0 mol 59 unq 0 iso 0 dist 8.3906 9.85934 9.52595 12.2156 6.65344 14.4722 numMergedOcc 0
1 mol 83 unq 0 iso 0 dist 7.34329 8.82069 4.64757 5.19792 9.21173 12.1412 numMergedOcc 0
2 mol 83 unq 1 iso 0 dist 9.52645 7.03997 4.64757 13.4104 9.21173 12.1412 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 7.91249 9.92781 7.06961 5.67998 5.9747 10.9995 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 7.91249 9.92781 7.06961 7.32948 4.50572 11.1541 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 7.94919 6.56349 7.06961 13.2802 5.9747 10.9995 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 7.94919 6.56349 7.06961 12.2834 4.50572 11.1541 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 6.68587 8.13828 8.2619 7.66137 7.04864 8.73484 numMergedOcc 0
8 mol 180 unq 0 iso 0 dist 7.73514 8.91075 8.77337 9.02836 7.1027 14.4034 numMergedOcc 0
9 mol 237 unq 0 iso 0 dist 9.88189 7.13903 12.2098 11.3357 8.56463 11.9004 numMergedOcc 0
10 mol 237 unq 1 iso 0 dist 9.88189 7.13903 12.2098 18.6757 9.42743 18.9465 numMergedOcc 0
11 mol 264 unq 0 iso 0 dist 7.62761 8.56593 5.00209 6.08753 8.19504 9.3201 numMergedOcc 0
12 mol 273 unq 0 iso 0 dist 9.54195 8.14068 10.8141 11.5561 8.57501 12.8779 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 8.45131 5.72538 13.2859 5.54858 9.53313 10.1363 numMergedOcc 0
14 mol 287 unq 1 iso 0 dist 8.45131 5.72538 13.2859 3.81488 7.26542 8.42076 numMergedOcc 0
15 mol 288 unq 0 iso 0 dist 8.45131 5.72538 13.2859 5.54858 9.53313 10.1363 numMergedOcc 0
16 mol 288 unq 1 iso 0 dist 8.45131 5.72538 13.2859 3.81488 7.26542 8.42076 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 8.45131 5.72538 13.2859 5.54858 9.53313 10.1363 numMergedOcc 0
18 mol 289 unq 1 iso 0 dist 8.45131 5.72538 13.2859 3.81488 7.26542 8.42076 numMergedOcc 0
