0 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 5.3571 7.71617 9.78134 6.69806 12.5461 8.53135 11.2036 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 5.92936 7.48556 4.97519 8.57639 7.75341 12.4774 15.0455 12.6772 8.08507 20.009 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 5.69691 8.5069 10.2474 10.2556 13.6767 9.26231 15.819 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 6.55381 8.48639 12.0429 6.3566 8.6308 7.94379 8.53951 numMergedOcc 0
4 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 8.39434 9.95076 12.4652 8.59214 14.4576 7.08934 16.3036 numMergedOcc 0
5 mol 162 unq 1 iso 0 dist 8.954 6.59407 7.84996 8.39434 9.95076 12.4652 7.46189 15.2359 9.43135 13.0223 numMergedOcc 0
6 mol 162 unq 2 iso 0 dist 8.954 6.59407 7.84996 4.92282 7.76112 9.44259 8.59214 14.4576 7.08934 13.2335 numMergedOcc 0
7 mol 162 unq 3 iso 0 dist 8.954 6.59407 7.84996 4.92282 7.76112 9.44259 7.46189 15.2359 9.43135 10.9749 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 7.30965 6.2016 5.21255 12.8803 7.578 11.2233 6.16078 7.72242 5.83093 10.2336 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 6.41444 8.05949 7.48216 4.78349 9.11574 12.7666 11.5037 12.9027 8.50367 15.5968 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 6.41444 8.05949 7.48216 4.78349 9.11574 12.7666 15.7959 16.0853 8.94889 20.5227 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 7.47274 7.27248 12.2711 8.17619 15.6379 9.57625 13.1725 numMergedOcc 0
12 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 7.47274 7.27248 13.0124 7.36665 10.181 9.984 4.55332 numMergedOcc 0
13 mol 220 unq 2 iso 0 dist 7.57712 8.6368 13.4455 7.47274 7.27248 13.0124 8.17619 15.6379 8.08702 13.1725 numMergedOcc 0
14 mol 220 unq 3 iso 0 dist 7.20255 5.25149 9.96224 7.47274 9.50216 12.2711 8.17619 13.5453 9.57625 13.1725 numMergedOcc 0
15 mol 220 unq 4 iso 0 dist 7.20255 8.6368 8.70221 7.47274 9.50216 13.0124 7.36665 9.74776 9.984 4.55332 numMergedOcc 0
16 mol 220 unq 5 iso 0 dist 7.20255 8.6368 8.70221 7.47274 9.50216 13.0124 8.17619 13.5453 8.08702 13.1725 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 7.80764 6.97426 12.6805 8.1388 8.85178 14.6463 4.68566 11.3699 7.96628 11.0006 numMergedOcc 0
18 mol 223 unq 1 iso 0 dist 7.80764 6.97426 12.6805 14.288 9.73123 20.1763 4.68566 11.3699 7.96628 15.2784 numMergedOcc 0
19 mol 223 unq 2 iso 0 dist 7.80764 8.87456 13.9763 8.1388 8.85178 17.0039 4.68566 11.3699 7.76053 11.0006 numMergedOcc 0
20 mol 223 unq 3 iso 0 dist 7.80764 8.87456 13.9763 8.1388 8.85178 17.0039 11.1044 14.6013 9.65728 16.7218 numMergedOcc 0
21 mol 223 unq 4 iso 0 dist 7.80764 8.87456 13.9763 14.288 9.73123 19.7672 4.68566 11.3699 7.76053 15.2784 numMergedOcc 0
22 mol 223 unq 5 iso 0 dist 7.80764 8.87456 13.9763 14.288 9.73123 19.7672 11.1044 14.6013 9.65728 14.9262 numMergedOcc 0
23 mol 223 unq 6 iso 0 dist 5.75896 6.97426 10.6184 8.1388 5.50267 14.6463 4.68566 10.1945 7.96628 11.0006 numMergedOcc 0
24 mol 223 unq 7 iso 0 dist 5.75896 8.87456 13.8469 8.1388 5.50267 17.0039 4.68566 10.1945 7.76053 11.0006 numMergedOcc 0
25 mol 223 unq 8 iso 0 dist 5.75896 8.87456 13.8469 8.1388 5.50267 17.0039 11.1044 16.5446 9.65728 16.7218 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 8.71944 8.82663 5.45067 4.22586 9.65116 7.92513 11.6942 12.0757 7.35677 10.7796 numMergedOcc 0
27 mol 244 unq 0 iso 0 dist 6.51428 7.79787 13.4155 11.8733 8.42464 19.6201 8.64762 13.0526 6.2667 19.5419 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 6.46469 9.1515 8.56493 6.13333 6.04688 5.70674 6.46947 numMergedOcc 0
