0 mol 68 unq 0 iso 0 dist 8.04256 10.9344 7.51075 9.07668 7.96497 3.89794 numMergedOcc 0
1 mol 68 unq 0 iso 1 dist 7.51075 10.9344 8.04256 3.89794 7.96497 9.07668 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.06168 11.1443 8.67532 4.65267 7.13087 13.4661 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 8.67532 11.1443 8.06168 13.4661 7.13087 4.65267 numMergedOcc 0
4 mol 86 unq 0 iso 0 dist 8.88225 7.3718 9.49308 14.1743 7.79359 12.091 numMergedOcc 0
5 mol 86 unq 0 iso 1 dist 9.49308 7.3718 8.88225 12.091 7.79359 14.1743 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 9.72689 14.8895 7.74197 7.10144 8.66514 10.0278 numMergedOcc 0
7 mol 88 unq 0 iso 1 dist 7.74197 14.8895 9.72689 10.0278 8.66514 7.10144 numMergedOcc 0
8 mol 88 unq 1 iso 0 dist 9.72689 14.8895 7.74197 9.32959 9.25235 8.37153 numMergedOcc 0
9 mol 88 unq 1 iso 1 dist 7.74197 14.8895 9.72689 8.37153 9.25235 9.32959 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 9.44078 5.37245 5.9179 9.76996 8.39016 4.97513 numMergedOcc 0
11 mol 90 unq 0 iso 1 dist 5.9179 5.37245 9.44078 4.97513 8.39016 9.76996 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 4.98864 5.11161 7.95871 5.46352 6.99777 10.3995 numMergedOcc 0
13 mol 115 unq 0 iso 1 dist 7.95871 5.11161 4.98864 10.3995 6.99777 5.46352 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 4.98864 5.11161 7.95871 10.1017 9.14376 9.81323 numMergedOcc 0
15 mol 115 unq 1 iso 1 dist 7.95871 5.11161 4.98864 9.81323 9.14376 10.1017 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 9.92932 6.22325 9.55556 6.27009 8.79571 10.2625 numMergedOcc 0
17 mol 134 unq 0 iso 1 dist 9.55556 6.22325 9.92932 10.2625 8.79571 6.27009 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 9.51764 13.4632 5.36829 6.09245 6.97182 8.69149 numMergedOcc 0
19 mol 214 unq 0 iso 1 dist 5.36829 13.4632 9.51764 8.69149 6.97182 6.09245 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 9.51764 13.4632 5.36829 10.8345 6.1175 6.00706 numMergedOcc 0
21 mol 214 unq 1 iso 1 dist 5.36829 13.4632 9.51764 6.00706 6.1175 10.8345 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 7.46434 14.7028 7.50424 4.21173 6.16063 13.0543 numMergedOcc 0
23 mol 234 unq 0 iso 1 dist 7.50424 14.7028 7.46434 13.0543 6.16063 4.21173 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 9.11256 13.6805 7.08539 14.9183 9.58736 4.28284 numMergedOcc 0
25 mol 235 unq 0 iso 1 dist 7.08539 13.6805 9.11256 4.28284 9.58736 14.9183 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.66555 5.15729 8.67205 8.92175 7.49471 5.94371 numMergedOcc 0
27 mol 238 unq 0 iso 1 dist 8.67205 5.15729 9.66555 5.94371 7.49471 8.92175 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 6.37672 4.32316 8.94023 10.4294 8.83735 9.10124 numMergedOcc 0
29 mol 249 unq 0 iso 1 dist 8.94023 4.32316 6.37672 9.10124 8.83735 10.4294 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 5.89502 7.05365 7.15815 11.889 7.19465 8.75798 numMergedOcc 0
31 mol 253 unq 0 iso 1 dist 7.15815 7.05365 5.89502 8.75798 7.19465 11.889 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 9.6898 13.4368 5.75596 13.2729 9.454 6.58789 numMergedOcc 0
33 mol 292 unq 0 iso 1 dist 5.75596 13.4368 9.6898 6.58789 9.454 13.2729 numMergedOcc 0
