0 mol 11 unq 0 iso 0 dist 6.49709 4.4067 8.68293 6.20956 4.73237 6.09937 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.49709 13.2938 6.84216 9.42607 5.8961 9.07476 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 5.32149 4.86477 9.1397 6.45965 6.47139 6.09533 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.96446 12.0126 5.42067 10.868 4.73713 5.04673 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.70686 12.0126 7.36435 10.868 4.36394 5.04673 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 7.90775 6.56529 7.51733 11.7863 5.77535 7.74924 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.70016 13.586 9.59585 12.6644 4.36935 9.86767 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 5.06555 8.14689 6.42623 10.792 5.89379 9.16089 numMergedOcc 0
8 mol 122 unq 0 iso 0 dist 8.47907 12.1473 4.42563 8.3907 4.42285 6.80798 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 6.44195 5.71332 8.89394 9.71025 5.88662 8.26128 numMergedOcc 0
10 mol 163 unq 0 iso 0 dist 7.75045 10.9436 8.16252 9.04436 4.12904 9.37245 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 6.53913 5.60897 5.36671 12.5546 6.32863 8.95296 numMergedOcc 0
12 mol 167 unq 1 iso 0 dist 6.53913 5.60897 5.36671 9.08229 5.48405 6.10021 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 6.28961 12.9917 9.37946 9.19569 4.34424 9.58901 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.09874 14.1844 9.70481 13.9024 8.58814 8.17301 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 9.23836 6.17727 4.67869 11.1899 4.57882 6.10505 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 8.57514 13.7017 9.31158 12.7057 4.2475 8.93485 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 8.57514 13.7017 9.31158 14.4031 6.8901 5.66636 numMergedOcc 0
18 mol 205 unq 2 iso 0 dist 6.11505 13.9601 9.31158 9.86224 4.2475 8.93485 numMergedOcc 0
19 mol 205 unq 3 iso 0 dist 6.11505 13.9601 9.31158 12.7533 6.8901 5.66636 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 8.58471 8.19655 6.85824 11.8094 3.84723 9.25184 numMergedOcc 0
21 mol 213 unq 0 iso 0 dist 9.73691 9.18934 4.66576 14.1784 4.67262 7.49754 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 7.94344 10.313 9.06459 10.3357 5.67031 9.68612 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 7.8128 9.83176 8.08965 11.9334 5.23741 8.1174 numMergedOcc 0
24 mol 281 unq 0 iso 0 dist 9.27716 7.60311 5.50053 14.3162 7.74992 6.82918 numMergedOcc 0
25 mol 281 unq 1 iso 0 dist 9.27716 11.1675 7.33334 17.53 13.6632 9.13909 numMergedOcc 0
26 mol 281 unq 2 iso 0 dist 9.27716 11.1675 7.33334 14.3162 7.74992 4.29351 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 9.82717 13.8352 5.03601 9.33149 4.16039 5.28731 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 8.33653 7.52611 5.03601 11.4425 4.16039 5.28731 numMergedOcc 0
29 mol 285 unq 2 iso 0 dist 6.44657 5.32175 5.03601 5.77107 4.16039 5.28731 numMergedOcc 0
