0 mol 25 unq 0 iso 0 dist 7.0928 6.32132 5.04899 11.7801 8.87757 5.77929 11.7941 7.05196 6.47509 3.904 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 6.29383 7.38135 7.11701 10.9005 7.82475 5.43561 7.55779 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 5.09688 9.65979 6.45675 6.29383 7.38135 7.11701 9.06539 5.35782 6.30222 8.00947 numMergedOcc 0
3 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 6.29383 7.38135 11.2312 10.9005 7.82475 5.9143 7.55779 numMergedOcc 0
4 mol 100 unq 3 iso 0 dist 5.09688 12.2879 7.47343 6.29383 7.38135 11.2312 9.06539 5.35782 5.47563 8.00947 numMergedOcc 0
5 mol 100 unq 4 iso 0 dist 5.09688 10.2364 8.86688 6.29383 7.38135 7.79768 10.9005 7.82475 5.25234 7.55779 numMergedOcc 0
6 mol 100 unq 5 iso 0 dist 5.09688 10.2364 8.86688 6.29383 7.38135 7.79768 9.06539 5.35782 5.03232 8.00947 numMergedOcc 0
7 mol 100 unq 6 iso 0 dist 9.26343 13.666 6.45675 10.728 7.38135 7.11701 16.0043 7.82475 5.43561 7.55779 numMergedOcc 0
8 mol 100 unq 7 iso 0 dist 9.26343 13.666 6.45675 10.728 7.38135 7.11701 14.1132 5.35782 6.30222 8.00947 numMergedOcc 0
9 mol 100 unq 8 iso 0 dist 9.26343 16.4386 7.47343 10.728 7.38135 11.2312 16.0043 7.82475 5.9143 7.55779 numMergedOcc 0
10 mol 100 unq 9 iso 0 dist 9.26343 16.4386 7.47343 10.728 7.38135 11.2312 14.1132 5.35782 5.47563 8.00947 numMergedOcc 0
11 mol 100 unq 10 iso 0 dist 9.26343 15.5646 8.86688 10.728 7.38135 7.79768 16.0043 7.82475 5.25234 7.55779 numMergedOcc 0
12 mol 100 unq 11 iso 0 dist 9.26343 15.5646 8.86688 10.728 7.38135 7.79768 14.1132 5.35782 5.03232 8.00947 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 8.66162 6.52773 7.20179 13.4766 7.64052 9.68677 5.37917 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.59784 9.70986 8.73993 6.71925 9.23858 9.89358 13.4766 7.64052 9.68677 15.7711 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 5.09114 6.01457 8.37808 9.32745 8.88537 5.0355 6.11558 6.00603 6.15636 6.29388 numMergedOcc 0
16 mol 122 unq 1 iso 0 dist 5.09114 6.01457 8.37808 10.5529 9.23819 7.39059 6.11558 6.00603 6.15636 9.83972 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 9.81728 9.36851 10.7293 5.22333 5.58833 9.00231 9.30433 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 8.14071 13.1328 5.83384 6.95825 4.97175 7.29399 5.22333 5.58833 9.00231 4.28744 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 8.72463 14.0766 5.99315 16.1752 7.78652 6.48978 7.21648 7.36975 13.1926 12.207 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 8.72463 14.0766 5.99315 16.1752 7.78652 6.48978 9.42107 5.40637 7.39837 10.0079 numMergedOcc 0
21 mol 143 unq 2 iso 0 dist 8.72463 14.0766 5.99315 17.1567 8.91301 5.20762 7.21648 7.36975 13.1926 14.7271 numMergedOcc 0
22 mol 143 unq 3 iso 0 dist 8.72463 14.0766 5.99315 17.1567 8.91301 5.20762 9.42107 5.40637 7.39837 9.05366 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 6.64164 5.361 9.87651 10.2539 9.67741 13.0123 5.02648 7.20495 7.87971 5.43662 numMergedOcc 0
24 mol 167 unq 1 iso 0 dist 6.64164 5.361 9.87651 10.2539 9.67741 13.0123 12.0503 9.2289 12.0033 8.91275 numMergedOcc 0
25 mol 167 unq 2 iso 0 dist 6.64164 5.361 9.87651 10.2539 9.67741 13.0123 10.1276 7.02548 11.6011 5.95858 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 15.254 9.68728 7.67571 6.6094 7.9133 10.7169 14.0756 numMergedOcc 0
27 mol 204 unq 1 iso 0 dist 7.92766 7.58285 8.51516 15.254 9.68728 10.8573 6.6094 7.9133 5.57347 14.0756 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 10.098 6.03688 8.15057 8.66359 6.52816 9.49403 5.28417 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 10.098 6.03688 12.4957 8.66359 6.52816 13.514 5.28417 numMergedOcc 0
30 mol 205 unq 2 iso 0 dist 7.36642 6.98312 7.80463 10.098 6.03688 6.09749 8.66359 6.52816 3.56269 5.28417 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 10.0472 9.24557 14.7883 13.1414 9.72188 7.06793 17.1065 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 7.80166 6.77788 5.72887 13.6806 9.24557 14.7883 6.10342 9.72188 7.06793 17.1065 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 10.451 7.98231 8.41846 9.41512 9.46361 12.2293 4.10176 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 10.451 7.98231 8.81835 9.41512 9.46361 11.6988 4.10176 numMergedOcc 0
35 mol 259 unq 2 iso 0 dist 9.47382 13.8605 7.46176 10.451 7.08526 8.81835 11.8307 5.85442 10.067 4.47425 numMergedOcc 0
36 mol 259 unq 3 iso 0 dist 9.47382 13.8605 7.46176 10.451 7.08526 8.81835 9.41512 6.95511 11.6988 4.10176 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 5.69465 8.46956 8.2734 11.7781 7.07965 10.8848 4.54051 7.20674 7.8414 13.8094 numMergedOcc 0
38 mol 292 unq 1 iso 0 dist 5.69465 8.46956 8.2734 11.7781 7.07965 10.8848 5.92893 8.38121 14.179 13.8468 numMergedOcc 0
