0 mol 34 unq 0 iso 0 dist 8.58962 7.65753 7.37118 6.72467 5.48936 9.56614 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.95325 5.93713 7.37118 12.5326 5.48936 9.56614 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.8073 10.5685 5.7836 6.78264 4.70231 7.02387 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.8073 10.5685 5.7836 10.5289 8.13678 4.74786 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.8073 5.44298 7.32996 8.45484 12.7671 8.53722 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.8073 4.92775 5.89173 6.78264 4.70231 8.92898 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 6.42242 10.1874 5.82264 10.3498 8.24402 4.53565 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 6.42242 5.39197 7.20729 8.80334 12.8187 8.44353 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 5.60663 11.8742 8.56365 8.45484 4.40229 4.53565 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 5.60663 5.44298 7.47783 8.45484 4.40229 8.53722 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 5.60663 9.10301 8.74151 8.45484 4.40229 6.15814 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 5.60663 7.24268 8.69662 8.45484 4.40229 7.70284 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 9.22889 4.08459 5.79139 10.9758 4.94373 7.08462 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 6.64915 8.65653 5.79139 8.97897 4.94373 7.08462 numMergedOcc 0
14 mol 101 unq 0 iso 0 dist 7.73086 4.4529 9.44645 7.43143 7.83985 8.35515 numMergedOcc 0
15 mol 102 unq 0 iso 0 dist 9.2062 6.04036 6.07633 6.793 6.34242 7.68537 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 7.92221 8.53743 8.58308 9.66069 4.94926 6.28029 numMergedOcc 0
17 mol 123 unq 0 iso 0 dist 9.52442 14.0666 7.30244 19.9352 12.1983 8.53618 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 9.77522 9.03848 9.59327 11.034 4.42975 9.23589 numMergedOcc 0
19 mol 147 unq 1 iso 0 dist 9.77522 5.58015 8.51399 11.034 4.42975 9.22196 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 8.07946 5.34159 7.20362 8.37022 6.05893 8.40257 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.23057 4.51847 6.81516 13.1944 10.5686 9.81165 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 6.23057 13.1148 9.17562 13.1944 10.5686 7.74029 numMergedOcc 0
23 mol 205 unq 2 iso 0 dist 5.63477 3.50159 5.59832 11.1093 11.9538 7.74029 numMergedOcc 0
24 mol 254 unq 0 iso 0 dist 7.28781 11.2466 9.50951 8.5372 6.6011 6.12653 numMergedOcc 0
25 mol 254 unq 1 iso 0 dist 7.00841 11.9928 9.50951 11.5241 6.6011 6.12653 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.54381 6.09382 9.32971 5.45375 6.99137 9.50158 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 9.73172 14.4747 8.1769 16.0481 11.3687 9.94661 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 7.14502 12.8415 9.01437 16.7083 11.177 6.25334 numMergedOcc 0
