0 mol 26 unq 0 iso 0 dist 8.11402 7.89222 4.98603 9.6214 7.84204 11.7007 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 7.72334 5.80623 7.47886 5.88339 9.58751 11.3725 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 7.90154 6.75307 4.73598 15.6378 9.58751 14.3096 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 7.90154 7.24775 7.47886 15.6378 9.58751 11.3725 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 7.60482 6.72703 6.56778 5.84579 5.42296 9.09425 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 6.96665 5.39827 5.11693 11.5007 9.40835 9.83914 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.71991 8.54821 4.48233 9.22808 6.18681 8.61893 numMergedOcc 0
7 mol 90 unq 1 iso 0 dist 8.71991 8.54821 4.48233 9.61403 9.33288 12.4493 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 9.07528 5.98187 8.66026 7.36026 8.53618 8.90969 numMergedOcc 0
9 mol 123 unq 1 iso 0 dist 6.24626 7.42186 8.66026 6.45068 8.53618 8.90969 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.78173 8.74658 10.3144 4.51272 9.24546 11.3702 numMergedOcc 0
11 mol 136 unq 0 iso 0 dist 6.60605 9.2211 7.6418 6.13696 8.98184 12.7867 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 9.82638 9.14007 8.7258 6.0008 6.40751 10.4812 numMergedOcc 0
13 mol 256 unq 0 iso 0 dist 7.54244 5.17332 10.4051 9.16813 5.85613 13.7698 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 6.57783 6.8795 6.93995 8.1257 5.30187 11.2435 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 7.05438 9.58671 11.3687 5.85558 9.94661 8.1769 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.59237 8.82948 4.481 6.23875 9.53713 7.99204 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.59237 8.82948 4.481 6.23875 9.53713 7.99204 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.59237 8.82948 4.481 6.23875 9.53713 7.99204 numMergedOcc 0
