0 mol 24 unq 0 iso 0 dist 6.44893 5.42968 4.21283 4.30555 9.65174 8.25818 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.2612 8.27488 14.8703 5.01774 9.41425 8.28202 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.72742 9.66932 4.06864 9.39237 6.29842 6.38866 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.94459 7.51631 13.0221 8.24064 10.4266 7.7485 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 6.90574 9.83758 4.26808 11.2375 4.72339 4.91212 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 6.90574 9.83758 4.26808 6.87591 7.21505 9.34782 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.05365 6.36631 13.4717 5.86518 12.2896 5.31126 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 9.05365 6.36631 13.4717 4.8668 13.8198 4.49669 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 9.05365 6.36631 13.4717 8.60367 17.5024 6.00221 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 9.05365 6.24308 12.1644 5.86518 12.2896 7.16619 numMergedOcc 0
10 mol 113 unq 4 iso 0 dist 9.05365 6.24308 12.1644 4.8668 13.8198 5.88896 numMergedOcc 0
11 mol 128 unq 0 iso 0 dist 9.23513 7.12662 7.698 9.10228 14.516 7.76123 numMergedOcc 0
12 mol 128 unq 1 iso 0 dist 9.23513 9.38 12.5502 9.10228 14.516 6.08651 numMergedOcc 0
13 mol 128 unq 2 iso 0 dist 7.03633 4.26814 4.21194 5.74684 7.12765 7.76123 numMergedOcc 0
14 mol 128 unq 3 iso 0 dist 7.03633 4.26814 4.21194 5.15271 6.28471 6.08651 numMergedOcc 0
15 mol 128 unq 4 iso 0 dist 7.90691 7.66528 4.21194 10.2523 7.12765 7.76123 numMergedOcc 0
16 mol 128 unq 5 iso 0 dist 7.90691 7.66528 4.21194 5.43682 6.28471 6.08651 numMergedOcc 0
17 mol 128 unq 6 iso 0 dist 8.83011 7.66528 9.46982 10.2523 12.4578 7.76123 numMergedOcc 0
18 mol 128 unq 7 iso 0 dist 8.83011 7.66528 9.46982 5.43682 10.4219 6.08651 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 5.33789 5.84588 5.45278 5.73959 5.20846 7.38825 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 8.65572 8.42431 15.8594 11.9686 20.3053 6.80296 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 8.39332 8.42431 13.0074 11.9686 16.5026 6.80296 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 8.2776 5.33881 4.05076 12.1108 11.0937 8.62655 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 8.88027 9.73306 11.7851 12.2582 13.2542 7.90368 numMergedOcc 0
24 mol 281 unq 1 iso 0 dist 6.42743 7.8046 11.7851 7.60311 13.2542 7.90368 numMergedOcc 0
