0 mol 8 unq 0 iso 0 dist 6.27477 8.76702 8.02605 6.1146 7.8922 13.7261 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 6.14934 8.04675 5.59383 6.30917 9.53458 9.16649 numMergedOcc 0
2 mol 42 unq 1 iso 0 dist 8.04675 6.14934 5.59383 6.30917 9.16649 9.53458 numMergedOcc 0
3 mol 42 unq 2 iso 0 dist 8.64833 9.82637 11.4997 12.2853 9.53458 18.6912 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 7.95122 9.74268 5.22626 7.98177 9.31969 6.54023 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 9.74268 7.95122 5.22626 7.98177 6.54023 9.31969 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 9.24996 8.37473 8.97208 6.05887 8.16733 12.5244 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 6.9538 9.36111 5.04987 6.51921 7.32289 11.2447 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 8.90536 9.00544 18.0041 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 5.69359 7.12017 10.8066 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 7.65229 7.63658 10.838 12.468 8.729 13.6135 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 5.87387 6.06543 5.59517 11.3694 6.34525 11.6441 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.38977 9.64856 7.50824 6.53994 8.86329 10.5099 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 6.38977 9.69757 5.55373 6.53994 8.86329 8.71039 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 9.69757 9.64856 11.0599 6.53994 8.71039 10.5099 numMergedOcc 0
15 mol 131 unq 3 iso 0 dist 9.69757 9.64856 11.0599 13.4383 6.92648 13.9687 numMergedOcc 0
16 mol 131 unq 4 iso 0 dist 9.69757 6.38977 5.55373 6.53994 8.71039 8.86329 numMergedOcc 0
17 mol 131 unq 5 iso 0 dist 9.69757 6.38977 5.55373 13.4383 6.92648 11.4206 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 4.93035 9.75558 6.21253 5.74529 6.69515 7.86572 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 9.75558 4.93035 6.21253 5.74529 7.86572 6.69515 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 7.38138 9.7168 8.05787 3.97123 7.97543 11.214 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 7.34423 9.61132 8.10457 3.98367 7.85526 11.0682 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.25528 6.96824 11.9017 6.09526 6.51749 11.6563 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 10.2224 6.85441 16.2661 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 6.18486 9.93154 9.51866 5.98086 5.87815 13.9889 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 6.18486 9.18218 4.48529 5.98086 5.87815 10.3595 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 7.2527 7.13194 10.0191 9.87539 6.66971 7.32982 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 7.13194 7.2527 10.0191 9.87539 7.32982 6.66971 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 9.29203 7.62771 5.40359 10.4401 6.66971 6.4398 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 9.29203 7.80166 10.0191 10.4401 6.66971 7.32982 numMergedOcc 0
30 mol 238 unq 4 iso 0 dist 7.62771 9.29203 5.40359 10.4401 6.4398 6.66971 numMergedOcc 0
31 mol 238 unq 5 iso 0 dist 7.62771 7.80166 10.1648 10.4401 6.4398 7.32982 numMergedOcc 0
32 mol 238 unq 6 iso 0 dist 7.80166 9.29203 10.0191 10.4401 7.32982 6.66971 numMergedOcc 0
33 mol 238 unq 7 iso 0 dist 7.80166 7.62771 10.1648 10.4401 7.32982 6.4398 numMergedOcc 0
34 mol 238 unq 8 iso 0 dist 9.2521 9.82174 14.0328 6.12311 5.64181 13.7544 numMergedOcc 0
35 mol 238 unq 9 iso 0 dist 9.2521 8.51359 6.85126 6.12311 5.64181 7.61393 numMergedOcc 0
36 mol 238 unq 10 iso 0 dist 8.51359 9.82174 15.8898 6.12311 7.61393 13.7544 numMergedOcc 0
37 mol 238 unq 11 iso 0 dist 8.51359 9.2521 6.85126 6.12311 7.61393 5.64181 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 9.47382 6.49599 6.96053 15.3317 8.55558 10.5803 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 9.47382 9.34738 7.64658 15.3317 8.55558 12.4037 numMergedOcc 0
40 mol 271 unq 0 iso 0 dist 9.04738 8.68046 9.81725 7.71466 9.29599 14.0073 numMergedOcc 0
41 mol 271 unq 1 iso 0 dist 9.04738 5.98336 10.2122 7.71466 9.29599 13.2034 numMergedOcc 0
42 mol 271 unq 2 iso 0 dist 9.04738 9.67453 16.9733 7.71466 9.29599 15.3691 numMergedOcc 0
43 mol 271 unq 3 iso 0 dist 5.98336 9.04738 10.2122 6.29514 9.63775 10.1725 numMergedOcc 0
44 mol 271 unq 4 iso 0 dist 5.98336 8.68046 6.8467 6.29514 9.63775 14.1193 numMergedOcc 0
45 mol 271 unq 5 iso 0 dist 5.98336 9.67453 10.5503 6.29514 9.63775 15.4122 numMergedOcc 0
46 mol 272 unq 0 iso 0 dist 7.66615 7.22438 5.40809 6.43352 9.19033 11.9971 numMergedOcc 0
