0 mol 24 unq 0 iso 0 dist 8.15652 8.23069 4.93188 8.92687 4.90592 5.11617 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.15652 8.23069 4.93188 5.12527 8.16324 10.8238 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.15652 8.59466 9.24958 8.92687 4.90592 13.2229 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.15652 8.59466 9.24958 5.12527 8.16324 6.7828 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.44893 9.67461 4.93188 6.2838 4.90592 5.11617 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.44893 9.67461 4.93188 11.8259 8.16324 10.8238 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 6.44893 14.0586 9.24958 6.2838 4.90592 13.2229 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 6.44893 14.0586 9.24958 11.8259 8.16324 6.7828 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 7.2612 5.2549 8.44506 11.5196 9.5053 10.9837 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 9.17137 12.602 5.88354 15.1795 6.62972 4.67519 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 9.17137 14.9745 7.89665 15.1795 6.62972 6.6076 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 9.17137 6.80307 5.39354 15.1795 6.62972 10.6513 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 9.17137 5.37332 5.74854 15.1795 6.62972 10.4027 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 9.17137 12.921 8.76566 15.1795 6.62972 12.3568 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 9.17137 10.4811 8.8368 15.1795 6.62972 14.5457 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 9.9387 10.4339 8.67766 9.58922 6.76575 7.20706 numMergedOcc 0
16 mol 109 unq 1 iso 0 dist 9.9387 4.91393 8.0831 9.58922 6.76575 5.35728 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 5.36473 9.04668 9.7918 8.30856 7.42482 7.12268 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 5.8367 11.9678 7.36779 12.2847 9.30061 7.1797 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 5.8367 13.0109 8.20836 12.2847 9.30061 4.57832 numMergedOcc 0
20 mol 188 unq 0 iso 0 dist 8.14959 11.4039 8.47347 7.3223 5.73306 6.43967 numMergedOcc 0
21 mol 188 unq 1 iso 0 dist 5.36962 6.184 8.47347 5.45328 5.73306 6.43967 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 8.93322 8.40781 8.20691 5.5741 8.57986 8.61276 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 9.88251 14.4147 8.44861 8.78075 9.17946 13.0658 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 9.88251 13.9684 5.60393 8.78075 9.17946 14.4523 numMergedOcc 0
25 mol 209 unq 0 iso 0 dist 6.43914 5.35615 8.41195 9.57857 7.97418 6.552 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 8.84133 12.0174 5.45036 7.03806 5.37796 7.11498 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 8.81001 9.89208 5.45036 4.69654 5.37796 7.11498 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 8.74485 6.80725 8.67805 5.29882 5.0804 5.05321 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 9.45457 9.00146 6.86945 5.46761 7.39391 6.35641 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 5.67349 4.63237 5.26434 11.6921 8.61563 7.39176 numMergedOcc 0
31 mol 261 unq 1 iso 0 dist 5.67349 6.39263 8.60026 11.6921 8.61563 12.8544 numMergedOcc 0
