0 mol 41 unq 0 iso 0 dist 8.45063 9.08934 4.68793 10.2426 6.07784 5.41493 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.41134 5.29688 9.05547 4.67917 6.07398 8.05508 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 8.61357 12.0007 9.05547 5.81747 6.07398 8.05508 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 8.34804 16.4344 8.64208 21.4429 13.1954 8.65898 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.7307 6.94239 5.57389 12.0264 5.33771 8.04256 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 7.7307 6.94239 5.57389 13.0621 9.21957 7.51075 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 8.39608 4.93292 8.21553 11.7205 13.9588 8.85372 numMergedOcc 0
7 mol 71 unq 1 iso 0 dist 7.28815 6.53623 8.21553 11.8422 13.9588 8.85372 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 8.1375 8.44658 7.55805 9.57953 4.36597 4.99966 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 8.58317 4.70935 7.73139 9.16999 4.42983 9.42513 numMergedOcc 0
10 mol 127 unq 1 iso 0 dist 5.52891 4.70935 8.62711 9.16999 5.88232 9.42513 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 9.92685 10.5415 9.05626 13.8116 7.43279 5.49877 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 7.63904 5.5065 9.04554 7.10223 7.10961 6.23399 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 5.16143 5.01007 8.66709 6.91762 7.64573 4.44292 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 8.08392 12.7814 8.66709 12.165 7.64573 4.44292 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 6.89529 4.12904 6.56115 9.04757 13.739 9.63873 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 9.65404 6.32863 7.83781 10.5186 5.30254 5.59806 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 6.20851 9.22906 6.01711 8.59783 5.24208 6.07091 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 6.7407 8.6578 8.70197 10.4088 4.52935 8.1088 numMergedOcc 0
19 mol 185 unq 0 iso 0 dist 7.64068 10.1438 9.59096 18.889 14.5353 9.878 numMergedOcc 0
20 mol 185 unq 1 iso 0 dist 7.64068 10.1438 9.59096 15.4704 9.5349 9.21149 numMergedOcc 0
21 mol 185 unq 2 iso 0 dist 9.83898 4.83776 9.59096 7.92501 14.5353 9.878 numMergedOcc 0
22 mol 185 unq 3 iso 0 dist 9.83898 4.83776 9.59096 8.27418 9.5349 9.21149 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 8.20542 11.2013 9.97357 14.4736 7.84468 8.90987 numMergedOcc 0
