0 mol 0 unq 0 iso 0 dist 7.31837 5.66453 6.64713 9.42137 5.24778 6.26831 11.6896 11.2072 6.34883 9.6994 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.31837 5.66453 6.64713 9.42137 5.24778 6.26831 14.5258 11.2263 9.19662 7.15528 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.44507 14.6525 9.5053 9.7522 10.9837 8.44506 15.0931 18.1487 13.2876 8.34347 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 5.84625 9.05877 6.62229 10.3132 5.85698 7.27383 11.7483 9.86039 6.37648 6.64012 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.94696 11.7159 8.43352 12.3884 7.06961 7.26086 12.4265 6.7117 7.32662 5.08437 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.94696 11.7159 8.43352 12.3884 7.06961 7.26086 14.0653 9.42961 13.4985 6.48948 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.94696 11.7159 8.43352 12.3884 7.06961 7.26086 7.1452 4.47349 6.934 6.10456 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.16592 15.7109 9.5669 18.1028 9.75737 7.12017 23.7291 15.8683 9.52882 6.45675 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.16592 15.7109 9.5669 18.1028 9.75737 7.12017 25.3447 16.5404 12.6602 7.47343 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 9.16592 15.7109 9.5669 18.1028 9.75737 7.12017 23.4379 16.3323 14.8674 8.86688 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 5.42828 6.84906 9.77017 7.15985 5.39346 8.729 6.68714 10.1861 11.0629 9.60462 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 5.42828 6.84906 9.77017 7.15985 5.39346 8.729 6.71889 10.15 5.48848 7.45389 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.27794 11.393 9.35942 16.414 12.7083 6.34525 20.6021 19.2926 11.128 7.5732 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 6.66022 5.01124 8.85881 4.98864 5.22052 5.74857 6.59772 11.0224 6.08806 6.11741 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 6.66022 5.01124 8.85881 4.98864 5.22052 5.74857 10.9437 12.13 7.21418 7.88312 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 8.73484 4.63594 6.03352 7.04864 8.2619 8.93905 4.5543 11.9051 7.27181 8.75408 numMergedOcc 0
16 mol 120 unq 1 iso 0 dist 8.73484 4.63594 6.03352 7.04864 8.2619 8.93905 6.81949 13.082 10.5192 6.44653 numMergedOcc 0
17 mol 126 unq 0 iso 0 dist 8.97111 5.93497 5.94233 8.32241 6.0268 9.46588 4.84035 6.30546 5.5703 6.06638 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 7.4513 5.37508 5.37796 10.6535 7.11498 5.45036 8.0303 6.59716 6.17628 9.23153 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 7.4513 5.37508 5.37796 10.6535 7.11498 5.45036 15.2611 13.1498 10.4136 8.24498 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 9.69704 9.82329 8.15091 7.15815 5.78064 7.77998 4.93871 13.07 13.6942 9.02271 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 9.58735 5.67781 9.91199 10.2123 10.8558 6.70815 12.2274 15.8417 7.42673 6.60405 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 9.58735 5.67781 9.91199 13.5424 13.2927 7.99477 12.2274 15.8417 7.42673 6.42289 numMergedOcc 0
23 mol 258 unq 2 iso 0 dist 8.12414 4.88527 9.91199 10.6749 10.8558 6.70815 12.227 15.8417 7.42673 6.60405 numMergedOcc 0
24 mol 258 unq 3 iso 0 dist 8.12414 4.88527 9.91199 11.4077 13.2927 7.99477 12.227 15.8417 7.42673 6.42289 numMergedOcc 0
