0 mol 10 unq 0 iso 0 dist 8.93461 11.0871 9.78153 6.42403 7.55253 5.07222 18.1516 17.1926 8.99402 13.475 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.93461 11.0871 9.78153 3.69246 8.06428 12.5246 18.1516 17.1926 8.99402 18.9112 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.04514 9.66389 5.35252 14.436 8.52681 8.12843 11.1779 5.03338 7.38928 12.6567 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.04514 9.66389 5.35252 12.7654 9.98769 9.72202 11.1779 5.03338 7.38928 14.8248 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.92491 8.04327 5.73235 13.3471 9.50939 5.50078 9.06225 5.22567 7.02854 10.0184 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 7.41861 7.7047 5.73235 9.68005 9.50939 5.50078 12.1652 5.22567 7.02854 10.0184 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.79677 11.5575 6.54778 6.83136 5.87382 5.72803 11.3418 4.84565 9.6874 8.2575 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 6.9268 8.75242 5.79195 8.4707 8.98028 4.37065 6.85651 5.35551 9.07294 11.2252 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 6.9268 14.0828 9.2759 8.4707 8.98028 15.7191 16.9398 10.8516 5.12189 18.338 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 6.9268 14.0828 9.2759 8.4707 8.98028 15.7191 6.85651 5.35551 7.50126 11.2252 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 8.19166 6.45333 5.79195 6.42838 8.98028 4.37065 7.03858 5.35551 9.07294 11.2252 numMergedOcc 0
11 mol 133 unq 4 iso 0 dist 8.19166 11.5586 9.2759 6.42838 8.98028 15.7191 15.5532 10.8516 5.12189 18.338 numMergedOcc 0
12 mol 133 unq 5 iso 0 dist 8.19166 11.5586 9.2759 6.42838 8.98028 15.7191 7.03858 5.35551 7.50126 11.2252 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 8.80952 11.2678 9.96635 3.72916 7.76952 13.4119 11.946 10.9312 7.07348 14.1102 numMergedOcc 0
14 mol 158 unq 1 iso 0 dist 8.80952 11.2678 9.96635 17.8569 9.98554 12.6695 11.946 10.9312 7.07348 15.9309 numMergedOcc 0
15 mol 159 unq 0 iso 0 dist 7.52779 10.242 9.9368 10.3725 8.61788 13.1056 12.5372 13.4546 7.60912 19.296 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 6.28957 5.44954 7.20545 3.92405 7.20131 6.39898 12.7444 9.97915 9.82329 14.9436 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 7.34285 9.15105 7.20545 6.18329 7.20131 6.39898 14.7796 9.97915 9.82329 14.9436 numMergedOcc 0
18 mol 183 unq 0 iso 0 dist 6.0782 5.66126 8.97652 9.03854 8.69656 14.3669 10.6152 9.01399 7.69421 17.4248 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 12.2056 8.92335 8.09407 9.89709 6.12748 7.02662 12.9744 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 9.78743 13.2525 6.2016 16.7863 7.97601 9.82858 7.252 5.21255 7.30965 13.0939 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 5.19913 6.28086 9.24729 6.2863 9.62914 4.45276 11.236 11.0843 6.88683 10.1927 numMergedOcc 0
22 mol 230 unq 1 iso 0 dist 5.19913 6.28086 9.24729 12.1033 9.73038 15.7177 11.236 11.0843 6.88683 17.788 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 4.53228 6.54316 7.58554 6.29809 5.4687 10.9079 8.68803 5.94643 9.59937 11.1939 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 8.54078 6.2497 7.58554 8.19053 5.4687 10.9079 13.3402 5.94643 9.59937 11.1939 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 8.5774 7.53666 7.52632 8.80592 6.04835 10.5232 10.5131 3.89234 9.50814 9.47603 numMergedOcc 0
26 mol 265 unq 1 iso 0 dist 9.94957 4.47698 7.52632 14.366 6.04835 10.5232 10.3071 3.89234 9.50814 9.47603 numMergedOcc 0
27 mol 265 unq 2 iso 0 dist 8.01664 5.62902 7.52632 11.7178 6.04835 10.5232 8.22353 3.89234 9.50814 9.47603 numMergedOcc 0
