0 mol 46 unq 0 iso 0 dist 9.57343 6.9762 15.5096 16.7996 8.99557 21.2846 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 6.99027 7.32157 9.42638 11.1775 9.1024 15.7719 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 5.99463 8.4204 8.81193 4.84407 7.923 9.49995 numMergedOcc 0
3 mol 141 unq 0 iso 0 dist 9.54996 6.10556 10.1812 12.6004 6.52227 15.3722 numMergedOcc 0
4 mol 146 unq 0 iso 0 dist 9.10374 8.73563 4.96984 4.67177 9.44765 11.2932 numMergedOcc 0
5 mol 146 unq 1 iso 0 dist 9.10374 7.92203 7.70916 4.67177 9.44765 10.2158 numMergedOcc 0
6 mol 146 unq 2 iso 0 dist 8.21621 9.64915 4.96984 6.31044 9.44765 11.2932 numMergedOcc 0
7 mol 146 unq 3 iso 0 dist 8.21621 6.75663 6.53228 6.31044 9.44765 8.09482 numMergedOcc 0
8 mol 180 unq 0 iso 0 dist 7.11604 8.92145 9.27978 4.10999 9.04442 8.79411 numMergedOcc 0
9 mol 180 unq 1 iso 0 dist 7.11604 8.92145 9.27978 16.1375 9.07802 16.3053 numMergedOcc 0
10 mol 180 unq 2 iso 0 dist 7.11604 8.67796 11.026 4.10999 9.04442 10.3132 numMergedOcc 0
11 mol 180 unq 3 iso 0 dist 7.11604 8.67796 11.026 16.1375 9.07802 18.6354 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 7.41404 9.45718 6.78083 8.64376 7.75422 13.9013 numMergedOcc 0
13 mol 197 unq 1 iso 0 dist 7.41404 8.56826 9.46161 8.64376 7.75422 15.556 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 8.99521 8.31751 8.00084 8.63134 6.54042 12.7784 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 7.89041 5.27184 6.01595 5.05085 9.56736 8.37813 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 7.89041 7.98527 4.93162 5.05085 9.56736 10.4481 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 8.03252 6.9592 9.4448 4.46246 8.31953 6.81257 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.41656 8.25538 11.2057 4.91435 9.70244 8.42076 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.41656 8.25538 11.2057 4.91435 9.70244 8.42076 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.41656 8.25538 11.2057 4.91435 9.70244 8.42076 numMergedOcc 0
