0 mol 18 unq 0 iso 0 dist 6.41856 5.03976 5.01478 10.3745 10.4086 8.80193 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.51213 5.03976 7.04695 10.3745 15.3722 8.80193 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.16494 5.77643 5.32981 4.4218 10.7798 8.90835 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 9.02927 7.41523 5.0364 9.13281 11.6539 6.73801 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 9.02927 7.41523 5.0364 11.098 8.51663 6.42834 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.79726 7.11013 5.59971 12.6241 14.2829 9.63599 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 7.42431 9.02541 7.59143 11.296 12.9634 9.10794 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.57352 6.32393 8.69934 13.0372 12.4163 7.33541 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 8.75736 6.77398 5.45435 10.2038 14.2392 8.84087 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 8.75736 5.68207 10.302 10.2038 14.2392 8.1856 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 6.76166 6.33375 5.9915 11.528 11.2937 6.21403 numMergedOcc 0
11 mol 134 unq 3 iso 0 dist 6.76166 8.06229 5.45435 14.42 14.2392 8.84087 numMergedOcc 0
12 mol 134 unq 4 iso 0 dist 6.32178 6.77398 8.47569 10.2038 13.6797 8.84087 numMergedOcc 0
13 mol 134 unq 5 iso 0 dist 6.32178 5.68207 5.99395 10.2038 13.6797 8.1856 numMergedOcc 0
14 mol 134 unq 6 iso 0 dist 7.2977 6.33375 10.7186 11.528 14.5447 6.21403 numMergedOcc 0
15 mol 134 unq 7 iso 0 dist 7.2977 8.06229 8.47569 14.42 13.6797 8.84087 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 9.03632 7.63085 6.63727 6.99918 10.1759 9.6096 numMergedOcc 0
17 mol 174 unq 0 iso 0 dist 6.90813 8.79469 8.37744 7.20832 9.87122 7.47932 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.50454 7.82604 8.93318 10.5886 14.7352 5.95304 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.50454 8.22583 9.60512 6.15536 5.9176 5.97685 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 7.15963 7.82604 8.25067 10.5886 8.90963 5.95304 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 7.15963 8.22583 14.8479 6.15536 11.602 5.97685 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.8508 7.55974 5.85375 5.48326 11.6901 8.97471 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 8.59825 5.88787 5.51535 4.40079 9.58094 5.40318 numMergedOcc 0
24 mol 265 unq 1 iso 0 dist 7.83102 5.88787 4.65134 4.40079 6.71375 5.40318 numMergedOcc 0
25 mol 267 unq 0 iso 0 dist 6.19138 9.18446 6.45566 6.18902 10.2761 9.01354 numMergedOcc 0
26 mol 267 unq 1 iso 0 dist 6.54381 6.60591 6.45566 4.37995 10.2761 9.01354 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 7.06108 7.2452 9.94943 4.22972 9.99864 5.81266 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 5.59626 7.10608 6.24406 6.58462 9.57924 5.80452 numMergedOcc 0
29 mol 280 unq 1 iso 0 dist 5.59626 7.22993 9.58484 6.58462 9.57924 7.82157 numMergedOcc 0
30 mol 280 unq 2 iso 0 dist 5.59626 7.22993 9.58484 4.4018 9.762 9.18069 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 7.11081 8.66938 12.1551 7.79184 14.0184 5.7131 numMergedOcc 0
