0 mol 26 unq 0 iso 0 dist 7.34549 8.06929 10.6756 7.23551 6.73162 12.4188 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.72289 8.58514 10.6756 8.34836 6.73162 12.4188 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 5.25504 7.485 6.60299 4.37893 8.75946 11.7572 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 4.75701 7.63894 8.89062 8.43244 8.39016 7.54496 numMergedOcc 0
4 mol 90 unq 1 iso 0 dist 9.89618 6.17315 8.89062 12.4268 8.39016 7.54496 numMergedOcc 0
5 mol 156 unq 0 iso 0 dist 9.25604 6.96911 7.7635 5.5355 6.88137 7.04913 numMergedOcc 0
6 mol 156 unq 1 iso 0 dist 9.25604 9.81276 6.59087 5.5355 6.88137 10.2686 numMergedOcc 0
7 mol 173 unq 0 iso 0 dist 9.09857 9.476 5.86644 9.00192 8.31897 12.7896 numMergedOcc 0
8 mol 173 unq 1 iso 0 dist 9.09857 5.77288 12.6108 9.00192 8.31897 12.2159 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 9.09322 6.79048 10.3447 6.93732 7.01383 12.209 numMergedOcc 0
10 mol 213 unq 0 iso 0 dist 9.1663 6.98756 5.84474 11.5478 6.68292 10.2818 numMergedOcc 0
11 mol 213 unq 1 iso 0 dist 9.1663 6.98756 5.84474 7.28957 4.26212 7.37935 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 4.91961 7.46311 11.113 12.2893 9.5707 15.1385 numMergedOcc 0
13 mol 234 unq 1 iso 0 dist 4.91961 7.46311 11.113 11.1927 7.85175 16.4261 numMergedOcc 0
14 mol 234 unq 2 iso 0 dist 4.91961 9.8716 11.9788 12.2893 9.5707 12.0926 numMergedOcc 0
15 mol 234 unq 3 iso 0 dist 4.91961 9.8716 11.9788 11.1927 7.85175 14.8756 numMergedOcc 0
16 mol 234 unq 4 iso 0 dist 7.14333 7.46311 5.52595 10.3017 9.39181 14.3251 numMergedOcc 0
17 mol 234 unq 5 iso 0 dist 7.14333 9.8716 4.778 10.3017 9.39181 12.9449 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 6.51823 8.24118 12.6097 9.28896 6.77463 10.1049 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 6.51823 8.24118 12.6097 6.04481 7.2766 12.0846 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 8.95261 9.89312 10.3161 9.63067 7.14834 14.3444 numMergedOcc 0
