0 mol 10 unq 0 iso 0 dist 8.33546 7.82037 4.89243 9.59744 8.12738 4.71687 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.33546 7.82037 4.89243 8.37314 4.06691 3.77616 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.32779 8.95376 7.70921 9.74777 6.09311 12.3482 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.94728 8.52839 6.76125 5.11382 3.94196 6.79749 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.33902 8.52839 11.8773 5.11382 13.466 6.79749 numMergedOcc 0
5 mol 37 unq 0 iso 0 dist 8.28713 9.38923 4.61786 6.32052 6.96814 6.86666 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.52742 8.64047 14.8764 8.15861 7.14242 14.1233 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 7.52742 8.64047 14.8764 9.27814 15.6495 4.06365 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.93577 6.17315 11.4628 8.17454 10.526 4.67883 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 7.38568 7.63894 8.09188 6.02596 4.66066 4.67883 numMergedOcc 0
10 mol 90 unq 2 iso 0 dist 8.6767 6.17315 8.09188 8.17454 4.66066 4.67883 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 5.27541 7.46327 3.74136 5.96189 3.99275 5.99863 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 5.27541 8.21739 8.69953 8.61597 13.113 10.1484 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 5.27541 4.78377 8.48621 8.61597 13.113 10.2139 numMergedOcc 0
14 mol 104 unq 0 iso 0 dist 9.71834 6.07166 11.8718 9.58427 4.07581 9.76928 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 9.45085 6.20301 9.50627 6.40989 5.26338 9.65072 numMergedOcc 0
16 mol 111 unq 0 iso 0 dist 5.68841 8.28541 9.30538 8.51084 3.83194 12.2445 numMergedOcc 0
17 mol 111 unq 1 iso 0 dist 5.68841 8.28541 9.30538 5.53271 5.56913 3.75797 numMergedOcc 0
18 mol 111 unq 2 iso 0 dist 5.68841 5.61533 8.169 6.33923 7.42165 4.26808 numMergedOcc 0
19 mol 111 unq 3 iso 0 dist 5.68841 5.61533 8.169 9.9801 7.93667 10.1254 numMergedOcc 0
20 mol 124 unq 0 iso 0 dist 7.24083 9.11203 5.77455 9.01881 11.7364 9.45908 numMergedOcc 0
21 mol 124 unq 1 iso 0 dist 7.24083 5.49109 6.60073 9.01881 11.7364 10.8837 numMergedOcc 0
22 mol 178 unq 0 iso 0 dist 7.55683 8.56251 6.72936 6.3472 8.84201 8.56547 numMergedOcc 0
23 mol 182 unq 0 iso 0 dist 7.37431 6.78113 6.38456 8.54982 4.26532 7.2879 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 5.52744 9.67802 7.74227 7.00382 8.73397 8.54557 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 9.06541 7.44979 6.7132 8.09863 7.73968 8.42449 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 9.64578 5.6619 6.92708 7.45508 9.1722 9.78814 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 9.64578 5.6619 6.92708 5.79883 11.457 5.22417 numMergedOcc 0
28 mol 239 unq 2 iso 0 dist 7.02833 5.6619 5.1292 7.45508 11.2097 9.78814 numMergedOcc 0
29 mol 239 unq 3 iso 0 dist 7.02833 5.6619 5.1292 5.79883 6.10489 5.22417 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 5.06731 6.69569 9.46764 8.15636 6.00938 10.0855 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 5.06731 6.69569 9.46764 7.86292 4.88961 8.41058 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 5.06731 6.69569 9.46764 8.15636 6.00938 10.0855 numMergedOcc 0
33 mol 288 unq 1 iso 0 dist 5.06731 6.69569 9.46764 7.86292 4.88961 8.41058 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 5.06731 6.69569 9.46764 8.15636 6.00938 10.0855 numMergedOcc 0
35 mol 289 unq 1 iso 0 dist 5.06731 6.69569 9.46764 7.86292 4.88961 8.41058 numMergedOcc 0
