0 mol 8 unq 0 iso 0 dist 4.92734 7.77271 4.85329 7.0822 8.33604 6.26865 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 5.00126 7.54441 6.42104 6.37567 7.33969 11.4675 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 5.00126 7.54441 6.42104 5.92759 7.45237 8.43814 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 5.00126 9.84326 6.42248 6.37567 7.33969 10.0778 numMergedOcc 0
4 mol 39 unq 3 iso 0 dist 5.00126 9.84326 6.42248 5.92759 7.45237 8.16689 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 9.17045 7.62709 7.39653 10.9036 6.99408 8.13782 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 9.70415 8.68888 17.9693 10.4362 8.76003 17.9167 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 5.90776 7.36397 12.219 11.7423 7.96555 17.4559 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 5.90776 6.58062 9.97281 11.7423 7.96555 13.3416 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.62866 7.81181 6.95201 11.5609 6.73814 8.39249 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.97043 8.77794 10.8292 7.266 9.66954 9.9411 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 8.97043 8.77794 10.8292 11.6637 7.64585 17.3282 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.88255 8.05492 7.15817 10.06 9.63176 14.422 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 7.83582 6.29125 4.90549 14.4791 8.19104 12.684 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 9.68229 6.29125 6.69673 5.35291 6.95323 5.63811 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 9.19499 9.40225 7.29758 11.9162 9.36805 6.90155 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 7.98018 4.94012 4.53931 4.71629 7.55203 6.90155 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 8.3705 9.75763 6.08211 12.124 8.36117 14.218 numMergedOcc 0
18 mol 195 unq 1 iso 0 dist 8.3705 9.75763 6.08211 6.91511 6.77578 11.867 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 7.07564 9.97425 9.36098 4.92261 6.87664 8.89778 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 8.89211 6.37335 8.78722 6.12197 7.07392 10.3168 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 7.61478 6.89542 4.65297 5.92575 8.96531 6.65088 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 5.67917 7.90344 5.11565 10.761 9.90142 14.5719 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 8.96639 7.90344 10.2681 12.8735 9.68513 16.2894 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 8.96639 7.90344 10.2681 10.761 5.9216 14.5719 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.40766 9.11168 5.95565 5.70545 6.49982 7.16259 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 6.94113 7.88151 5.20486 8.36147 7.50578 12.0729 numMergedOcc 0
