0 mol 10 unq 0 iso 0 dist 9.31452 8.44864 5.16967 6.50444 4.75564 3.92592 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.62527 8.99751 10.4631 9.90986 8.90517 5.29055 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.62527 9.44507 12.1978 9.90986 8.90517 4.76998 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.45133 8.51496 4.96793 8.98564 9.66828 5.58618 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 7.45133 8.51496 4.96793 7.51725 9.99681 7.28949 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.99115 8.51942 6.10379 8.28839 10.9175 12.0805 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 9.99115 8.51942 6.10379 7.07396 5.4638 3.95673 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.96175 8.17655 12.4018 8.57705 9.32786 3.81317 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 9.96175 6.47416 5.71329 8.57705 9.32786 4.08868 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 9.96175 8.0255 9.59013 8.57705 9.32786 5.64395 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 7.88704 5.91009 5.97632 7.84642 11.8383 6.11879 numMergedOcc 0
11 mol 83 unq 1 iso 0 dist 9.54782 5.91009 11.351 7.84642 9.28473 6.11879 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 9.15172 5.37302 11.6513 6.12348 13.6511 3.84573 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 8.51507 7.6005 7.11876 9.87191 6.70718 3.82942 numMergedOcc 0
14 mol 116 unq 1 iso 0 dist 8.22285 8.7583 7.11876 9.21528 6.70718 3.82942 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.06644 5.49198 5.90151 9.13697 10.5047 6.06606 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.06644 8.7311 5.75197 9.13697 10.5047 12.1477 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.53875 7.6793 12.6641 5.56446 9.00263 9.84473 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 9.39697 8.13947 6.45756 9.48766 9.72539 5.66395 numMergedOcc 0
19 mol 195 unq 1 iso 0 dist 4.86882 8.13947 5.65165 9.48766 5.49738 5.66395 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 8.19381 5.79898 11.4169 9.11416 14.199 5.30519 numMergedOcc 0
21 mol 244 unq 1 iso 0 dist 8.93421 5.79898 12.7764 9.11416 15.195 5.30519 numMergedOcc 0
22 mol 244 unq 2 iso 0 dist 7.35657 5.79898 12.7037 9.11416 16.1506 5.30519 numMergedOcc 0
23 mol 244 unq 3 iso 0 dist 6.19605 5.79898 8.63792 9.11416 9.34983 5.30519 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 9.86767 6.60049 6.28133 7.78796 7.61793 3.92782 numMergedOcc 0
