0 mol 4 unq 0 iso 0 dist 9.15878 7.17837 9.63758 4.01547 7.29079 5.68131 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 8.93461 11.0871 9.78153 6.42403 7.55253 5.07222 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 8.93461 11.0871 9.78153 3.69246 8.06428 12.5246 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 6.51139 10.8697 6.75602 3.84207 7.16598 9.86323 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 6.51139 10.8697 6.75602 5.6133 7.42476 7.46776 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.04514 9.66389 5.35252 14.436 8.52681 8.12843 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 9.04514 9.66389 5.35252 12.7654 9.98769 9.72202 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 9.14072 9.90363 5.06188 12.884 9.40291 9.57893 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 9.14072 9.90363 5.06188 14.5015 7.94814 7.88988 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 9.14072 9.90363 5.06188 16.2483 9.55632 8.00934 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 7.00234 5.57378 7.03224 8.04676 9.87102 4.19648 numMergedOcc 0
11 mol 69 unq 1 iso 0 dist 7.30652 10.3741 7.03224 14.2223 9.87102 4.19648 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 8.92491 8.04327 5.73235 13.3471 9.50939 5.50078 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 8.92491 14.685 7.48127 13.3471 9.50939 11.6853 numMergedOcc 0
14 mol 76 unq 2 iso 0 dist 7.41861 7.7047 5.73235 9.68005 9.50939 5.50078 numMergedOcc 0
15 mol 76 unq 3 iso 0 dist 7.41861 4.00834 7.48127 9.68005 9.50939 11.6853 numMergedOcc 0
16 mol 83 unq 0 iso 0 dist 6.77845 9.39588 7.2118 5.31562 5.13041 4.12785 numMergedOcc 0
17 mol 83 unq 1 iso 0 dist 5.48555 12.0034 7.2118 8.56578 5.13041 4.12785 numMergedOcc 0
18 mol 83 unq 2 iso 0 dist 5.39805 6.61275 7.2118 3.7497 5.13041 4.12785 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 9.29249 9.44377 7.70612 6.21004 9.62106 4.65353 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 7.70808 5.7618 6.30896 3.7209 4.36944 4.52783 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 8.79677 11.5575 6.54778 6.83136 5.87382 5.72803 numMergedOcc 0
22 mol 114 unq 1 iso 0 dist 8.79677 4.66388 8.57909 6.83136 5.87382 4.5348 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 6.9268 8.75242 5.79195 8.4707 8.98028 4.37065 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 6.9268 14.0828 9.2759 8.4707 8.98028 15.7191 numMergedOcc 0
25 mol 133 unq 2 iso 0 dist 6.9268 15.4372 8.76088 8.4707 8.98028 13.5318 numMergedOcc 0
26 mol 133 unq 3 iso 0 dist 8.19166 6.45333 5.79195 6.42838 8.98028 4.37065 numMergedOcc 0
27 mol 133 unq 4 iso 0 dist 8.19166 11.5586 9.2759 6.42838 8.98028 15.7191 numMergedOcc 0
28 mol 133 unq 5 iso 0 dist 8.19166 14.3705 8.76088 6.42838 8.98028 13.5318 numMergedOcc 0
29 mol 158 unq 0 iso 0 dist 8.80952 11.2678 9.96635 3.72916 7.76952 13.4119 numMergedOcc 0
30 mol 158 unq 1 iso 0 dist 8.80952 11.2678 9.96635 17.8569 9.98554 12.6695 numMergedOcc 0
31 mol 159 unq 0 iso 0 dist 7.52779 10.242 9.9368 10.3725 8.61788 13.1056 numMergedOcc 0
32 mol 165 unq 0 iso 0 dist 9.63241 7.28318 5.99596 3.36546 9.54118 8.9387 numMergedOcc 0
33 mol 167 unq 0 iso 0 dist 6.28957 5.44954 7.20545 3.92405 7.20131 6.39898 numMergedOcc 0
34 mol 167 unq 1 iso 0 dist 7.34285 9.15105 7.20545 6.18329 7.20131 6.39898 numMergedOcc 0
35 mol 183 unq 0 iso 0 dist 6.0782 5.66126 8.97652 9.03854 8.69656 14.3669 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 12.2056 8.92335 8.09407 numMergedOcc 0
37 mol 192 unq 0 iso 0 dist 9.78743 13.2525 6.2016 16.7863 7.97601 9.82858 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 7.08083 6.46773 4.36421 4.24746 9.96715 9.91172 numMergedOcc 0
39 mol 230 unq 0 iso 0 dist 5.19913 6.28086 9.24729 6.2863 9.62914 4.45276 numMergedOcc 0
40 mol 230 unq 1 iso 0 dist 5.19913 6.28086 9.24729 12.1033 9.73038 15.7177 numMergedOcc 0
41 mol 239 unq 0 iso 0 dist 4.53228 10.9464 8.26312 6.29809 5.4687 10.9985 numMergedOcc 0
42 mol 239 unq 1 iso 0 dist 4.53228 6.54316 7.58554 6.29809 5.4687 10.9079 numMergedOcc 0
43 mol 239 unq 2 iso 0 dist 8.54078 10.4394 8.26312 8.19053 5.4687 10.9985 numMergedOcc 0
44 mol 239 unq 3 iso 0 dist 8.54078 6.2497 7.58554 8.19053 5.4687 10.9079 numMergedOcc 0
45 mol 265 unq 0 iso 0 dist 8.5774 7.53666 7.52632 8.80592 6.04835 10.5232 numMergedOcc 0
46 mol 265 unq 1 iso 0 dist 9.94957 4.47698 7.52632 14.366 6.04835 10.5232 numMergedOcc 0
47 mol 265 unq 2 iso 0 dist 8.01664 5.62902 7.52632 11.7178 6.04835 10.5232 numMergedOcc 0
48 mol 271 unq 0 iso 0 dist 6.96986 12.846 9.50884 5.67979 9.97897 12.9579 numMergedOcc 0
