0 mol 9 unq 0 iso 0 dist 7.25179 7.95202 4.61049 5.35846 8.72522 6.21942 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.25179 6.75249 6.64015 5.35846 8.72522 6.38082 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.72522 6.21942 4.61049 5.35846 7.25179 7.95202 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 8.72522 6.38082 6.64015 5.35846 7.25179 6.75249 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 6.41856 5.03976 5.01478 4.66547 8.69189 9.42201 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 7.34549 9.08976 11.887 8.78783 8.09068 14.8032 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 7.34549 9.08976 11.887 10.1524 9.72289 13.0219 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 9.89618 6.11881 13.469 7.28669 4.75701 11.8687 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 8.75736 6.77398 5.45435 5.08237 6.76166 8.06229 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 8.75736 5.68207 10.302 5.08237 6.76166 9.87544 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 6.76166 6.33375 5.9915 5.08237 8.75736 10.996 numMergedOcc 0
11 mol 134 unq 3 iso 0 dist 6.76166 8.06229 5.45435 5.08237 8.75736 6.77398 numMergedOcc 0
12 mol 134 unq 4 iso 0 dist 6.32178 6.77398 8.47569 5.08237 7.2977 8.06229 numMergedOcc 0
13 mol 134 unq 5 iso 0 dist 6.32178 5.68207 5.99395 5.08237 7.2977 9.87544 numMergedOcc 0
14 mol 134 unq 6 iso 0 dist 7.2977 6.33375 10.7186 5.08237 6.32178 10.996 numMergedOcc 0
15 mol 134 unq 7 iso 0 dist 7.2977 8.06229 8.47569 5.08237 6.32178 6.77398 numMergedOcc 0
16 mol 140 unq 0 iso 0 dist 6.40792 7.59889 4.90549 5.13431 7.81701 11.2208 numMergedOcc 0
17 mol 178 unq 0 iso 0 dist 7.14849 8.71031 5.25267 13.329 8.63718 13.0808 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.50454 7.82604 8.93318 14.4101 8.80581 16.5153 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.50454 8.22583 9.60512 14.4101 8.80581 16.0943 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 7.84536 7.85296 8.91474 4.62996 7.07723 8.2841 numMergedOcc 0
21 mol 196 unq 1 iso 0 dist 7.84536 7.85296 8.91474 8.92195 6.40064 13.9515 numMergedOcc 0
22 mol 196 unq 2 iso 0 dist 7.07723 8.2841 8.91474 4.62996 7.84536 7.85296 numMergedOcc 0
23 mol 196 unq 3 iso 0 dist 7.07723 8.2841 8.91474 8.03618 6.40064 13.9515 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 4.91961 6.553 5.56749 13.4027 8.9413 10.7835 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 4.91961 6.5097 7.50943 13.4027 8.9413 14.8075 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 4.89168 9.85284 7.12868 9.51432 8.69557 10.8251 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 6.78702 7.74463 6.43013 7.24033 8.59825 11.0134 numMergedOcc 0
28 mol 265 unq 1 iso 0 dist 8.59825 5.88787 5.51535 7.24033 6.78702 8.85003 numMergedOcc 0
29 mol 267 unq 0 iso 0 dist 6.19138 9.18446 6.45566 4.47183 6.54381 6.60591 numMergedOcc 0
30 mol 267 unq 1 iso 0 dist 6.54381 6.60591 6.45566 4.47183 6.19138 9.18446 numMergedOcc 0
31 mol 280 unq 0 iso 0 dist 5.59626 7.10608 6.24406 6.62546 7.1704 12.284 numMergedOcc 0
32 mol 280 unq 1 iso 0 dist 5.59626 7.22993 9.58484 6.62546 7.1704 11.8167 numMergedOcc 0
