0 mol 34 unq 0 iso 0 dist 7.66913 5.39587 9.12176 6.47252 9.21138 11.6209 5.42572 12.6294 5.91068 10.7867 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 8.4204 7.84956 12.8132 8.57607 15.7954 10.3056 6.33328 12.0792 9.84457 12.5791 numMergedOcc 0
2 mol 95 unq 1 iso 0 dist 8.4204 7.84956 12.8132 6.1991 10.4348 9.77913 6.33328 12.0792 9.84457 12.3629 numMergedOcc 0
3 mol 95 unq 2 iso 0 dist 8.4204 7.84956 12.8132 5.96246 5.88327 7.51315 6.33328 12.0792 9.84457 10.8228 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.21813 5.91797 3.92737 6.37954 3.94967 6.70343 4.34749 6.0129 4.44979 6.61111 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.21813 6.37954 3.94967 5.91797 3.92737 6.70343 4.34749 6.0129 6.61111 4.44979 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 5.08086 7.32009 5.46083 8.8639 5.75739 3.62051 5.97803 6.87262 6.84165 9.95963 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 6.08299 7.76446 11.5269 6.14652 6.93712 5.83782 5.2893 8.55616 6.44575 7.43401 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 6.08299 6.14652 6.93712 7.76446 11.5269 5.83782 5.2893 8.55616 7.43401 6.44575 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 8.76228 8.46046 11.3761 7.48065 4.60149 7.19559 5.5203 6.64779 8.62366 6.52508 numMergedOcc 0
10 mol 173 unq 1 iso 0 dist 8.76228 7.48065 4.60149 8.46046 11.3761 7.19559 5.5203 6.64779 6.52508 8.62366 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.0685 8.95209 3.87082 9.16579 6.42554 9.58899 9.48246 8.97471 7.25339 15.26 numMergedOcc 0
12 mol 217 unq 0 iso 0 dist 5.88992 8.28155 9.98266 9.41353 11.304 6.12994 12.0155 16.4224 9.59084 13.4204 numMergedOcc 0
13 mol 243 unq 0 iso 0 dist 7.30188 5.78671 5.42682 6.56525 3.85188 6.68192 6.66782 12.9908 9.33476 13.0599 numMergedOcc 0
14 mol 243 unq 1 iso 0 dist 7.30188 5.78671 5.42682 5.46817 4.21383 4.09189 6.66782 12.9908 9.33476 9.57085 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 8.18864 7.64703 10.3776 9.61255 16.6645 13.5848 11.6682 15.0973 6.66172 12.703 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 5.02385 9.88198 9.85432 9.88022 11.7578 19.0111 7.61567 11.6848 8.92667 15.4021 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 5.02385 9.88198 9.85432 9.88022 11.7578 19.0111 7.9872 9.24367 6.0283 17.8289 numMergedOcc 0
18 mol 279 unq 2 iso 0 dist 5.02385 9.88198 9.85432 7.26637 4.05042 13.095 7.61567 11.6848 8.92667 14.1861 numMergedOcc 0
19 mol 279 unq 3 iso 0 dist 5.02385 9.88198 9.85432 7.26637 4.05042 13.095 7.9872 9.24367 6.0283 11.0415 numMergedOcc 0
