0 mol 7 unq 0 iso 0 dist 8.88982 9.49401 6.34041 14.92 8.72114 6.14469 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 9.14371 5.87364 8.96335 4.14436 6.09764 4.74809 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 9.14371 5.87364 8.96335 9.3714 9.20198 5.86181 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 7.88429 6.77108 6.71887 4.09637 10.4933 8.60289 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.13365 8.12171 6.66749 7.1011 7.33768 8.00171 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.13365 8.12171 6.66749 11.6096 12.2059 5.95834 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.13365 8.12171 6.66749 10.8208 9.01567 4.2121 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.13365 8.12171 6.66749 13.3998 7.29868 6.72323 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 6.13476 6.54052 4.29856 11.754 10.4031 9.17082 numMergedOcc 0
9 mol 55 unq 0 iso 0 dist 9.95691 9.3341 11.5992 14.1948 20.6257 9.93096 numMergedOcc 0
10 mol 65 unq 0 iso 0 dist 9.75927 6.99979 5.51708 4.37601 6.72639 5.94206 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 7.63534 9.2958 6.45686 14.0749 9.38371 8.95905 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 7.79726 6.9297 6.79583 12.6241 14.2829 9.78384 numMergedOcc 0
13 mol 91 unq 0 iso 0 dist 8.00525 4.86532 4.57085 5.75219 9.30539 8.66165 numMergedOcc 0
14 mol 91 unq 1 iso 0 dist 6.91417 5.45873 9.13283 11.1564 17.2202 8.66165 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 6.39794 5.05869 4.43377 4.18419 9.47412 6.11502 numMergedOcc 0
16 mol 125 unq 1 iso 0 dist 6.39794 5.05869 4.43377 7.15048 10.3985 6.33431 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.50454 5.87853 6.29863 6.15536 5.9176 7.22883 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 7.15963 5.87853 5.6044 6.15536 11.602 7.22883 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 6.43406 9.0234 7.77758 12.116 14.08 9.92471 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 4.97115 6.23981 4.54749 7.68725 6.70531 7.21349 numMergedOcc 0
21 mol 196 unq 1 iso 0 dist 4.97115 6.23981 4.54749 10.0025 12.1861 9.62455 numMergedOcc 0
22 mol 196 unq 2 iso 0 dist 6.40064 9.42877 8.50224 11.3347 13.9175 7.21349 numMergedOcc 0
23 mol 196 unq 3 iso 0 dist 9.45804 6.23981 14.6849 7.68725 13.0345 7.21349 numMergedOcc 0
24 mol 196 unq 4 iso 0 dist 9.45804 6.23981 14.6849 10.0025 18.3001 9.62455 numMergedOcc 0
25 mol 196 unq 5 iso 0 dist 9.8486 6.23981 16.0758 7.68725 14.856 7.21349 numMergedOcc 0
26 mol 196 unq 6 iso 0 dist 9.8486 6.23981 16.0758 10.0025 16.541 9.62455 numMergedOcc 0
27 mol 196 unq 7 iso 0 dist 7.23126 6.23981 10.645 7.68725 6.86319 7.21349 numMergedOcc 0
28 mol 196 unq 8 iso 0 dist 7.23126 6.23981 10.645 10.0025 14.7256 9.62455 numMergedOcc 0
29 mol 196 unq 9 iso 0 dist 7.82805 8.24718 10.645 9.74385 6.86319 7.21349 numMergedOcc 0
30 mol 196 unq 10 iso 0 dist 7.82805 8.24718 10.645 8.99329 14.7256 9.62455 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 6.51823 8.60978 7.95232 12.1252 8.67864 5.92374 numMergedOcc 0
32 mol 247 unq 0 iso 0 dist 8.14191 5.18532 5.81138 4.46 11.2388 8.45756 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 9.64889 9.7625 7.70529 4.44586 10.8214 8.20644 numMergedOcc 0
34 mol 280 unq 0 iso 0 dist 8.88567 7.18775 6.19336 10.9171 9.76787 6.73712 numMergedOcc 0
35 mol 280 unq 1 iso 0 dist 8.88567 7.18775 6.19336 4.26671 10.7346 9.35704 numMergedOcc 0
