0 mol 1 unq 0 iso 0 dist 9.78935 6.2936 13.7976 10.8375 8.56884 13.6299 numMergedOcc 0
1 mol 88 unq 0 iso 0 dist 5.92974 7.78176 6.13989 6.06775 9.10189 11.8564 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.24447 7.31426 6.85455 5.60777 7.96555 5.37007 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 6.00131 8.96747 10.2475 6.09495 8.36431 8.91313 numMergedOcc 0
4 mol 101 unq 0 iso 0 dist 7.43143 7.73086 7.83985 5.82598 9.57816 7.61685 numMergedOcc 0
5 mol 102 unq 0 iso 0 dist 6.793 9.2062 6.34242 7.49575 9.94856 9.24642 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 7.41608 6.67326 4.95807 5.81718 9.80862 6.73586 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 6.36583 6.67326 7.39626 6.24736 6.19042 11.5311 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 6.36583 6.67326 7.39626 5.81718 8.43904 6.73586 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 5.45159 9.00087 6.91576 5.9827 6.192 12.6388 numMergedOcc 0
10 mol 127 unq 1 iso 0 dist 5.45159 9.00087 6.91576 7.79941 7.69308 14.0048 numMergedOcc 0
11 mol 127 unq 2 iso 0 dist 5.45159 9.00087 6.91576 13.8098 8.59981 12.6804 numMergedOcc 0
12 mol 127 unq 3 iso 0 dist 5.45159 9.00087 6.91576 12.0185 7.66331 12.282 numMergedOcc 0
13 mol 127 unq 4 iso 0 dist 4.9835 8.66991 6.91576 7.96613 6.192 12.6388 numMergedOcc 0
14 mol 127 unq 5 iso 0 dist 4.9835 8.66991 6.91576 6.32804 7.69308 14.0048 numMergedOcc 0
15 mol 127 unq 6 iso 0 dist 4.9835 8.66991 6.91576 11.5038 8.59981 12.6804 numMergedOcc 0
16 mol 127 unq 7 iso 0 dist 4.9835 8.66991 6.91576 12.1032 7.66331 12.282 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 7.33162 8.79135 11.8576 7.92818 7.93331 16.2194 numMergedOcc 0
18 mol 173 unq 1 iso 0 dist 7.33162 8.79135 11.8576 8.40346 6.98095 16.1875 numMergedOcc 0
19 mol 173 unq 2 iso 0 dist 7.33162 8.79135 11.8576 11.3291 8.31897 18.1409 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 8.40972 9.30761 10.0315 5.55582 6.15769 6.72379 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 9.01377 9.23676 14.3965 14.7256 9.59333 21.3103 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 5.00266 8.75712 7.24924 6.19375 6.99002 13.5821 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 9.49722 8.32948 12.8255 14.13 7.82944 17.3193 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 5.45375 9.54381 6.99137 6.01492 9.02188 10.1085 numMergedOcc 0
