0 mol 26 unq 0 iso 0 dist 8.99751 9.44507 4.36675 3.30063 9.82851 9.11311 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.44507 8.99751 4.36675 3.30063 9.11311 9.82851 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.17655 6.47416 6.70789 8.65738 6.2576 8.96069 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 8.17655 8.0255 7.15067 8.65738 6.2576 12.2074 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 6.47416 8.17655 6.70789 8.65738 8.96069 6.2576 numMergedOcc 0
5 mol 79 unq 3 iso 0 dist 6.47416 8.0255 5.79604 8.65738 8.96069 12.2074 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.7913 5.93987 9.38827 14.5986 6.89071 14.7203 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 7.11127 6.91655 6.3583 3.94069 8.4219 10.2864 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 7.11438 5.62309 6.2185 12.6706 8.4219 14.0552 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 7.4518 9.1687 12.5773 14.6061 7.83506 16.3885 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.66068 8.03783 4.09459 3.74516 7.40338 6.23759 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 8.03783 9.66068 4.09459 7.4003 5.35711 9.34113 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 8.03783 9.66068 4.09459 3.74516 6.23759 7.40338 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 6.03154 9.49761 10.0457 4.62046 7.4442 12.3001 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 5.49198 8.7311 6.26901 3.78601 8.31198 9.81349 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.7311 5.49198 6.26901 3.78601 9.81349 8.31198 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 6.78469 8.30496 4.27704 10.5537 9.62774 12.9127 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 7.79437 7.91434 5.63521 4.24401 9.84538 11.3376 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 9.37017 9.99421 6.28555 11.2153 8.4784 13.4764 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 6.38341 9.78826 9.36595 10.2963 9.81919 17.4798 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 8.76332 8.60489 3.87957 9.4876 8.79261 10.6578 numMergedOcc 0
21 mol 285 unq 1 iso 0 dist 8.76332 8.60489 3.87957 11.4925 9.99125 10.4333 numMergedOcc 0
