0 mol 11 unq 0 iso 0 dist 6.56599 5.47299 3.66215 12.6523 9.09091 9.81983 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.35021 5.40468 3.56133 12.8869 8.73067 10.0282 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.24149 6.70325 12.6238 5.60332 7.22361 9.82851 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.63881 6.70325 7.97596 5.60332 6.15893 9.82851 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 8.63881 6.70325 7.97596 7.30207 5.497 9.11311 numMergedOcc 0
5 mol 29 unq 0 iso 0 dist 8.69877 9.03639 5.64409 4.39894 7.9067 10.4043 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 9.22814 9.14632 7.42205 4.65104 6.73801 8.95105 numMergedOcc 0
7 mol 41 unq 1 iso 0 dist 9.22814 9.14632 7.42205 14.2155 6.42834 12.0668 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.9648 9.33736 4.43437 4.92118 9.11258 6.41008 numMergedOcc 0
9 mol 87 unq 0 iso 0 dist 9.53368 9.20673 8.53566 4.99645 7.2268 9.41934 numMergedOcc 0
10 mol 87 unq 1 iso 0 dist 9.53368 9.20673 8.53566 6.39199 9.69219 13.7809 numMergedOcc 0
11 mol 87 unq 2 iso 0 dist 6.54532 9.20673 3.63275 5.42671 9.28624 10.3339 numMergedOcc 0
12 mol 87 unq 3 iso 0 dist 6.54532 9.20673 3.63275 4.99645 8.31175 9.41934 numMergedOcc 0
13 mol 87 unq 4 iso 0 dist 6.72471 9.92157 3.87435 7.79329 7.2268 10.8627 numMergedOcc 0
14 mol 87 unq 5 iso 0 dist 6.72471 9.92157 3.87435 9.7513 9.69219 12.9246 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.06039 5.87382 6.52215 11.1547 9.83981 12.9866 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 9.36502 5.87382 8.68818 11.1547 6.13559 12.9866 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.27859 5.28634 9.08526 4.1584 4.25566 4.92382 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 6.27859 5.28634 9.08526 9.5453 7.31037 8.38715 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 6.28535 5.28634 8.96466 4.1584 6.63171 4.92382 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 9.21934 9.0735 4.43652 4.74651 8.73468 8.74878 numMergedOcc 0
21 mol 148 unq 1 iso 0 dist 9.21934 9.0735 4.43652 9.03832 9.73927 10.0716 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 9.13113 9.03593 4.48089 4.75241 8.73558 8.74018 numMergedOcc 0
23 mol 150 unq 1 iso 0 dist 9.13113 9.03593 4.48089 9.0892 9.66129 10.0288 numMergedOcc 0
24 mol 157 unq 0 iso 0 dist 8.18826 9.46735 12.7342 6.22449 6.455 13.2232 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 7.39743 8.76671 4.22401 9.06982 8.9289 12.1137 numMergedOcc 0
26 mol 188 unq 0 iso 0 dist 6.02957 7.50005 4.61059 5.01686 9.33696 8.4784 numMergedOcc 0
27 mol 237 unq 0 iso 0 dist 6.56421 8.75713 4.43574 6.45163 5.98039 9.81585 numMergedOcc 0
28 mol 237 unq 1 iso 0 dist 6.56421 8.75713 4.43574 5.11844 9.48932 12.9084 numMergedOcc 0
