0 mol 16 unq 0 iso 0 dist 9.46378 6.80052 5.31774 6.39388 6.0266 7.47858 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.57204 8.90024 17.7655 13.2914 21.7811 8.95682 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.79798 9.96446 16.134 15.5614 23.2663 8.18107 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 8.79798 9.96446 16.134 8.51558 16.3418 5.9465 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 8.79798 6.70686 13.618 15.5614 23.2663 9.8859 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 8.79798 6.70686 13.618 8.51558 16.3418 6.97962 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.35267 9.26438 11.8891 5.26309 12.7174 7.80523 numMergedOcc 0
7 mol 124 unq 0 iso 0 dist 8.25764 6.71293 5.31501 5.76663 10.922 6.96281 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.34402 8.66715 6.80292 5.05981 5.80404 9.22232 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.34402 8.66715 6.80292 17.5205 15.062 9.22661 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 8.34402 8.66715 6.80292 15.4908 10.5885 7.56378 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 8.07957 8.95433 6.80292 13.7968 5.80404 9.22232 numMergedOcc 0
12 mol 133 unq 4 iso 0 dist 8.07957 8.95433 6.80292 12.0166 15.062 9.22661 numMergedOcc 0
13 mol 133 unq 5 iso 0 dist 8.07957 8.95433 6.80292 5.14992 10.5885 7.56378 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 9.39921 4.78641 12.0021 6.31156 12.6062 7.36683 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 9.39921 4.78641 12.0021 10.4127 18.7942 6.95086 numMergedOcc 0
16 mol 195 unq 2 iso 0 dist 7.66181 4.78641 7.95188 6.31156 13.0449 7.36683 numMergedOcc 0
17 mol 195 unq 3 iso 0 dist 7.66181 4.78641 7.95188 10.4127 14.5339 6.95086 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 8.55126 8.53615 9.75601 5.3298 10.5182 8.66332 numMergedOcc 0
19 mol 231 unq 0 iso 0 dist 6.00509 6.02527 5.3251 6.46271 11.2829 7.79066 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 6.82475 9.03917 11.9319 4.88651 6.86251 6.36341 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 6.82475 6.56775 5.19684 4.88651 6.86251 6.21292 numMergedOcc 0
22 mol 235 unq 2 iso 0 dist 6.82475 6.56775 5.19684 6.99274 6.20377 6.95126 numMergedOcc 0
23 mol 235 unq 3 iso 0 dist 9.37896 7.8128 5.47633 12.5723 14.186 9.55668 numMergedOcc 0
24 mol 237 unq 0 iso 0 dist 9.02234 9.59483 6.86772 14.3756 11.7176 6.99315 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 5.7099 9.91518 9.40662 11.8916 14.3692 8.00673 numMergedOcc 0
