0 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 15.6999 7.15287 6.22892 14.4965 12.8323 9.87885 12.1855 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.49709 5.51815 4.61088 10.6872 7.86896 9.23212 5.59847 4.10106 6.54358 11.3059 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.68517 5.65481 4.7319 8.62634 6.05535 9.04834 10.0048 6.86055 7.65889 5.37568 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 12.5796 5.76725 6.35095 10.2624 4.82629 6.6219 5.06352 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 7.40392 8.23069 5.54419 12.5796 5.76725 6.35095 13.5967 10.1698 5.68215 7.63533 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 7.40392 8.59466 7.36323 10.2518 5.75653 5.87895 13.1831 6.28159 8.87744 6.87351 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 7.40392 8.59466 7.36323 10.2518 5.75653 5.87895 11.0243 5.50396 7.27472 7.79018 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.56181 7.70414 9.67592 8.71324 9.73304 9.10915 10.7474 5.16015 9.86334 6.24019 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 9.56181 7.70414 9.67592 13.1382 10.8918 8.66921 10.7474 5.16015 9.86334 7.01498 numMergedOcc 0
9 mol 64 unq 2 iso 0 dist 9.56181 7.70414 9.67592 9.5663 5.59762 5.54343 10.7474 5.16015 9.86334 5.18166 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 20.7645 13.018 9.40559 10.3611 3.94537 9.3948 12.698 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 8.07365 14.1188 7.27724 20.7645 13.018 9.40559 9.96649 6.12605 9.74607 12.5563 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 7.90775 4.16047 9.03572 5.84349 4.33346 8.26838 8.57607 4.99174 8.27883 8.32734 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 7.90775 4.16047 9.03572 5.84349 4.33346 8.26838 6.1991 4.46005 5.75428 4.79063 numMergedOcc 0
14 mol 95 unq 4 iso 0 dist 7.90775 4.16047 9.03572 5.84349 4.33346 8.26838 5.96246 8.28518 8.57395 4.05985 numMergedOcc 0
15 mol 95 unq 5 iso 0 dist 7.90775 4.16047 9.03572 5.84349 4.33346 8.26838 10.1197 15.917 9.85409 12.6917 numMergedOcc 0
16 mol 95 unq 6 iso 0 dist 6.86713 9.70895 8.03644 16.1256 11.8978 9.40559 16.0926 11.3215 9.3948 12.698 numMergedOcc 0
17 mol 95 unq 7 iso 0 dist 6.86713 9.70895 8.03644 16.1256 11.8978 9.40559 11.392 5.06946 9.74607 12.5563 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 7.5055 10.9541 8.22656 14.8428 9.71227 7.15203 10.7738 4.88025 8.26547 5.94578 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 5.79157 14.1608 9.71307 17.7351 12.4156 5.67862 14.4761 10.2026 9.33924 7.77359 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 5.79157 14.1608 9.71307 17.7351 12.4156 5.67862 8.8437 4.00092 7.93372 10.8891 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 10.4073 5.11989 7.5984 11.8017 13.1926 7.36975 14.6282 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 7.73769 7.36837 5.99315 10.4073 5.11989 7.5984 12.3347 7.39837 5.40637 7.11802 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 10.4296 5.90074 7.27481 11.0981 12.8595 6.74196 12.9462 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 7.88846 6.17038 7.54212 10.4296 5.90074 7.27481 14.5172 12.5866 8.36842 9.50604 numMergedOcc 0
25 mol 222 unq 2 iso 0 dist 7.88846 6.17038 7.54212 10.4296 5.90074 7.27481 15.5123 11.9567 9.75472 9.68195 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 8.95071 12.8358 6.27581 14.2393 10.2557 6.36941 14.8517 10.5774 9.3206 5.3331 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 10.7456 12.1502 9.27989 11.7834 10.6736 6.73665 3.28983 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 7.40475 7.63032 7.69895 11.8652 9.48478 6.44967 11.6204 4.58289 9.05018 9.33595 numMergedOcc 0
