0 mol 0 unq 0 iso 0 dist 7.79297 9.17475 7.46173 4.16512 6.91778 5.15929 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 10.8481 6.79185 5.33298 8.95682 7.95596 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.90024 6.66818 6.79185 13.2914 8.95682 7.95596 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.72872 4.09633 5.63261 9.96083 7.07339 6.48832 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 6.72872 4.09633 5.63261 7.03665 7.23317 5.00469 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.43143 12.6797 8.96978 11.9655 9.27838 10.2373 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.96446 14.0484 7.48658 15.5614 8.18107 10.5097 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.96446 14.0484 7.48658 8.51558 5.9465 6.60364 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.61812 9.18537 4.5985 7.76066 7.80975 4.71426 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.66715 12.9222 9.64695 5.05981 9.22232 15.8925 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.66715 12.9222 9.64695 17.5205 9.22661 12.4336 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 8.66715 12.9222 9.64695 15.4908 7.56378 9.98416 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 8.95433 12.5445 9.64695 13.7968 9.22232 15.8925 numMergedOcc 0
13 mol 133 unq 4 iso 0 dist 8.95433 12.5445 9.64695 12.0166 9.22661 12.4336 numMergedOcc 0
14 mol 133 unq 5 iso 0 dist 8.95433 12.5445 9.64695 5.14992 7.56378 9.98416 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 7.39185 6.59104 6.42016 6.35777 7.36683 10.9989 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 7.39185 6.59104 6.42016 8.75868 6.95086 6.66806 numMergedOcc 0
17 mol 195 unq 2 iso 0 dist 4.78641 7.78918 6.42016 6.31156 7.36683 10.9989 numMergedOcc 0
18 mol 195 unq 3 iso 0 dist 4.78641 7.78918 6.42016 10.4127 6.95086 6.66806 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 7.70631 15.4811 8.02386 14.5203 7.50013 6.08776 numMergedOcc 0
20 mol 197 unq 1 iso 0 dist 7.70631 15.4811 8.02386 11.199 5.81233 9.67405 numMergedOcc 0
21 mol 197 unq 2 iso 0 dist 7.70631 15.4811 8.02386 12.0358 6.92924 6.34927 numMergedOcc 0
22 mol 197 unq 3 iso 0 dist 7.70631 15.4811 8.02386 7.10431 7.14306 12.7634 numMergedOcc 0
23 mol 197 unq 4 iso 0 dist 7.70631 7.35039 6.6259 14.5203 7.50013 11.529 numMergedOcc 0
24 mol 197 unq 5 iso 0 dist 7.70631 7.35039 6.6259 11.199 5.81233 11.1317 numMergedOcc 0
25 mol 197 unq 6 iso 0 dist 7.70631 7.35039 6.6259 12.0358 6.92924 6.01177 numMergedOcc 0
26 mol 197 unq 7 iso 0 dist 7.70631 7.35039 6.6259 7.10431 7.14306 4.09986 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 9.73691 13.8211 8.96646 10.1372 8.14332 4.14961 numMergedOcc 0
28 mol 213 unq 1 iso 0 dist 9.73691 14.9053 7.2016 10.1372 8.14332 12.2386 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 8.82778 7.87346 6.8597 15.4125 8.84636 11.4483 numMergedOcc 0
30 mol 240 unq 0 iso 0 dist 7.6664 8.025 7.55134 5.1741 6.68687 10.9665 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 9.13226 5.04646 6.92434 8.85159 9.85289 4.67674 numMergedOcc 0
32 mol 274 unq 1 iso 0 dist 9.13226 13.7104 6.93875 8.85159 9.85289 14.1093 numMergedOcc 0
33 mol 274 unq 2 iso 0 dist 9.13226 15.0989 6.0868 8.85159 9.85289 13.6948 numMergedOcc 0
34 mol 274 unq 3 iso 0 dist 9.13226 14.8539 6.32856 8.85159 9.85289 13.6849 numMergedOcc 0
35 mol 284 unq 0 iso 0 dist 7.43241 11.0973 8.06073 10.1686 6.78191 8.34088 numMergedOcc 0
