0 mol 7 unq 0 iso 0 dist 9.14481 9.9698 8.41585 9.76007 13.5229 7.78327 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 8.55448 5.40479 4.61088 11.1465 7.28643 8.68293 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 8.55448 5.40479 4.61088 5.34687 9.68636 6.84216 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 8.62361 11.5456 7.34143 16.5798 9.53385 6.22221 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 5.59153 7.95615 8.95999 11.4475 9.65136 8.30217 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.11094 6.59988 5.08437 8.43668 8.29813 7.92856 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 7.21175 6.59988 6.48948 8.43668 13.2057 7.92856 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 6.70974 7.84178 5.86073 6.49185 5.37655 7.02367 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 6.70974 7.84178 5.86073 10.481 5.46207 9.30832 numMergedOcc 0
9 mol 113 unq 2 iso 0 dist 7.37883 7.56889 5.86073 10.1629 5.37655 7.02367 numMergedOcc 0
10 mol 113 unq 3 iso 0 dist 7.37883 7.56889 5.86073 8.41089 5.46207 9.30832 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 6.68587 8.16257 6.44653 11.5928 5.61274 7.53694 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 6.68587 8.16257 6.44653 9.78114 3.35803 8.38358 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 6.83313 4.97123 8.14887 9.62602 10.2024 5.39356 numMergedOcc 0
14 mol 127 unq 1 iso 0 dist 6.83313 4.97123 8.14887 10.8737 5.4328 9.92746 numMergedOcc 0
15 mol 127 unq 2 iso 0 dist 4.84594 4.97123 9.30299 9.62602 12.7606 5.39356 numMergedOcc 0
16 mol 127 unq 3 iso 0 dist 4.84594 4.97123 9.30299 10.8737 12.6193 9.92746 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 9.36119 8.13646 5.30224 12.309 5.96249 9.18798 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 9.36119 8.13646 5.30224 8.18859 5.97386 8.25897 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 5.93155 10.1923 8.45658 15.3052 11.4108 8.24356 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 7.144 6.7906 9.7748 4.68425 7.75371 5.69112 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 7.144 6.7906 9.7748 6.46232 11.3546 7.2091 numMergedOcc 0
