0 mol 12 unq 0 iso 0 dist 7.68446 13.7296 8.15864 15.5616 8.27891 5.25583 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.11297 10.0366 8.68012 12.6053 4.8335 9.35574 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.6177 6.24063 8.16246 6.57773 6.39129 6.25196 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 9.6177 11.6553 9.48823 6.57773 6.39129 8.88159 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.5663 12.0987 5.66803 16.3938 7.26196 7.85826 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 9.93275 5.64101 9.86325 6.09124 7.90823 6.09318 numMergedOcc 0
6 mol 96 unq 0 iso 0 dist 9.51537 12.8263 8.9056 14.1159 6.04753 9.25941 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 7.95136 5.29804 7.66418 5.21308 6.01015 8.88177 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 5.8915 5.29804 8.078 5.21308 5.87263 8.88177 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 8.55572 5.69896 7.18976 13.5436 12.0208 8.45451 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 7.47105 11.193 9.2759 13.6798 15.392 8.61918 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 6.85063 5.38327 5.32865 10.5053 12.352 9.89646 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 6.85063 5.38327 5.32865 11.35 10.4422 9.9332 numMergedOcc 0
13 mol 187 unq 0 iso 0 dist 9.55621 9.61673 5.58167 15.6203 6.06679 9.383 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 8.01521 9.29575 6.38294 11.9832 4.50095 9.46859 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 9.0815 7.03455 6.52136 11.4018 5.06545 8.37024 numMergedOcc 0
16 mol 209 unq 0 iso 0 dist 8.67577 8.04189 9.79293 7.55818 4.91835 8.76212 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 5.46484 5.81446 7.74348 10.7065 8.73194 7.61854 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 8.80671 14.8289 7.74348 11.7213 8.73194 7.61854 numMergedOcc 0
19 mol 240 unq 0 iso 0 dist 7.84314 8.48707 7.19218 12.0863 7.11628 8.24704 numMergedOcc 0
20 mol 241 unq 0 iso 0 dist 7.16232 7.52886 7.26758 4.80928 6.5604 5.42605 numMergedOcc 0
