0 mol 25 unq 0 iso 0 dist 7.0928 11.7801 8.87757 11.7941 7.05196 3.904 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 5.09688 6.29383 7.38135 10.9005 7.82475 7.55779 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 5.09688 6.29383 7.38135 9.06539 5.35782 8.00947 numMergedOcc 0
3 mol 100 unq 2 iso 0 dist 9.26343 10.728 7.38135 16.0043 7.82475 7.55779 numMergedOcc 0
4 mol 100 unq 3 iso 0 dist 9.26343 10.728 7.38135 14.1132 5.35782 8.00947 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.59784 8.66162 6.52773 13.4766 7.64052 5.37917 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 8.59784 6.71925 9.23858 13.4766 7.64052 15.7711 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 5.09114 9.32745 8.88537 6.11558 6.00603 6.29388 numMergedOcc 0
8 mol 122 unq 1 iso 0 dist 5.09114 10.5529 9.23819 6.11558 6.00603 9.83972 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 8.14071 9.81728 9.36851 5.22333 5.58833 9.30433 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 8.14071 6.95825 4.97175 5.22333 5.58833 4.28744 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.72463 16.1752 7.78652 7.21648 7.36975 12.207 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 8.72463 16.1752 7.78652 9.42107 5.40637 10.0079 numMergedOcc 0
13 mol 143 unq 2 iso 0 dist 8.72463 17.1567 8.91301 7.21648 7.36975 14.7271 numMergedOcc 0
14 mol 143 unq 3 iso 0 dist 8.72463 17.1567 8.91301 9.42107 5.40637 9.05366 numMergedOcc 0
15 mol 159 unq 0 iso 0 dist 7.78695 9.00075 9.17787 4.14252 9.36259 7.91903 numMergedOcc 0
16 mol 159 unq 1 iso 0 dist 7.78695 11.6088 8.4858 4.14252 9.36259 9.65034 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 6.64164 10.2539 9.67741 5.02648 7.20495 5.43662 numMergedOcc 0
18 mol 167 unq 1 iso 0 dist 6.64164 10.2539 9.67741 12.0503 9.2289 8.91275 numMergedOcc 0
19 mol 167 unq 2 iso 0 dist 6.64164 10.2539 9.67741 10.1276 7.02548 5.95858 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 6.60477 5.44019 7.44629 6.54174 6.02086 4.02702 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 7.92766 15.254 9.68728 6.6094 7.9133 14.0756 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 6.32652 7.65133 9.1458 6.5797 5.94972 4.15888 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 7.36642 10.098 6.03688 8.66359 6.52816 5.28417 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 6.82185 10.6201 7.37798 10.1106 8.21793 8.75651 numMergedOcc 0
25 mol 213 unq 1 iso 0 dist 6.82185 5.50169 7.73322 10.1106 8.21793 8.99471 numMergedOcc 0
26 mol 213 unq 2 iso 0 dist 6.82881 5.50169 8.14332 5.6182 8.22569 6.60887 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 7.13194 10.0472 9.24557 13.1414 9.72188 17.1065 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 7.80166 13.6806 9.24557 6.10342 9.72188 17.1065 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 6.49599 10.451 7.98231 9.41512 9.46361 4.10176 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 9.47382 10.451 7.08526 11.8307 5.85442 4.47425 numMergedOcc 0
31 mol 259 unq 2 iso 0 dist 9.47382 10.451 7.08526 9.41512 6.95511 4.10176 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 7.18433 11.2038 6.78191 5.775 5.83329 8.8835 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 6.8133 7.95758 7.83341 11.4338 9.9182 13.4805 numMergedOcc 0
34 mol 292 unq 1 iso 0 dist 6.8133 7.95758 7.83341 12.3949 8.9221 8.14131 numMergedOcc 0
35 mol 292 unq 2 iso 0 dist 5.69465 11.7781 7.07965 4.54051 7.20674 13.8094 numMergedOcc 0
36 mol 292 unq 3 iso 0 dist 5.69465 11.7781 7.07965 5.92893 8.38121 13.8468 numMergedOcc 0
