0 mol 19 unq 0 iso 0 dist 7.14945 6.26585 6.50337 6.73409 7.42956 11.3811 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 6.50337 6.26585 7.14945 11.3811 7.42956 6.73409 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.80127 14.6259 6.48457 4.33963 4.87192 11.2106 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 6.48457 14.6259 8.80127 11.2106 4.87192 4.33963 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.11686 5.87347 9.43467 7.81701 5.06241 8.5929 numMergedOcc 0
5 mol 54 unq 0 iso 1 dist 9.43467 5.87347 7.11686 8.5929 5.06241 7.81701 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 7.11686 10.8564 8.41018 7.81701 5.06241 6.17649 numMergedOcc 0
7 mol 54 unq 1 iso 1 dist 8.41018 10.8564 7.11686 6.17649 5.06241 7.81701 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 9.43467 7.90262 8.41018 8.5929 5.06241 6.17649 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 8.41018 7.90262 9.43467 6.17649 5.06241 8.5929 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 9.854 5.80772 8.23749 14.6648 9.64488 9.25557 numMergedOcc 0
11 mol 62 unq 0 iso 1 dist 8.23749 5.80772 9.854 9.25557 9.64488 14.6648 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 8.77199 5.42586 8.81824 6.37974 6.00564 5.08358 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 8.81824 5.42586 8.77199 5.08358 6.00564 6.37974 numMergedOcc 0
14 mol 89 unq 0 iso 0 dist 9.66138 5.38878 6.64584 5.41551 7.93088 6.52312 numMergedOcc 0
15 mol 89 unq 0 iso 1 dist 6.64584 5.38878 9.66138 6.52312 7.93088 5.41551 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.20715 9.22558 6.16081 7.61939 8.81779 10.326 numMergedOcc 0
17 mol 119 unq 0 iso 1 dist 6.16081 9.22558 8.20715 10.326 8.81779 7.61939 numMergedOcc 0
18 mol 120 unq 0 iso 0 dist 8.5457 5.20645 6.7928 9.756 9.32166 11.6877 numMergedOcc 0
19 mol 120 unq 0 iso 1 dist 6.7928 5.20645 8.5457 11.6877 9.32166 9.756 numMergedOcc 0
20 mol 120 unq 1 iso 0 dist 8.5457 10.3759 7.59189 9.756 9.32166 14.5665 numMergedOcc 0
21 mol 120 unq 1 iso 1 dist 7.59189 10.3759 8.5457 14.5665 9.32166 9.756 numMergedOcc 0
22 mol 120 unq 1 iso 0 dist 6.7928 5.23943 7.59189 11.6877 9.32166 14.5665 numMergedOcc 0
23 mol 120 unq 1 iso 1 dist 7.59189 5.23943 6.7928 14.5665 9.32166 11.6877 numMergedOcc 0
24 mol 219 unq 0 iso 0 dist 7.68645 7.02195 5.75017 15.8259 9.09124 10.1178 numMergedOcc 0
25 mol 219 unq 0 iso 1 dist 5.75017 7.02195 7.68645 10.1178 9.09124 15.8259 numMergedOcc 0
26 mol 219 unq 1 iso 0 dist 7.68645 13.4387 6.12768 15.8259 9.09124 8.27974 numMergedOcc 0
27 mol 219 unq 1 iso 1 dist 6.12768 13.4387 7.68645 8.27974 9.09124 15.8259 numMergedOcc 0
28 mol 219 unq 2 iso 0 dist 7.68645 10.8119 7.19159 15.8259 9.09124 13.6754 numMergedOcc 0
29 mol 219 unq 2 iso 1 dist 7.19159 10.8119 7.68645 13.6754 9.09124 15.8259 numMergedOcc 0
30 mol 219 unq 1 iso 0 dist 5.75017 10.7348 6.12768 10.1178 9.09124 8.27974 numMergedOcc 0
31 mol 219 unq 1 iso 1 dist 6.12768 10.7348 5.75017 8.27974 9.09124 10.1178 numMergedOcc 0
32 mol 219 unq 2 iso 0 dist 5.75017 10.6748 7.19159 10.1178 9.09124 13.6754 numMergedOcc 0
33 mol 219 unq 2 iso 1 dist 7.19159 10.6748 5.75017 13.6754 9.09124 10.1178 numMergedOcc 0
34 mol 219 unq 2 iso 0 dist 6.12768 6.74494 7.19159 8.27974 9.09124 13.6754 numMergedOcc 0
35 mol 219 unq 2 iso 1 dist 7.19159 6.74494 6.12768 13.6754 9.09124 8.27974 numMergedOcc 0
36 mol 285 unq 0 iso 0 dist 8.89057 8.42646 7.97266 4.82788 5.04032 8.42446 numMergedOcc 0
37 mol 285 unq 0 iso 1 dist 7.97266 8.42646 8.89057 8.42446 5.04032 4.82788 numMergedOcc 0
38 mol 285 unq 1 iso 0 dist 8.89057 8.42646 7.97266 6.20156 8.48397 7.06919 numMergedOcc 0
39 mol 285 unq 1 iso 1 dist 7.97266 8.42646 8.89057 7.06919 8.48397 6.20156 numMergedOcc 0
