0 mol 68 unq 0 iso 0 dist 5.9651 7.51631 10.9724 8.24064 13.7382 7.7485 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.43143 9.85325 4.7874 10.2533 4.86198 6.79423 numMergedOcc 0
2 mol 111 unq 0 iso 0 dist 6.34542 9.83758 6.34994 11.2375 9.06601 4.91212 numMergedOcc 0
3 mol 111 unq 1 iso 0 dist 6.34542 9.83758 6.34994 6.87591 5.98809 9.34782 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 7.2443 6.36631 6.54263 5.86518 9.6716 5.31126 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 7.2443 6.36631 6.54263 4.8668 8.99912 4.49669 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 7.2443 6.36631 6.54263 8.60367 11.4818 6.00221 numMergedOcc 0
7 mol 113 unq 3 iso 0 dist 7.2443 6.24308 3.92558 5.86518 9.6716 7.16619 numMergedOcc 0
8 mol 113 unq 4 iso 0 dist 7.2443 6.24308 3.92558 4.8668 8.99912 5.88896 numMergedOcc 0
9 mol 113 unq 5 iso 0 dist 9.70016 7.25771 5.46207 6.90365 10.1945 9.14336 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.43116 9.82655 12.6623 10.5817 13.9164 5.86379 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 8.43116 9.82655 12.6623 13.8778 17.4534 8.64686 numMergedOcc 0
12 mol 115 unq 2 iso 0 dist 6.23645 9.82655 6.34182 10.5817 9.28256 5.86379 numMergedOcc 0
13 mol 115 unq 3 iso 0 dist 6.23645 9.82655 6.34182 13.8778 12.9131 8.64686 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 5.06555 8.0889 5.61274 8.14689 6.42623 7.84207 numMergedOcc 0
15 mol 120 unq 1 iso 0 dist 5.06555 8.0889 5.61274 5.74365 8.95899 8.56947 numMergedOcc 0
16 mol 128 unq 0 iso 0 dist 8.3127 4.26814 4.48309 5.74684 10.6551 7.76123 numMergedOcc 0
17 mol 128 unq 1 iso 0 dist 8.3127 4.26814 4.48309 5.15271 9.9416 6.08651 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 6.28961 7.07933 5.38859 12.9917 9.37946 6.96715 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 8.82778 9.0495 4.61469 10.7268 4.43499 6.09626 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 6.95233 7.96613 14.5358 6.80038 12.0003 7.8598 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 6.95233 7.96613 14.5358 4.5731 9.29666 7.80711 numMergedOcc 0
22 mol 266 unq 2 iso 0 dist 9.61741 7.96613 13.7682 6.80038 12.2565 7.8598 numMergedOcc 0
23 mol 266 unq 3 iso 0 dist 9.61741 7.96613 13.7682 4.5731 12.1684 7.80711 numMergedOcc 0
24 mol 266 unq 4 iso 0 dist 5.61056 7.96613 11.879 6.80038 11.7178 7.8598 numMergedOcc 0
25 mol 266 unq 5 iso 0 dist 5.61056 7.96613 11.879 4.5731 9.96191 7.80711 numMergedOcc 0
26 mol 281 unq 0 iso 0 dist 9.27716 7.8046 12.8596 7.60311 5.50053 7.90368 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 6.44657 5.93983 8.33646 8.32005 13.3277 5.88958 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 6.44657 5.93983 8.33646 7.07384 13.1368 7.78121 numMergedOcc 0
