0 mol 44 unq 0 iso 0 dist 4.52881 7.16036 6.07691 9.5746 7.42925 9.6782 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 8.49367 7.68916 12.5654 9.04053 15.845 6.31696 numMergedOcc 0
2 mol 143 unq 0 iso 0 dist 7.94258 6.7319 13.548 8.10288 15.5928 6.6554 numMergedOcc 0
3 mol 143 unq 1 iso 0 dist 8.20024 8.72463 4.98373 16.1752 10.8751 7.78652 numMergedOcc 0
4 mol 143 unq 2 iso 0 dist 8.20024 8.72463 4.98373 17.1567 13.1013 8.91301 numMergedOcc 0
5 mol 143 unq 3 iso 0 dist 7.19059 8.72463 10.6381 16.1752 18.178 7.78652 numMergedOcc 0
6 mol 143 unq 4 iso 0 dist 7.19059 8.72463 10.6381 17.1567 18.2773 8.91301 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 6.81055 9.7168 12.052 6.57631 12.0052 9.99156 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 6.81055 9.7168 12.052 8.40891 11.7851 8.18085 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 6.77966 9.61132 11.9651 6.56068 12.0168 9.8656 numMergedOcc 0
10 mol 150 unq 1 iso 0 dist 6.77966 9.61132 11.9651 8.32178 11.6886 7.94889 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 8.46837 7.39961 9.97803 5.95655 10.9903 6.30021 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 8.46837 7.80643 5.0966 11.7605 9.6281 9.44367 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 8.46837 7.80643 5.0966 5.95655 10.9903 9.47433 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 5.16184 6.31492 5.40949 7.00671 9.68323 6.73956 numMergedOcc 0
15 mol 182 unq 1 iso 0 dist 5.16184 6.31492 5.40949 11.1247 10.8403 7.09394 numMergedOcc 0
16 mol 182 unq 2 iso 0 dist 8.54162 7.8621 5.40949 9.23913 9.68323 6.73956 numMergedOcc 0
17 mol 182 unq 3 iso 0 dist 8.54162 7.8621 5.40949 5.77163 10.8403 7.09394 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 4.58449 8.93637 6.24624 12.5597 9.05637 6.59716 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 7.03223 8.93637 6.02282 12.5597 11.3909 6.59716 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 7.73616 7.69537 7.85135 9.80934 15.5459 9.51597 numMergedOcc 0
21 mol 231 unq 0 iso 0 dist 9.16488 8.17766 5.3251 6.62976 11.2829 7.79066 numMergedOcc 0
22 mol 231 unq 1 iso 0 dist 9.35875 9.84965 9.0084 5.74327 12.0986 7.79066 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 9.09556 5.81421 5.56416 9.59458 7.49913 6.71375 numMergedOcc 0
24 mol 284 unq 0 iso 0 dist 7.71744 9.27402 9.00582 15.7062 14.9809 9.33437 numMergedOcc 0
25 mol 284 unq 1 iso 0 dist 7.71744 9.26573 7.29392 15.7062 14.9809 7.8343 numMergedOcc 0
26 mol 284 unq 2 iso 0 dist 4.70976 9.27402 5.21448 15.7062 11.8631 9.33437 numMergedOcc 0
27 mol 284 unq 3 iso 0 dist 4.70976 9.26573 5.10189 15.7062 11.8631 7.8343 numMergedOcc 0
