0 mol 15 unq 0 iso 0 dist 4.89563 4.98085 5.89412 9.94679 9.75966 6.03257 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.16274 5.00898 6.42748 9.95429 10.1154 6.03257 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.55169 11.1103 9.78331 9.84612 5.67637 7.25951 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 9.55169 11.1103 9.78331 10.6884 4.03817 7.92012 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.34277 6.14367 8.87757 8.98227 7.33728 6.25843 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 6.34277 6.14367 8.87757 12.697 13.9331 8.88938 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 9.40763 8.83211 8.87757 13.0625 7.33728 6.25843 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 9.40763 8.83211 8.87757 11.3603 13.9331 8.88938 numMergedOcc 0
8 mol 25 unq 4 iso 0 dist 8.46842 10.4123 6.16347 14.0507 6.08585 6.25843 numMergedOcc 0
9 mol 32 unq 0 iso 0 dist 8.88829 10.1739 7.99969 16.9842 10.8897 8.5315 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 9.58693 10.8137 5.78706 14.8638 11.3905 7.14031 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 9.48388 7.65932 5.65185 9.66226 7.28361 7.36769 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 9.48388 7.65932 5.65185 11.8553 12.0974 6.88901 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 5.79411 4.26679 8.31932 8.48638 4.48396 8.88394 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 9.06272 6.48813 6.28565 12.2505 10.7293 9.73158 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 9.06272 6.48813 6.28565 12.3006 7.29399 7.59327 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.31743 6.89623 5.83771 11.1414 4.60632 6.40575 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 8.5778 6.89623 7.80532 11.1414 5.71679 6.40575 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 8.68992 9.13275 7.36698 13.6345 11.2785 7.22518 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 8.68992 9.13275 7.36698 6.08141 5.90026 5.25109 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 6.94983 4.03628 9.05071 8.70651 4.9377 9.8664 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 9.14351 5.56847 5.48118 9.85915 9.0676 5.9627 numMergedOcc 0
22 mol 271 unq 0 iso 0 dist 7.59727 5.88597 9.70714 8.97962 8.66946 5.92274 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 7.47799 11.4465 9.76787 9.44925 6.19336 6.73712 numMergedOcc 0
