0 mol 34 unq 0 iso 0 dist 5.39587 6.47252 11.6209 5.42572 5.91068 10.7867 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 7.84956 8.57607 10.3056 6.33328 9.84457 12.5791 numMergedOcc 0
2 mol 95 unq 1 iso 0 dist 7.84956 6.1991 9.77913 6.33328 9.84457 12.3629 numMergedOcc 0
3 mol 95 unq 2 iso 0 dist 7.84956 5.96246 7.51315 6.33328 9.84457 10.8228 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.91797 6.37954 6.70343 4.34749 4.44979 6.61111 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 6.37954 5.91797 6.70343 4.34749 6.61111 4.44979 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.32009 8.8639 3.62051 5.97803 6.84165 9.95963 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 7.76446 6.14652 5.83782 5.2893 6.44575 7.43401 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 6.14652 7.76446 5.83782 5.2893 7.43401 6.44575 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 8.46046 7.48065 7.19559 5.5203 8.62366 6.52508 numMergedOcc 0
10 mol 173 unq 1 iso 0 dist 7.48065 8.46046 7.19559 5.5203 6.52508 8.62366 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.95209 9.16579 9.58899 9.48246 7.25339 15.26 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 6.51936 7.59666 6.1208 13.7382 8.66162 13.9573 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 8.28155 9.41353 6.12994 12.0155 9.59084 13.4204 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 5.78671 6.56525 6.68192 6.66782 9.33476 13.0599 numMergedOcc 0
15 mol 243 unq 1 iso 0 dist 5.78671 5.46817 4.09189 6.66782 9.33476 9.57085 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 7.64703 9.61255 13.5848 11.6682 6.66172 12.703 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 9.88198 9.88022 19.0111 7.61567 8.92667 15.4021 numMergedOcc 0
18 mol 279 unq 1 iso 0 dist 9.88198 9.88022 19.0111 7.9872 6.0283 17.8289 numMergedOcc 0
19 mol 279 unq 2 iso 0 dist 9.88198 7.26637 13.095 7.61567 8.92667 14.1861 numMergedOcc 0
20 mol 279 unq 3 iso 0 dist 9.88198 7.26637 13.095 7.9872 6.0283 11.0415 numMergedOcc 0
