0 mol 32 unq 0 iso 0 dist 7.18766 9.65897 6.49199 5.9972 4.84198 5.33785 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.55901 5.91068 4.22398 9.56614 12.0023 12.7313 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 8.80108 7.60018 10.7257 8.88313 3.8375 10.2297 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 8.80108 7.60018 10.7257 5.48837 6.11446 4.72216 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 8.80108 7.03126 11.0945 8.88313 3.8375 11.7295 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 8.80108 7.03126 11.0945 5.48837 6.11446 5.77163 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 7.71582 5.28732 6.67934 6.1847 3.99025 5.06277 numMergedOcc 0
7 mol 88 unq 1 iso 0 dist 7.71582 5.28732 6.67934 4.70557 6.69123 5.70431 numMergedOcc 0
8 mol 88 unq 2 iso 0 dist 6.65776 5.28732 4.39545 6.1847 6.08504 5.06277 numMergedOcc 0
9 mol 88 unq 3 iso 0 dist 6.65776 5.28732 4.39545 4.70557 3.77436 5.70431 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 8.39249 5.51885 4.81369 7.93956 12.4143 8.25866 numMergedOcc 0
11 mol 135 unq 0 iso 0 dist 9.1005 9.09753 7.17391 9.94534 11.4615 4.98191 numMergedOcc 0
12 mol 135 unq 1 iso 0 dist 9.1005 7.6337 6.06659 9.94534 11.4615 5.83178 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 6.74517 9.65629 4.01736 7.6077 6.54263 5.42718 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 5.89018 8.66162 4.08137 7.76863 6.68247 4.7839 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 5.89018 5.3819 9.11693 4.51124 3.99343 5.80328 numMergedOcc 0
16 mol 204 unq 2 iso 0 dist 5.89018 5.3819 9.11693 8.41517 11.4601 3.68217 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 8.74171 5.461 7.09198 7.77553 8.90887 6.12056 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 8.57853 8.61306 16.2592 8.5244 13.6229 5.42052 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 6.75035 8.61306 10.1772 8.5244 6.19774 5.42052 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.75834 8.91356 3.92979 9.27079 14.7677 14.9585 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 8.75834 9.57455 9.35263 9.27079 14.7677 7.82941 numMergedOcc 0
22 mol 225 unq 2 iso 0 dist 7.51827 8.91356 13.317 9.27079 4.10982 14.9585 numMergedOcc 0
23 mol 225 unq 3 iso 0 dist 7.51827 9.57455 8.90754 9.27079 4.10982 7.82941 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 8.49841 8.27411 6.00588 5.69634 11.8096 12.9557 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 8.49841 6.96257 14.8966 5.69634 11.8096 4.70248 numMergedOcc 0
26 mol 234 unq 2 iso 0 dist 9.6101 8.27411 13.9373 5.69634 6.12476 12.9557 numMergedOcc 0
27 mol 234 unq 3 iso 0 dist 9.6101 6.96257 10.72 5.69634 6.12476 4.70248 numMergedOcc 0
28 mol 254 unq 0 iso 0 dist 6.03988 9.66641 5.91806 7.23916 4.84855 8.8967 numMergedOcc 0
29 mol 254 unq 1 iso 0 dist 6.03988 9.66641 5.91806 6.12653 5.67608 10.929 numMergedOcc 0
30 mol 254 unq 2 iso 0 dist 6.03988 9.26575 5.04088 7.23916 4.84855 9.42679 numMergedOcc 0
31 mol 254 unq 3 iso 0 dist 6.03988 9.26575 5.04088 6.12653 5.67608 10.706 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 6.75716 9.19905 9.96809 9.48951 13.0091 5.32084 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 8.49866 6.66172 5.70568 9.85661 15.8795 10.6981 numMergedOcc 0
34 mol 286 unq 0 iso 0 dist 8.81794 7.31896 8.0943 9.81574 13.7624 5.83399 numMergedOcc 0
