0 mol 58 unq 0 iso 0 dist 9.56737 13.6875 7.17488 11.799 5.49591 6.41008 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.0614 8.33013 5.25027 12.9306 7.23157 6.2576 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 8.0614 8.33013 5.25027 16.8282 12.5946 8.96069 numMergedOcc 0
3 mol 79 unq 2 iso 0 dist 8.0614 8.33013 5.25027 15.5412 9.69296 7.56495 numMergedOcc 0
4 mol 79 unq 3 iso 0 dist 8.0614 9.53139 4.37025 14.1519 6.54837 5.79139 numMergedOcc 0
5 mol 79 unq 4 iso 0 dist 8.0614 9.53139 4.37025 15.5412 9.69296 7.63923 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 9.01767 8.94532 5.54256 12.9233 4.48396 6.07633 numMergedOcc 0
7 mol 102 unq 1 iso 0 dist 9.80678 6.94341 5.54256 11.9963 4.48396 6.07633 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.93703 8.99475 7.60162 6.13508 7.45148 6.21165 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 9.91381 3.75669 8.57739 11.2585 8.8365 8.65859 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 8.54461 4.81304 8.81797 5.05277 6.66056 8.00013 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 7.83619 4.81304 5.92733 5.05277 7.11959 8.00013 numMergedOcc 0
12 mol 130 unq 2 iso 0 dist 9.91643 11.0219 5.92733 16.5418 7.11959 8.00013 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 9.12599 7.15505 6.09063 11.082 5.18913 5.13405 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 9.18866 6.99467 6.73617 5.08863 8.93262 9.59327 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 9.18866 4.53687 9.03544 5.08863 8.93262 8.51399 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 9.82249 3.57652 7.93088 8.62413 4.20425 5.67088 numMergedOcc 0
17 mol 162 unq 1 iso 0 dist 9.82249 3.57652 7.93088 12.1623 6.45822 9.61332 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.57611 9.57126 9.32259 13.2069 11.6798 4.51777 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 9.57611 9.57126 9.32259 11.4305 7.68909 4.9606 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 8.68464 3.79439 8.60731 6.67239 14.3553 9.89191 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 5.81927 9.93118 5.4557 11.9529 6.93678 7.08328 numMergedOcc 0
