0
13 mol 81 unq 0 iso 1 dist 4.39121 7.91009 7.16417 4.95504 3.93741 3.3881 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 9.93577 8.6767 7.13617 8.17454 10.526 4.66066 numMergedOcc 0
15 mol 90 unq 0 iso 1 dist 8.6767 9.93577 7.13617 8.17454 4.66066 10.526 numMergedOcc 0
16 mol 91 unq 0 iso 0 dist 8.42914 8.17327 4.12972 7.09177 6.21311 7.17072 numMergedOcc 0
17 mol 91 unq 0 iso 1 dist 8.17327 8.42914 4.12972 7.09177 7.17072 6.21311 numMergedOcc 0
18 mol 91 unq 1 iso 0 dist 8.42914 9.52936 4.59251 7.09177 6.21311 10.0233 numMergedOcc 0
19 mol 91 unq 1 iso 1 dist 9.52936 8.42914 4.59251 7.09177 10.0233 6.21311 numMergedOcc 0
20 mol 91 unq 1 iso 0 dist 8.17327 9.52936 4.14485 7.09177 7.17072 10.0233 numMergedOcc 0
21 mol 91 unq 1 iso 1 dist 9.52936 8.17327 4.14485 7.09177 10.0233 7.17072 numMergedOcc 0
22 mol 116 unq 0 iso 0 dist 8.56629 7.56091 5.74499 7.65919 4.31929 3.39035 numMergedOcc 0
23 mol 116 unq 0 iso 1 dist 7.56091 8.56629 5.74499 7.65919 3.39035 4.31929 numMergedOcc 0
24 mol 116 unq 1 iso 0 dist 8.56629 7.56091 5.74499 8.55413 11.987 6.88393 numMergedOcc 0
25 mol 116 unq 1 iso 1 dist 7.56091 8.56629 5.74499 8.55413 6.88393 11.987 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 9.1717 8.8319 6.68571 5.86693 6.8842 5.05002 numMergedOcc 0
27 mol 141 unq 0 iso 1 dist 8.8319 9.1717 6.68571 5.86693 5.05002 6.8842 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 6.28379 9.29279 7.10921 6.45095 5.74821 11.8995 numMergedOcc 0
29 mol 233 unq 0 iso 1 dist 9.29279 6.28379 7.10921 6.45095 11.8995 5.74821 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 9.64578 7.02833 11.4732 7.45508 9.1722 11.2097 numMergedOcc 0
31 mol 239 unq 0 iso 1 dist 7.02833 9.64578 11.4732 7.45508 11.2097 9.1722 numMergedOcc 0
32 mol 239 unq 1 iso 0 dist 9.64578 7.02833 11.4732 5.79883 11.457 6.10489 numMergedOcc 0
33 mol 239 unq 1 iso 1 dist 7.02833 9.64578 11.4732 5.79883 6.10489 11.457 numMergedOcc 0
34 mol 278 unq 0 iso 0 dist 7.81282 6.08019 4.3837 7.73107 7.14333 5.40345 numMergedOcc 0
35 mol 278 unq 0 iso 1 dist 6.08019 7.81282 4.3837 7.73107 5.40345 7.14333 numMergedOcc 0
