0 mol 11 unq 0 iso 0 dist 6.27964 4.37231 6.79478 9.4295 4.13124 8.01262 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.27964 4.37231 6.79478 10.0141 13.0674 6.58046 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 5.8689 4.80143 6.79478 5.56531 4.13124 8.01262 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 5.8689 4.80143 6.79478 10.2154 13.0674 6.58046 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 7.87317 11.9718 6.87871 16.7805 15.1968 9.99939 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 7.93406 4.67517 9.56737 9.49636 13.6875 7.17488 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 8.21723 4.98967 8.0614 6.29267 8.33013 5.25027 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 8.21723 4.98967 8.0614 8.85201 9.53139 4.37025 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 7.1891 4.65767 5.25492 10.725 7.32685 9.10911 numMergedOcc 0
9 mol 110 unq 1 iso 0 dist 7.67702 5.33778 5.25492 7.59747 7.32685 9.10911 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 5.05141 4.41283 8.42147 8.51084 10.3018 9.06601 numMergedOcc 0
11 mol 111 unq 1 iso 0 dist 5.05141 4.41283 8.42147 5.53271 4.88926 5.98809 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 9.50807 5.81216 7.11388 11.2765 4.32945 8.2777 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 7.97262 4.93029 6.42756 5.86693 6.97119 7.46621 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 5.82588 4.37081 6.42756 10.0082 6.97119 7.46621 numMergedOcc 0
15 mol 141 unq 2 iso 0 dist 9.90846 5.63656 6.42756 12.1956 6.97119 7.46621 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 8.12739 8.65331 9.57611 14.6392 9.57126 9.32259 numMergedOcc 0
17 mol 178 unq 0 iso 0 dist 9.56963 16.8486 8.0974 21.0282 12.4011 4.72821 numMergedOcc 0
18 mol 178 unq 1 iso 0 dist 5.95885 11.6817 8.0974 15.7057 12.4011 4.72821 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 7.2078 10.5082 6.47339 13.5491 6.52619 6.77156 numMergedOcc 0
20 mol 198 unq 1 iso 0 dist 7.2078 10.5082 6.47339 16.3412 9.94769 7.97894 numMergedOcc 0
21 mol 198 unq 2 iso 0 dist 7.2078 10.5082 6.47339 11.3899 8.48501 8.08471 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 7.9678 9.7129 8.43584 18.7649 14.8213 9.31158 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 8.14413 5.06314 9.67457 10.2968 8.81074 6.85824 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 9.65375 17.1285 8.68464 12.8473 3.79439 8.60731 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 5.62744 9.00069 6.37342 10.2617 7.72768 4.43499 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 7.42888 5.29393 5.73296 4.98907 8.9947 8.03012 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 5.14122 11.5005 9.59213 16.722 13.876 8.54108 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 7.2491 12.5075 8.71213 10.688 3.97296 6.71946 numMergedOcc 0
29 mol 285 unq 1 iso 0 dist 7.2491 12.5075 8.71213 15.1667 11.6681 8.28061 numMergedOcc 0
30 mol 285 unq 2 iso 0 dist 7.2491 12.5075 8.71213 15.3481 10.6606 5.03601 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 7.71392 9.07177 9.70907 5.18334 5.71856 7.56669 numMergedOcc 0
32 mol 294 unq 1 iso 0 dist 6.6112 5.08625 9.70907 6.44588 5.71856 7.56669 numMergedOcc 0
33 mol 294 unq 2 iso 0 dist 7.6859 9.07177 6.47832 5.18334 4.99494 7.56669 numMergedOcc 0
34 mol 294 unq 3 iso 0 dist 8.35722 5.08625 6.47832 6.44588 4.99494 7.56669 numMergedOcc 0
