0 mol 10 unq 0 iso 0 dist 7.30932 12.6548 5.8369 11.3234 8.53083 9.6451 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.30932 9.80689 8.06428 11.3234 8.53083 7.55253 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 7.82759 3.97968 5.42412 10.1889 3.70336 8.09862 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 7.82759 3.97968 5.42412 11.8366 5.1533 8.89114 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.32699 13.3375 7.90416 21.167 14.9999 9.74553 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 6.45933 8.95658 7.90416 17.9713 14.9999 9.74553 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 8.92048 6.81329 6.52283 11.373 4.68125 7.97305 numMergedOcc 0
7 mol 147 unq 1 iso 0 dist 8.84926 12.0708 7.97305 11.3211 4.68125 6.52283 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 5.78626 13.1628 9.98554 20.8368 17.1307 7.76952 numMergedOcc 0
9 mol 158 unq 1 iso 0 dist 9.8417 8.64986 9.98554 14.5358 17.1307 7.76952 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 7.667 7.66859 5.80055 13.0272 8.38976 5.64732 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 7.667 7.66859 5.80055 11.3231 6.81049 5.52214 numMergedOcc 0
12 mol 168 unq 2 iso 0 dist 7.667 7.66859 5.80055 10.4816 3.44823 7.44481 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 9.91132 10.8127 7.52751 17.7522 9.53656 9.75791 numMergedOcc 0
14 mol 254 unq 0 iso 0 dist 8.87934 5.25626 9.672 9.66687 2.67738 9.15233 numMergedOcc 0
15 mol 254 unq 1 iso 0 dist 9.66687 5.25626 9.15233 8.87934 2.67738 9.672 numMergedOcc 0
16 mol 254 unq 2 iso 0 dist 9.47133 5.12074 9.672 7.61537 2.67738 9.15233 numMergedOcc 0
17 mol 254 unq 3 iso 0 dist 7.61537 5.12074 9.15233 9.47133 2.67738 9.672 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 8.36585 12.0536 8.39976 19.0858 13.001 7.82157 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 8.36585 12.0536 8.39976 19.0858 13.001 7.82157 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 8.36585 12.0536 8.39976 19.0858 13.001 7.82157 numMergedOcc 0
