0 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 9.80646 6.84216 9.68636 14.1019 11.0597 14.9214 6.83186 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 12.1387 8.04242 5.76272 14.0035 8.37717 9.01812 4.18248 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 12.1387 8.04242 8.18948 14.0035 8.37717 9.90583 4.18248 numMergedOcc 0
3 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 12.1387 8.04242 14.113 14.0035 8.37717 15.0494 4.18248 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 4.48773 7.92856 8.29813 9.68556 13.6536 14.3025 6.5816 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 4.48773 7.92856 13.2057 9.68556 13.6536 17.4636 6.5816 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.9747 11.3628 6.10456 4.48773 7.92856 12.7473 9.68556 13.6536 18.9347 6.5816 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 4.50572 6.88489 5.08437 3.8493 7.92856 8.29813 9.23905 13.6536 14.3025 6.5816 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 4.50572 9.63267 6.48948 3.8493 7.92856 13.2057 9.23905 13.6536 17.4636 6.5816 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 4.50572 9.82583 6.10456 3.8493 7.92856 12.7473 9.23905 13.6536 18.9347 6.5816 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 5.96967 7.02367 5.37655 9.86767 13.0914 9.59585 7.02358 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 8.89481 4.36935 5.86073 7.52951 9.30832 5.46207 14.4081 10.2689 10.1945 9.14336 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 7.04864 4.5543 8.75408 4.74539 6.42623 5.6295 11.0505 5.61274 12.0528 7.84207 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 7.04864 4.5543 8.75408 4.74539 6.42623 5.6295 8.03124 3.35803 10.8176 6.98791 numMergedOcc 0
14 mol 120 unq 2 iso 0 dist 7.04864 4.5543 8.75408 11.4443 8.95899 8.97962 11.0505 5.61274 12.0528 8.56947 numMergedOcc 0
15 mol 120 unq 3 iso 0 dist 7.04864 6.81949 6.44653 4.74539 6.42623 3.824 11.0505 5.61274 7.53694 7.84207 numMergedOcc 0
16 mol 120 unq 4 iso 0 dist 7.04864 6.81949 6.44653 4.74539 6.42623 3.824 8.03124 3.35803 8.38358 6.98791 numMergedOcc 0
17 mol 120 unq 5 iso 0 dist 7.04864 6.81949 6.44653 11.4443 8.95899 4.96885 11.0505 5.61274 7.53694 8.56947 numMergedOcc 0
18 mol 122 unq 0 iso 0 dist 6.78949 7.54208 8.37808 6.80573 4.42563 7.90729 12.9454 6.34716 13.7903 8.565 numMergedOcc 0
19 mol 122 unq 1 iso 0 dist 9.40018 11.0216 8.37808 12.9961 4.42563 7.90729 13.6426 6.34716 13.7903 8.565 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 9.81306 8.99891 9.14188 10.5624 6.75249 8.64905 4.3855 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 9.36079 13.6173 7.7366 12.9317 4.51255 7.83734 11.8579 4.46135 11.1153 6.80296 numMergedOcc 0
22 mol 206 unq 1 iso 0 dist 7.42904 9.96254 7.7366 10.8126 4.51255 7.83734 10.9003 4.46135 11.1153 6.80296 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 3.71488 4.43499 4.32238 5.17335 4.61469 9.68695 6.09626 numMergedOcc 0
24 mol 253 unq 0 iso 0 dist 8.91612 5.11865 6.73034 13.0515 9.27311 10.2118 12.0075 5.10494 10.8753 8.66299 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 7.67598 8.99993 8.29103 8.46364 4.80903 5.08421 13.3942 6.73995 8.97872 5.58222 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 7.31817 4.9764 11.8607 5.11998 7.75371 5.69112 7.98956 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 9.29635 10.8075 9.7748 3.91224 6.36559 10.9137 5.11998 7.75371 5.69112 5.86185 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 7.30677 4.49592 5.99797 15.2035 7.22011 13.0682 8.07775 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 7.53641 5.58251 8.2734 5.33412 4.49592 5.99797 9.01115 7.22011 13.0682 8.07775 numMergedOcc 0
