0 mol 17 unq 0 iso 0 dist 8.25257 8.37422 4.64234 5.99723 6.26254 3.14198 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 8.25257 5.99723 6.26254 8.37422 4.64234 3.14198 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.45965 6.54236 8.02671 4.86477 6.09533 3.06597 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 6.45965 4.86477 6.09533 6.54236 8.02671 3.06597 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 8.67226 9.00405 7.17695 7.86889 9.33207 3.39356 numMergedOcc 0
5 mol 20 unq 0 iso 1 dist 8.67226 7.86889 9.33207 9.00405 7.17695 3.39356 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.90242 15.9311 8.97566 8.4126 8.81085 9.30148 numMergedOcc 0
7 mol 26 unq 0 iso 1 dist 9.90242 8.4126 8.81085 15.9311 8.97566 9.30148 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 9.00045 16.7918 8.03895 14.0325 5.68873 3.24688 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 9.00045 14.0325 5.68873 16.7918 8.03895 3.24688 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 4.45006 7.76629 5.10693 8.52218 6.58814 2.81832 numMergedOcc 0
11 mol 93 unq 0 iso 1 dist 4.45006 8.52218 6.58814 7.76629 5.10693 2.81832 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 4.45006 7.76629 5.10693 3.83191 6.13459 10.7776 numMergedOcc 0
13 mol 93 unq 1 iso 1 dist 4.45006 3.83191 6.13459 7.76629 5.10693 10.7776 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 4.45006 7.76629 5.10693 3.77555 7.54391 10.4844 numMergedOcc 0
15 mol 93 unq 2 iso 1 dist 4.45006 3.77555 7.54391 7.76629 5.10693 10.4844 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 4.45006 8.52218 6.58814 3.83191 6.13459 11.7564 numMergedOcc 0
17 mol 93 unq 1 iso 1 dist 4.45006 3.83191 6.13459 8.52218 6.58814 11.7564 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 4.45006 8.52218 6.58814 3.77555 7.54391 10.3262 numMergedOcc 0
19 mol 93 unq 2 iso 1 dist 4.45006 3.77555 7.54391 8.52218 6.58814 10.3262 numMergedOcc 0
20 mol 93 unq 2 iso 0 dist 4.45006 3.83191 6.13459 3.77555 7.54391 5.02964 numMergedOcc 0
21 mol 93 unq 2 iso 1 dist 4.45006 3.77555 7.54391 3.83191 6.13459 5.02964 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 6.22466 9.09753 6.99587 6.7472 4.37577 3.09727 numMergedOcc 0
23 mol 186 unq 0 iso 1 dist 6.22466 6.7472 4.37577 9.09753 6.99587 3.09727 numMergedOcc 0
24 mol 192 unq 0 iso 0 dist 6.88947 5.81179 5.05414 3.26277 7.16964 4.98308 numMergedOcc 0
25 mol 192 unq 0 iso 1 dist 6.88947 3.26277 7.16964 5.81179 5.05414 4.98308 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 5.29176 5.38864 8.29256 5.13255 7.8274 8.55398 numMergedOcc 0
27 mol 204 unq 0 iso 1 dist 5.29176 5.13255 7.8274 5.38864 8.29256 8.55398 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 7.46 8.71923 7.88108 9.96926 9.46576 9.93488 numMergedOcc 0
29 mol 260 unq 0 iso 1 dist 7.46 9.96926 9.46576 8.71923 7.88108 9.93488 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 6.38338 7.70421 9.1471 9.73619 7.84189 9.30266 numMergedOcc 0
31 mol 287 unq 0 iso 1 dist 6.38338 9.73619 7.84189 7.70421 9.1471 9.30266 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 6.38338 7.70421 9.1471 9.73619 7.84189 9.30266 numMergedOcc 0
33 mol 288 unq 0 iso 1 dist 6.38338 9.73619 7.84189 7.70421 9.1471 9.30266 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 6.38338 7.70421 9.1471 9.73619 7.84189 9.30266 numMergedOcc 0
35 mol 289 unq 0 iso 1 dist 6.38338 9.73619 7.84189 7.70421 9.1471 9.30266 numMergedOcc 0
