0 mol 11 unq 0 iso 0 dist 9.74528 7.86896 6.84216 11.3059 9.89425 4.10106 9.23212 9.68636 4.61088 6.54358 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 4.8983 4.30874 7.37171 5.75925 4.27766 6.41115 11.6749 15.1432 8.70481 15.0347 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 5.91098 10.2219 7.61521 13.363 9.57759 4.09069 4.83274 3.69293 6.97941 10.2456 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 4.86523 7.74851 7.61521 7.37421 9.57759 4.09069 7.89214 3.69293 6.97941 10.2456 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.02905 4.33346 7.51733 8.32734 4.3439 4.99174 8.26838 4.73066 9.03572 8.27883 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 9.02905 4.33346 7.51733 4.79063 6.05855 4.46005 8.26838 4.73066 9.03572 5.75428 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 9.02905 7.47119 9.01607 8.32734 4.3439 8.67311 8.26838 4.73066 8.83255 8.27883 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 9.02905 7.47119 9.01607 4.79063 6.05855 3.94293 8.26838 4.73066 8.83255 5.75428 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.64908 10.746 6.87434 6.13615 5.92828 6.95317 9.43616 4.69658 7.71338 8.47988 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 9.64908 10.746 6.87434 4.49971 9.1247 7.57713 9.43616 4.69658 7.71338 8.0427 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 9.99012 17.4764 8.64905 12.1494 6.60366 7.39837 12.703 6.75249 5.99315 5.40637 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 5.33772 5.11989 8.64905 7.11802 6.60366 7.39837 7.5984 6.75249 5.99315 5.40637 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.09561 10.0459 6.79114 14.2685 8.60651 4.94983 11.3133 4.68615 5.87555 6.70693 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 8.09561 10.0459 6.79114 14.2685 8.60651 4.94983 13.5498 9.35878 8.87437 10.4895 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.83628 14.3203 9.31158 6.31671 7.68686 8.97813 19.1456 10.8636 9.61492 15.255 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 8.83628 14.3203 9.31158 6.31671 7.68686 8.97813 10.8734 5.42503 7.45763 8.95122 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 9.80396 6.27022 8.94786 12.9816 9.454 10.1605 7.71295 8.57513 6.73034 14.9259 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 4.1545 5.77904 4.9764 6.65084 5.13533 3.97543 8.35794 11.8607 9.7748 12.1398 numMergedOcc 0
