0 mol 12 unq 0 iso 0 dist 9.42122 5.25583 6.32851 5.77108 12.1184 6.6051 10.9157 10.0458 6.67154 8.17618 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 6.76604 8.58468 8.23357 9.26114 12.6167 7.34681 14.7534 19.0501 13.5023 6.53817 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 6.76604 8.58468 8.23357 9.26114 12.6167 7.34681 16.5933 21.6371 15.703 9.81769 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.94728 9.08536 4.71974 16.6438 11.1576 7.69637 15.7396 10.3957 9.1927 6.85331 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.38139 7.99735 5.0573 13.11 10.4777 9.53081 17.0309 11.87 12.299 5.36645 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 9.23164 7.85826 5.04832 7.26196 10.3662 5.66803 10.0975 9.78246 5.9853 5.54343 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 9.23164 7.85826 5.04832 7.27834 6.27017 8.85416 12.9323 4.23724 6.43864 9.99634 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.45085 5.56645 4.69562 9.91621 12.4674 8.53914 13.3377 10.3139 9.09837 7.4371 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 7.24083 8.45451 9.3565 12.0208 14.5193 7.18976 9.5585 13.3692 5.1738 7.23052 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.27008 8.61918 8.09812 15.6785 14.5023 8.76088 11.2882 9.06218 8.99025 8.96061 numMergedOcc 0
10 mol 140 unq 0 iso 0 dist 8.15605 9.16949 4.46614 11.7651 12.9378 9.13339 15.129 11.6664 7.94378 8.28732 numMergedOcc 0
11 mol 280 unq 0 iso 0 dist 9.69573 8.71581 6.22294 7.74111 14.0815 9.76967 12.5446 21.682 18.1328 9.26066 numMergedOcc 0
12 mol 280 unq 1 iso 0 dist 6.42515 9.79817 6.22294 13.8226 14.0815 9.76967 19.0085 21.682 18.1328 9.26066 numMergedOcc 0
13 mol 280 unq 2 iso 0 dist 9.8581 9.79817 12.9626 13.8226 20.9834 9.76967 19.0085 28.0541 18.1328 9.26066 numMergedOcc 0
14 mol 281 unq 0 iso 0 dist 9.18565 7.90993 9.69803 11.8486 14.1448 6.58925 17.1776 14.8932 9.49279 9.48968 numMergedOcc 0
15 mol 294 unq 0 iso 0 dist 8.63523 8.90069 4.33731 10.2133 9.23009 9.22572 12.0867 5.08625 4.40208 8.52208 numMergedOcc 0
