0 mol 17 unq 0 iso 0 dist 9.16861 6.80314 14.9854 7.83348 16.3172 5.16502 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.16861 6.80314 14.9854 4.2802 12.0763 8.26398 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.72467 8.58962 5.48936 7.65753 9.56614 7.37118 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.78264 6.8073 4.70231 10.7407 12.6638 8.12997 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.78264 6.8073 4.70231 10.8995 10.8091 6.13153 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 6.78264 6.8073 4.70231 10.5685 7.02387 5.7836 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 6.78264 6.8073 4.70231 5.44298 9.22549 7.32996 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 6.78264 6.8073 4.70231 4.92775 8.92898 5.89173 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 6.78264 5.60663 6.75645 11.8742 14.6484 8.56365 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 6.78264 5.60663 6.75645 5.44298 9.22549 7.47783 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 6.78264 5.60663 6.75645 9.10301 14.0989 8.74151 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 6.78264 5.60663 6.75645 7.24268 12.7177 8.69662 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 8.80334 6.42242 12.8187 10.3657 17.0665 7.84895 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 8.80334 6.42242 12.8187 10.4457 16.5552 5.8541 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 8.80334 6.42242 12.8187 10.1874 12.4901 5.82264 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 8.80334 6.42242 12.8187 5.39197 8.44353 7.20729 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 8.80334 6.42242 12.8187 4.89976 12.0135 5.72703 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 8.45484 6.8073 12.7671 10.7407 17.1858 8.12997 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 8.45484 6.8073 12.7671 10.8995 16.7421 6.13153 numMergedOcc 0
19 mol 48 unq 16 iso 0 dist 8.45484 6.8073 12.7671 10.5685 12.7501 5.7836 numMergedOcc 0
20 mol 48 unq 17 iso 0 dist 8.45484 6.8073 12.7671 5.44298 8.53722 7.32996 numMergedOcc 0
21 mol 48 unq 18 iso 0 dist 8.45484 6.8073 12.7671 4.92775 11.9516 5.89173 numMergedOcc 0
22 mol 48 unq 19 iso 0 dist 8.45484 5.60663 4.40229 11.8742 4.53565 8.56365 numMergedOcc 0
23 mol 48 unq 20 iso 0 dist 8.45484 5.60663 4.40229 5.44298 8.53722 7.47783 numMergedOcc 0
24 mol 48 unq 21 iso 0 dist 8.45484 5.60663 4.40229 9.10301 6.15814 8.74151 numMergedOcc 0
25 mol 48 unq 22 iso 0 dist 8.45484 5.60663 4.40229 7.24268 7.70284 8.69662 numMergedOcc 0
26 mol 101 unq 0 iso 0 dist 7.43143 7.73086 7.83985 4.4529 8.35515 9.44645 numMergedOcc 0
27 mol 102 unq 0 iso 0 dist 6.793 9.2062 6.34242 6.04036 7.68537 6.07633 numMergedOcc 0
28 mol 116 unq 0 iso 0 dist 9.66069 7.92221 4.94926 8.53743 6.28029 8.58308 numMergedOcc 0
29 mol 147 unq 0 iso 0 dist 9.6818 9.77522 6.80406 9.03848 12.9545 9.59327 numMergedOcc 0
30 mol 147 unq 1 iso 0 dist 9.6818 9.77522 6.80406 5.58015 11.2486 8.51399 numMergedOcc 0
31 mol 158 unq 0 iso 0 dist 8.37022 8.07946 6.05893 5.34159 8.40257 7.20362 numMergedOcc 0
32 mol 217 unq 0 iso 0 dist 7.89936 7.63191 10.6304 9.311 14.8541 8.4493 numMergedOcc 0
33 mol 254 unq 0 iso 0 dist 8.5372 7.28781 6.6011 11.2466 6.12653 9.50951 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 5.45375 9.54381 6.99137 6.09382 9.50158 9.32971 numMergedOcc 0
35 mol 266 unq 1 iso 0 dist 9.9145 9.54381 11.2401 6.09382 15.0005 9.32971 numMergedOcc 0
