0 mol 54 unq 0 iso 0 dist 6.89022 8.89627 8.75957 12.4821 9.41463 10.0092 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 5.83263 10.029 8.21895 8.86183 9.19512 4.09232 numMergedOcc 0
2 mol 123 unq 0 iso 0 dist 8.24171 9.04448 7.30244 11.3179 4.14492 10.9073 numMergedOcc 0
3 mol 123 unq 1 iso 0 dist 5.38148 5.25923 7.30244 7.20593 4.14492 10.9073 numMergedOcc 0
4 mol 123 unq 2 iso 0 dist 6.63094 11.8191 7.30244 6.48535 4.14492 10.9073 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 4.70342 6.30849 6.90583 4.34041 5.95801 9.84473 numMergedOcc 0
6 mol 141 unq 1 iso 0 dist 8.23543 6.30849 6.75593 4.34041 9.92715 9.84473 numMergedOcc 0
7 mol 169 unq 0 iso 0 dist 9.39809 8.16591 7.85698 3.38465 7.65903 7.40692 numMergedOcc 0
8 mol 169 unq 1 iso 0 dist 9.39809 10.2799 6.35799 3.38465 7.65903 9.68109 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 8.93083 5.9935 7.02762 5.25033 5.23187 4.67256 numMergedOcc 0
10 mol 184 unq 1 iso 0 dist 5.62851 8.11291 7.02762 3.56524 5.23187 4.67256 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.64977 15.9388 9.31569 9.48084 8.92135 10.6999 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.64977 4.04186 8.72743 9.48084 8.92135 6.18065 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 9.66947 6.29383 6.81516 8.61408 7.88986 5.19196 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 5.24631 4.52218 7.24614 9.21726 7.4185 6.9508 numMergedOcc 0
15 mol 205 unq 2 iso 0 dist 8.42716 9.6084 5.59832 5.19623 4.97301 5.28417 numMergedOcc 0
16 mol 205 unq 3 iso 0 dist 8.42716 3.5693 9.17562 5.19623 4.97301 7.25932 numMergedOcc 0
17 mol 205 unq 4 iso 0 dist 5.69652 8.16279 5.59832 3.45124 4.97301 5.28417 numMergedOcc 0
18 mol 205 unq 5 iso 0 dist 5.69652 6.29383 9.17562 3.45124 4.97301 7.25932 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 9.07582 9.11338 5.05626 12.4228 8.49349 3.94038 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 8.62183 10.6097 5.05626 14.2062 8.49349 3.94038 numMergedOcc 0
21 mol 217 unq 0 iso 0 dist 9.04156 9.12199 8.4493 4.38808 6.19602 9.98266 numMergedOcc 0
