0 mol 2 unq 0 iso 0 dist 8.66033 5.31104 9.74371 12.7276 6.3286 11.5183 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.54324 9.97841 9.74371 6.45938 6.3286 11.5183 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 4.52881 8.53077 8.23606 8.23748 8.96839 9.45345 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 8.07051 9.41878 7.11187 11.1671 6.03038 4.18245 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 8.07051 9.41878 7.11187 4.37197 9.21675 9.53861 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 8.07051 6.19687 6.60356 11.1671 6.03038 11.3097 numMergedOcc 0
6 mol 100 unq 3 iso 0 dist 8.07051 6.19687 6.60356 4.37197 9.21675 10.0584 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 9.7097 6.40933 8.15549 8.73811 7.17412 4.6147 numMergedOcc 0
8 mol 132 unq 1 iso 0 dist 9.7097 6.40933 8.15549 6.86351 5.69956 6.20797 numMergedOcc 0
9 mol 151 unq 0 iso 0 dist 8.20292 12.7974 8.40442 10.8114 9.63905 8.55089 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 8.7717 16.3096 8.2197 9.22805 8.74203 12.3719 numMergedOcc 0
11 mol 165 unq 1 iso 0 dist 8.7717 16.3096 8.2197 13.3492 6.78432 8.46989 numMergedOcc 0
12 mol 165 unq 2 iso 0 dist 8.10412 12.9431 8.2197 7.42664 8.74203 12.3719 numMergedOcc 0
13 mol 165 unq 3 iso 0 dist 8.10412 12.9431 8.2197 5.10615 6.78432 8.46989 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 7.01007 8.21784 8.6609 8.66364 6.24096 7.8384 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 5.16184 9.88308 8.94671 7.7168 9.72584 5.38392 numMergedOcc 0
16 mol 182 unq 1 iso 0 dist 8.54162 9.61093 8.94671 10.8463 9.72584 5.38392 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 9.10711 10.8277 9.68829 8.5826 9.83104 13.2974 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 9.10711 13.6126 7.75205 8.5826 9.83104 10.081 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 8.87835 7.45619 6.24111 16.8336 8.78286 10.6912 numMergedOcc 0
20 mol 210 unq 1 iso 0 dist 8.87835 4.70332 9.00343 16.8336 8.78286 15.1716 numMergedOcc 0
21 mol 210 unq 2 iso 0 dist 8.87835 8.57997 6.41444 16.8336 8.78286 11.533 numMergedOcc 0
22 mol 210 unq 3 iso 0 dist 9.54076 9.42733 6.24111 9.27683 8.78286 10.6912 numMergedOcc 0
23 mol 210 unq 4 iso 0 dist 9.54076 13.6553 9.00343 9.27683 8.78286 15.1716 numMergedOcc 0
24 mol 210 unq 5 iso 0 dist 9.54076 5.87078 6.41444 9.27683 8.78286 11.533 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 7.03223 4.36623 7.35148 4.87397 9.57951 3.96711 numMergedOcc 0
26 mol 244 unq 0 iso 0 dist 6.59726 9.27415 6.51428 6.21028 6.26442 7.92205 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 5.81003 7.5301 6.51449 5.23923 9.75866 11.3958 numMergedOcc 0
28 mol 282 unq 0 iso 0 dist 9.40138 5.64349 7.93511 11.3627 8.69145 6.54168 numMergedOcc 0
