0 mol 27 unq 0 iso 0 dist 9.19658 9.10646 10.8529 7.96851 9.58751 13.4746 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.19658 9.76721 3.71141 7.96851 9.58751 9.52155 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 5.67098 7.11102 4.30611 3.97946 5.42296 6.28905 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 8.58218 8.48054 4.30611 7.82134 5.42296 6.28905 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.17564 8.11934 10.9396 4.82623 7.92479 6.10199 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 8.17564 8.11934 10.9396 8.76577 7.86646 15.652 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 5.82918 6.64933 5.62882 6.15983 9.08952 11.4934 numMergedOcc 0
7 mol 88 unq 1 iso 0 dist 5.82918 8.67727 4.74866 6.15983 9.08952 11.8985 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.30724 9.64544 3.96397 9.79765 6.18681 9.33968 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 9.30724 9.64544 3.96397 8.32366 9.33288 12.3535 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 5.44714 7.3324 3.85992 8.67805 5.45882 6.13175 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 5.44714 7.3324 3.85992 6.03962 4.57487 4.34107 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 7.25217 6.8458 5.27716 5.21212 8.61909 5.45716 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.00025 9.52193 15.6631 3.47137 7.6077 11.4625 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 8.26654 5.14547 7.3711 3.86201 9.87719 8.92454 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 7.31632 9.67328 6.30764 9.74857 9.81165 9.66947 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 7.31632 9.67328 6.30764 3.58452 7.8423 11.8413 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 7.31632 9.67328 6.30764 5.83113 7.74029 5.69652 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 7.79085 6.69874 9.65665 13.7353 8.49913 13.6822 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 6.48753 5.40264 9.65665 10.1969 8.49913 13.6822 numMergedOcc 0
20 mol 232 unq 2 iso 0 dist 7.83802 7.91491 9.65665 6.46773 8.49913 13.6822 numMergedOcc 0
21 mol 286 unq 0 iso 0 dist 8.39965 8.95266 14.0605 3.85003 7.79622 12.7863 numMergedOcc 0
