0 mol 13 unq 0 iso 0 dist 9.1093 14.9768 8.5226 15.8491 6.94397 7.44816 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 7.8565 6.6667 7.95705 14.5167 10.4607 8.8018 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 4.87397 4.42255 6.00709 11.3261 10.3841 7.11686 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 4.87397 4.42255 6.00709 13.2884 12.947 9.43467 numMergedOcc 0
4 mol 54 unq 2 iso 0 dist 4.87397 4.42255 6.00709 9.72013 10.3082 8.41018 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 7.64177 10.7486 7.9399 10.2072 4.47138 9.854 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 7.64177 10.7486 7.9399 11.6456 4.16095 8.23749 numMergedOcc 0
7 mol 62 unq 2 iso 0 dist 7.92027 11.7805 7.9399 6.56664 4.47138 9.854 numMergedOcc 0
8 mol 62 unq 3 iso 0 dist 7.92027 11.7805 7.9399 11.3813 4.16095 8.23749 numMergedOcc 0
9 mol 62 unq 4 iso 0 dist 6.08756 6.89811 7.9399 7.99003 4.47138 9.854 numMergedOcc 0
10 mol 62 unq 5 iso 0 dist 6.08756 6.89811 7.9399 9.52036 4.16095 8.23749 numMergedOcc 0
11 mol 63 unq 0 iso 0 dist 8.64534 4.29981 8.20976 6.65465 13.2118 8.79583 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.66549 7.18472 9.27456 10.6752 4.49 8.77199 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 9.66549 7.18472 9.27456 12.9998 5.8457 8.81824 numMergedOcc 0
14 mol 108 unq 0 iso 0 dist 8.89997 10.8636 9.10985 14.02 8.29763 9.13454 numMergedOcc 0
15 mol 110 unq 0 iso 0 dist 5.36955 3.82347 4.78944 8.80033 3.94206 6.60331 numMergedOcc 0
16 mol 110 unq 1 iso 0 dist 5.36955 3.82347 4.78944 9.94635 7.58348 9.22311 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 5.59311 3.62675 4.80778 9.73536 13.46 8.75049 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.22456 3.62675 6.58803 9.73536 13.7612 8.75049 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 5.7232 3.62675 6.31523 9.73536 4.64588 8.75049 numMergedOcc 0
20 mol 185 unq 0 iso 0 dist 6.06763 8.11468 6.70069 6.62848 4.53126 8.78799 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 7.45384 5.81649 8.71602 8.16369 4.94882 9.16817 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 7.09776 9.28788 8.71535 9.09043 5.44171 9.18589 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 8.28068 8.40497 7.81415 14.2439 11.0354 8.25636 numMergedOcc 0
