0 mol 11 unq 0 iso 0 dist 4.61088 6.54358 4.10106 7.28643 8.68293 9.32171 6.86684 5.96346 6.859 13.5125 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 4.61088 6.54358 4.10106 9.68636 6.84216 9.89425 6.86684 5.96346 6.859 6.76736 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 7.95042 5.69214 8.66248 7.49157 12.089 8.52463 7.29868 5.80953 14.1137 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 7.95042 5.69214 6.73521 7.73794 10.4905 8.52463 7.29868 5.80953 13.4584 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 7.93183 9.4278 10.8756 9.37804 14.2075 9.02642 14.4878 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 7.32874 8.69057 5.61579 10.7675 9.4278 10.8756 14.0374 14.2075 9.02642 14.4878 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.96708 9.55118 5.69391 10.7434 4.86198 9.92478 11.6378 9.27838 7.58875 13.6186 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 9.78528 9.55118 9.78221 10.7434 6.62699 9.92478 11.6378 16.0048 7.58875 13.6186 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.38498 9.73086 17.4121 4.73407 6.23522 11.6307 5.11416 13.8696 6.14542 7.98468 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.33898 7.06939 4.3481 17.4771 8.85601 13.1158 9.44576 9.75237 6.87506 17.3255 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.64443 9.36001 5.31547 10.2467 8.85601 10.9088 13.9524 9.75237 6.59716 17.3255 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 8.29813 7.92856 11.36 7.94178 11.3043 9.84703 14.0839 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 8.29813 7.92856 11.36 4.4057 6.65501 4.62494 11.6496 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 6.48948 5.92242 3.9764 13.2057 7.92856 11.36 15.7178 11.3043 9.84703 14.0839 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 6.48948 5.92242 3.9764 13.2057 7.92856 11.36 7.42446 6.65501 4.62494 11.6496 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 6.10456 7.54889 10.4782 12.7473 7.92856 17.395 9.67482 6.65501 8.46823 11.6496 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 6.10456 7.54889 10.4782 12.7473 7.92856 17.395 9.85543 11.3043 9.25444 14.0839 numMergedOcc 0
17 mol 98 unq 6 iso 0 dist 6.10456 5.2571 3.9764 12.7473 7.92856 11.36 9.85543 11.3043 9.84703 14.0839 numMergedOcc 0
18 mol 98 unq 7 iso 0 dist 6.10456 5.2571 3.9764 12.7473 7.92856 11.36 9.67482 6.65501 4.62494 11.6496 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 5.99315 5.37047 4.78563 9.14188 8.99891 12.5751 6.48978 7.78652 5.06564 14.3396 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 5.99315 5.37047 4.78563 9.14188 8.99891 12.5751 5.20762 8.91301 7.5373 12.476 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 9.87651 7.02548 11.6011 12.8624 5.36671 15.6111 7.08726 16.4813 8.86449 18.8974 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 7.21333 5.56538 6.84862 8.89157 5.1609 8.88902 7.75656 7.67576 8.43195 3.98604 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 7.21333 7.48954 9.53117 8.89157 5.1609 9.83916 7.75656 7.67576 8.23406 3.98604 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 4.32238 4.43499 10.5638 11.169 11.308 8.95511 12.0915 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 6.16342 6.73665 10.6736 4.32238 4.43499 10.5638 5.88931 10.3435 5.85002 9.93685 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 7.75371 5.69112 13.9096 7.70529 16.795 9.26157 15.4432 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 9.7748 8.9682 17.6038 11.3546 7.2091 16.9668 7.70529 16.795 9.26157 18.9666 numMergedOcc 0
