0 mol 26 unq 0 iso 0 dist 8.99751 3.30063 9.82851 9.44507 4.36675 9.11311 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.44507 3.30063 9.11311 8.99751 4.36675 9.82851 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.30674 6.79894 9.82851 9.93814 4.36675 9.11311 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.25567 10.8557 9.82851 9.63543 4.36675 9.11311 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 9.45566 12.2887 6.53981 12.3808 5.25016 9.14809 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.17655 8.65738 6.2576 6.47416 6.70789 8.96069 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 8.17655 8.65738 6.2576 11.8429 7.7277 7.56495 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 6.47416 8.65738 8.96069 8.17655 6.70789 6.2576 numMergedOcc 0
8 mol 79 unq 3 iso 0 dist 6.47416 8.65738 8.96069 11.8429 7.2005 7.56495 numMergedOcc 0
9 mol 79 unq 4 iso 0 dist 9.78129 7.3779 6.2576 10.7493 6.70789 8.96069 numMergedOcc 0
10 mol 79 unq 5 iso 0 dist 9.78129 7.3779 6.2576 13.6021 7.7277 7.56495 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 7.4518 14.6061 7.83506 9.82649 4.37353 5.56839 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 9.25249 4.48773 7.55367 13.8961 12.9547 9.90672 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 8.41411 3.78499 7.55367 13.1142 12.9547 9.90672 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 5.37302 7.1034 6.23759 9.09263 4.09459 7.40338 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 9.66068 3.74516 7.40338 8.03783 4.09459 6.23759 numMergedOcc 0
16 mol 113 unq 2 iso 0 dist 8.03783 3.74516 6.23759 9.66068 4.09459 7.40338 numMergedOcc 0
17 mol 113 unq 3 iso 0 dist 8.47541 9.72813 6.23759 10.1107 4.09459 7.40338 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 5.49198 3.78601 8.31198 8.7311 6.26901 9.81349 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.7311 3.78601 9.81349 5.49198 6.26901 8.31198 numMergedOcc 0
20 mol 146 unq 0 iso 0 dist 7.13378 4.74818 5.95148 10.3083 5.54669 6.73137 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 9.80819 13.1327 5.75959 11.0479 4.32771 9.17462 numMergedOcc 0
22 mol 148 unq 1 iso 0 dist 9.80819 13.1327 5.75959 13.8707 4.26306 6.6946 numMergedOcc 0
23 mol 148 unq 2 iso 0 dist 9.86714 3.68446 6.6946 11.6555 5.84014 9.17462 numMergedOcc 0
24 mol 148 unq 3 iso 0 dist 9.86714 3.68446 6.6946 8.95177 4.26306 5.75959 numMergedOcc 0
25 mol 150 unq 0 iso 0 dist 9.81665 13.0356 5.4798 11.1963 4.39943 9.01668 numMergedOcc 0
26 mol 150 unq 1 iso 0 dist 9.81665 13.0356 5.4798 13.8927 4.30207 6.32391 numMergedOcc 0
27 mol 150 unq 2 iso 0 dist 9.33412 3.56564 6.32391 11.4553 5.93611 9.01668 numMergedOcc 0
28 mol 150 unq 3 iso 0 dist 9.33412 3.56564 6.32391 8.60817 4.30207 5.4798 numMergedOcc 0
29 mol 169 unq 0 iso 0 dist 5.51388 7.16323 6.35799 9.43938 4.2485 7.85698 numMergedOcc 0
30 mol 169 unq 1 iso 0 dist 8.17917 3.69097 6.35799 10.1612 4.2485 7.85698 numMergedOcc 0
31 mol 169 unq 2 iso 0 dist 8.68909 10.1079 6.35799 10.6152 4.2485 7.85698 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 7.42278 3.47137 4.9606 7.98682 4.39517 4.51777 numMergedOcc 0
33 mol 188 unq 0 iso 0 dist 9.37017 11.2153 8.4784 10.8092 9.01338 8.34477 numMergedOcc 0
