0 mol 18 unq 0 iso 0 dist 8.46905 5.38056 8.02753 11.6367 8.11835 7.76823 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 9.2795 13.2245 8.91596 4.36156 8.78511 10.7345 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 8.9353 6.84912 8.41542 5.06043 5.70939 4.59725 numMergedOcc 0
3 mol 36 unq 1 iso 0 dist 5.58536 9.88171 8.41542 9.20423 5.70939 4.59725 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.87345 10.3209 6.87434 3.50778 5.92828 6.95317 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 7.87345 10.3209 6.87434 9.07396 9.1247 7.57713 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.11123 6.96368 4.80684 9.88691 4.55071 6.30721 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 9.11123 6.46673 7.60162 9.88691 4.55071 10.5082 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 8.93999 11.8842 8.38358 6.29677 9.98772 7.64591 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 7.99127 14.0766 8.64905 9.42107 6.60366 7.39837 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 6.24232 7.12687 7.48734 4.562 7.0961 4.67135 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 6.24232 7.12687 7.48734 14.2661 8.21227 13.2594 numMergedOcc 0
12 mol 168 unq 2 iso 0 dist 6.24232 7.12687 7.48734 9.56342 6.53038 11.6594 numMergedOcc 0
13 mol 168 unq 3 iso 0 dist 6.24232 8.76803 5.6125 4.562 7.0961 9.87321 numMergedOcc 0
14 mol 168 unq 4 iso 0 dist 6.24232 8.76803 5.6125 14.2661 8.21227 10.7557 numMergedOcc 0
15 mol 168 unq 5 iso 0 dist 6.24232 8.76803 5.6125 9.56342 6.53038 5.16335 numMergedOcc 0
16 mol 168 unq 6 iso 0 dist 8.1953 15.441 7.48734 14.7953 7.0961 4.67135 numMergedOcc 0
17 mol 168 unq 7 iso 0 dist 8.1953 15.441 7.48734 9.96378 8.21227 13.2594 numMergedOcc 0
18 mol 168 unq 8 iso 0 dist 8.1953 15.441 7.48734 6.11883 6.53038 11.6594 numMergedOcc 0
19 mol 168 unq 9 iso 0 dist 8.1953 10.1921 5.6125 14.7953 7.0961 9.87321 numMergedOcc 0
20 mol 168 unq 10 iso 0 dist 8.1953 10.1921 5.6125 9.96378 8.21227 10.7557 numMergedOcc 0
21 mol 168 unq 11 iso 0 dist 8.1953 10.1921 5.6125 6.11883 6.53038 5.16335 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 7.93815 11.0897 9.65093 14.5127 9.4366 11.6282 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 9.06347 13.8911 9.52922 13.4593 4.45769 10.0756 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 9.06347 13.8911 9.52922 16.6224 8.99961 16.4082 numMergedOcc 0
25 mol 198 unq 0 iso 0 dist 9.50184 8.85128 9.7657 5.8901 7.04521 12.1607 numMergedOcc 0
26 mol 198 unq 1 iso 0 dist 6.49746 15.4671 9.7657 5.9839 7.04521 12.1607 numMergedOcc 0
27 mol 198 unq 2 iso 0 dist 9.70373 15.0288 9.7657 12.5506 7.04521 12.1607 numMergedOcc 0
28 mol 198 unq 3 iso 0 dist 9.76877 9.3872 9.7657 10.8876 7.04521 12.1607 numMergedOcc 0
29 mol 253 unq 0 iso 0 dist 9.2549 9.58656 8.94786 5.41773 9.454 10.1605 numMergedOcc 0
30 mol 278 unq 0 iso 0 dist 9.24462 9.61803 5.35705 5.48402 7.56691 10.0918 numMergedOcc 0
31 mol 278 unq 1 iso 0 dist 9.24462 7.87608 6.64378 5.48402 7.56691 6.48173 numMergedOcc 0
32 mol 278 unq 2 iso 0 dist 6.01365 5.81569 5.35705 10.2033 7.56691 10.0918 numMergedOcc 0
33 mol 278 unq 3 iso 0 dist 6.01365 5.53924 6.64378 10.2033 7.56691 6.48173 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 8.26365 9.32514 9.96374 10.2114 9.21469 17.5073 numMergedOcc 0
