0 mol 11 unq 0 iso 0 dist 5.8689 5.56531 4.13124 4.80143 6.79478 8.01262 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 8.85511 7.31881 5.97155 6.77896 13.7788 9.58351 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.21723 6.29267 8.33013 4.98967 8.0614 5.25027 numMergedOcc 0
3 mol 110 unq 0 iso 0 dist 7.67702 7.59747 7.32685 5.33778 5.25492 9.10911 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 8.38367 8.51084 4.21801 4.41283 10.7481 9.06601 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 8.38367 5.53271 10.0002 4.41283 10.7481 5.98809 numMergedOcc 0
6 mol 111 unq 2 iso 0 dist 5.05141 8.51084 10.3018 4.41283 8.42147 9.06601 numMergedOcc 0
7 mol 111 unq 3 iso 0 dist 5.05141 5.53271 4.88926 4.41283 8.42147 5.98809 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 5.38954 5.94465 5.11935 6.3368 10.5232 7.42146 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 5.69775 8.06631 8.5036 11.5024 14.5971 8.57739 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 7.97262 5.86693 6.97119 4.93029 6.42756 7.46621 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 7.26891 8.50487 4.8443 8.81984 10.7167 8.89394 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.71294 6.3472 7.67657 4.51874 10.8927 4.72821 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 7.42888 4.98907 8.9947 5.29393 5.73296 8.03012 numMergedOcc 0
14 mol 294 unq 0 iso 0 dist 5.47073 7.58948 9.78727 9.41638 13.3489 8.88595 numMergedOcc 0
15 mol 294 unq 1 iso 0 dist 7.71392 5.18334 5.71856 9.07177 9.70907 7.56669 numMergedOcc 0
16 mol 294 unq 2 iso 0 dist 6.6112 6.44588 5.71856 5.08625 9.70907 7.56669 numMergedOcc 0
17 mol 294 unq 3 iso 0 dist 5.02677 5.18334 8.52592 9.07177 12.8915 7.56669 numMergedOcc 0
18 mol 294 unq 4 iso 0 dist 8.34193 6.44588 8.52592 5.08625 12.8915 7.56669 numMergedOcc 0
19 mol 294 unq 5 iso 0 dist 7.6859 5.18334 4.99494 9.07177 6.47832 7.56669 numMergedOcc 0
20 mol 294 unq 6 iso 0 dist 8.35722 6.44588 4.99494 5.08625 6.47832 7.56669 numMergedOcc 0
