0 mol 16 unq 0 iso 0 dist 9.76968 5.36195 8.43054 8.8641 6.92781 6.57331 8.55371 5.47769 4.68733 7.03948 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 6.36193 4.99692 9.22598 4.88613 4.81926 8.96727 9.80755 11.5023 14.6599 8.89374 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 4.88613 4.99692 8.96727 6.36193 4.81926 9.22598 6.05206 9.66798 8.59939 9.64665 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.18305 5.65986 7.4369 11.0671 5.4148 9.73086 4.31731 4.65521 6.15714 8.70133 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.58841 16.3337 9.85905 17.86 10.2879 6.72869 13.8628 8.19682 4.00608 6.21982 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.72689 10.0429 7.80898 17.1552 12.1547 7.51139 16.7037 11.375 8.40245 9.10189 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 7.74197 11.151 7.80898 14.2965 12.1547 7.51139 8.29378 11.375 8.40245 9.10189 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.02717 12.6105 9.42082 12.5189 7.69052 6.39384 9.81097 8.66155 6.49835 9.66954 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.02717 12.6105 9.42082 12.5189 7.69052 6.39384 16.0109 12.2309 5.65471 7.64585 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 9.92932 3.76211 7.21868 9.60411 5.49782 7.93372 6.27009 8.79571 5.67107 5.42582 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 9.60411 3.76211 7.93372 9.92932 5.49782 7.21868 6.27009 5.42582 5.67107 8.79571 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 9.60369 4.63732 9.66543 9.55556 5.62899 7.21868 10.2625 13.0121 5.67107 8.79571 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 9.60369 4.63732 9.66543 12.1043 10.7144 7.93372 10.2625 13.0121 5.67107 5.42582 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 9.55556 4.63732 7.21868 12.1043 5.49782 7.93372 10.2625 8.79571 5.67107 5.42582 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 7.41378 4.76079 5.05973 10.8641 11.5866 9.01624 13.5898 16.7285 12.2513 7.98142 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 7.41378 4.76079 5.05973 10.8641 11.5866 9.01624 15.3078 18.3916 14.8923 7.37327 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 7.0843 3.5359 8.75536 7.73315 4.72474 7.33709 12.9902 12.0819 11.6662 8.53199 numMergedOcc 0
17 mol 218 unq 1 iso 0 dist 6.9398 3.5359 6.67404 7.73315 5.61978 7.33709 12.9902 13.6555 11.6662 8.53199 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 7.86368 9.8663 7.81215 11.8838 10.2693 5.64285 15.5163 10.475 6.45373 9.39181 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.90645 9.54522 9.07743 9.73107 4.69778 7.66153 16.7189 10.9591 14.0829 7.48005 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 9.54857 5.49348 5.85442 9.56653 9.98105 6.9899 9.32415 14.5785 9.2872 6.77938 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 9.54857 5.49348 5.85442 9.56653 9.98105 6.9899 5.63099 10.4634 4.61451 7.76676 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 9.77689 17.8399 9.57499 19.3912 11.8268 8.9682 24.6925 19.0768 18.3854 9.41725 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 8.51931 6.17642 9.57499 9.71491 11.8268 8.9682 18.06 19.0768 18.3854 9.41725 numMergedOcc 0
24 mol 277 unq 2 iso 0 dist 8.96343 6.17642 5.46926 9.71491 7.08227 8.9682 18.06 15.6511 18.3854 9.41725 numMergedOcc 0
25 mol 277 unq 3 iso 0 dist 8.96343 8.24206 5.13913 9.71491 7.08227 6.92711 18.06 15.6511 16.1088 9.41725 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 8.37867 6.65781 9.10788 5.75596 12.1693 9.9182 6.58789 14.0515 8.68456 9.454 numMergedOcc 0
27 mol 292 unq 1 iso 0 dist 8.37867 4.00064 8.85064 5.75596 12.1693 8.9221 6.58789 14.0515 7.29981 9.454 numMergedOcc 0
