0 mol 7 unq 0 iso 0 dist 8.88982 10.5313 6.22805 6.10226 5.70161 8.0166 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.88982 10.5313 6.22805 5.80034 4.57188 9.32945 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.88982 10.5313 6.22805 9.83056 6.09254 9.90117 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 9.8294 13.2858 5.66319 19.2403 9.42379 8.43688 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 9.70612 10.6088 7.57586 7.98333 5.39129 5.86243 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 6.46781 5.39032 8.86547 7.98333 5.29179 7.55357 numMergedOcc 0
6 mol 38 unq 2 iso 0 dist 6.46781 5.39032 8.86547 9.81175 10.4994 5.86972 numMergedOcc 0
7 mol 41 unq 0 iso 0 dist 9.02927 12.9916 4.68793 16.9184 10.9806 8.28673 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.04163 7.90858 4.24428 11.3999 8.04817 5.39171 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.04163 7.90858 4.24428 12.0249 9.76331 9.27355 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.04163 7.90858 4.24428 11.2944 10.4402 8.60363 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 8.88953 7.82091 4.24428 12.6863 8.04817 5.39171 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 8.88953 7.82091 4.24428 16.1646 9.76331 9.27355 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 8.88953 7.82091 4.24428 14.2743 10.4402 8.60363 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 8.25679 4.95052 9.25163 12.125 8.44462 9.64551 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 9.21386 11.596 8.58946 20.2666 13.1346 9.82329 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.50454 18.3782 9.63295 13.9406 5.16386 6.47689 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 8.80581 7.11843 9.63295 9.02183 5.16386 6.47689 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 7.86668 12.3207 8.07523 8.14413 5.82028 6.24111 numMergedOcc 0
19 mol 210 unq 1 iso 0 dist 7.86668 12.3207 8.07523 12.3596 4.62641 8.60412 numMergedOcc 0
20 mol 210 unq 2 iso 0 dist 7.86668 12.2935 7.56882 8.14413 5.82028 9.00343 numMergedOcc 0
21 mol 210 unq 3 iso 0 dist 7.86668 12.2935 7.56882 12.3596 4.62641 7.05535 numMergedOcc 0
22 mol 212 unq 0 iso 0 dist 8.13678 14.0835 7.87125 17.5212 9.7586 9.26387 numMergedOcc 0
23 mol 217 unq 0 iso 0 dist 7.52229 10.9243 9.90668 9.62606 5.42652 6.01666 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 6.93717 9.8378 7.30244 15.792 10.48 7.35148 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 9.23844 9.07015 9.85951 12.9573 9.86723 7.57716 numMergedOcc 0
26 mol 220 unq 2 iso 0 dist 9.23844 9.07015 9.85951 8.98518 6.80494 8.98362 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 9.61379 7.33406 4.79841 11.3088 5.41021 7.62593 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 6.51823 5.98533 8.89538 10.9762 10.4952 6.74214 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 6.51823 5.98533 8.89538 6.86905 7.22173 5.33462 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 6.92721 4.95913 9.27989 7.76984 11.4465 8.34832 numMergedOcc 0
31 mol 241 unq 0 iso 0 dist 8.18588 6.5604 6.40592 12.8152 4.86437 9.174 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 9.86979 14.3804 8.07341 20.4914 11.4733 9.58767 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 5.31858 4.69752 8.81059 10.6825 13.8694 6.08181 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 5.31858 4.69752 8.81059 8.8726 9.22664 7.70189 numMergedOcc 0
35 mol 258 unq 2 iso 0 dist 5.71851 4.69752 9.12006 10.6825 14.0402 6.08181 numMergedOcc 0
36 mol 258 unq 3 iso 0 dist 5.71851 4.69752 9.12006 8.8726 13.0489 7.70189 numMergedOcc 0
37 mol 261 unq 0 iso 0 dist 6.68878 8.9397 9.43169 11.6871 8.80293 6.41477 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 7.63115 7.34826 5.17586 13.558 6.03718 8.57035 numMergedOcc 0
39 mol 280 unq 0 iso 0 dist 8.88567 11.5286 8.40961 15.619 8.10688 7.02503 numMergedOcc 0
40 mol 280 unq 1 iso 0 dist 8.88567 11.855 9.42213 15.619 8.10688 9.18164 numMergedOcc 0
41 mol 282 unq 0 iso 0 dist 7.34596 5.5267 6.84554 5.72197 4.58403 7.93511 numMergedOcc 0
42 mol 282 unq 1 iso 0 dist 7.12228 5.5267 9.51581 5.72197 5.04235 7.93511 numMergedOcc 0
