0 mol 62 unq 0 iso 0 dist 8.30291 6.0827 6.8858 5.4275 9.81276 4.46067 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.74289 6.82511 10.6721 3.97203 13.5465 7.7485 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.36475 5.61831 3.69293 5.5308 10.985 7.66068 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 7.36475 5.61831 3.69293 10.5881 12.8435 9.5043 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 7.36475 5.61831 3.69293 9.74852 10.6942 8.34132 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.14057 7.30934 10.6242 4.3421 11.3564 5.24346 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.34456 9.27028 5.37655 16.2029 9.59585 7.02358 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 9.80191 6.38269 6.54263 10.3017 9.6716 5.31126 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 9.80191 6.38269 6.54263 10.3632 8.99912 4.49669 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 9.80191 6.38269 6.54263 9.86085 11.4818 6.00221 numMergedOcc 0
10 mol 113 unq 4 iso 0 dist 9.80191 7.11196 3.92558 10.3017 9.6716 7.16619 numMergedOcc 0
11 mol 113 unq 5 iso 0 dist 9.80191 7.11196 3.92558 10.3632 8.99912 5.88896 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 6.97244 5.56913 4.46691 11.3762 7.78789 9.02015 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 9.41521 8.31527 5.61274 5.79975 6.42623 7.84207 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 9.41521 8.31527 5.61274 12.8646 8.95899 8.56947 numMergedOcc 0
15 mol 120 unq 2 iso 0 dist 9.41521 7.64841 3.35803 5.37018 10.2878 9.31385 numMergedOcc 0
16 mol 120 unq 3 iso 0 dist 9.41521 7.64841 3.35803 5.79975 6.42623 6.98791 numMergedOcc 0
17 mol 123 unq 0 iso 0 dist 7.89237 7.04627 7.75915 5.02162 12.534 8.78115 numMergedOcc 0
18 mol 123 unq 1 iso 0 dist 7.89237 7.04627 7.75915 8.90549 11.214 8.03692 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 9.03233 5.24882 10.9086 6.03327 14.0526 4.3855 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 7.53748 8.47439 4.07587 4.18108 5.6125 5.28353 numMergedOcc 0
21 mol 243 unq 0 iso 0 dist 8.19458 8.35328 15.2258 6.56644 14.4361 4.55853 numMergedOcc 0
22 mol 243 unq 1 iso 0 dist 9.45133 8.35328 13.9912 6.56644 14.2282 4.55853 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 6.86014 7.34927 7.75371 9.69757 4.9764 7.98956 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 6.86014 7.34927 7.75371 10.2113 6.36559 5.86185 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 6.86014 7.34927 7.75371 8.92993 11.5669 6.79748 numMergedOcc 0
26 mol 277 unq 3 iso 0 dist 5.97073 7.54315 7.75371 7.55695 4.9764 7.98956 numMergedOcc 0
27 mol 277 unq 4 iso 0 dist 5.97073 7.54315 7.75371 6.26644 6.36559 5.86185 numMergedOcc 0
28 mol 277 unq 5 iso 0 dist 5.97073 7.54315 7.75371 10.4453 11.5669 6.79748 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 6.07571 4.97488 7.22011 4.34603 4.49592 8.07775 numMergedOcc 0
