0 mol 8 unq 0 iso 0 dist 4.92734 7.77271 4.85329 7.0822 8.33604 6.26865 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.26138 7.77271 10.8135 7.0822 12.8095 6.26865 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.57999 7.77271 12.9498 7.0822 13.3876 6.26865 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 5.2422 9.75011 6.29127 15.4758 13.662 8.55901 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 5.00126 7.54441 6.42104 5.92759 7.45237 8.43814 numMergedOcc 0
5 mol 39 unq 1 iso 0 dist 5.00126 9.84326 6.42248 5.92759 7.45237 8.16689 numMergedOcc 0
6 mol 42 unq 0 iso 0 dist 6.86731 8.75343 5.08257 6.75338 10.4608 8.52615 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 9.17045 7.62709 7.39653 10.82 15.6951 8.59109 numMergedOcc 0
8 mol 45 unq 1 iso 0 dist 9.17045 7.62709 7.39653 10.9036 6.99408 8.13782 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 140 unq 0 iso 0 dist 7.83582 6.29125 4.90549 5.35291 9.83617 5.63811 numMergedOcc 0
11 mol 140 unq 1 iso 0 dist 9.89896 6.29125 12.7245 5.35291 10.3891 5.63811 numMergedOcc 0
12 mol 140 unq 2 iso 0 dist 9.68229 6.29125 6.69673 5.35291 6.95323 5.63811 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 9.19499 9.40225 7.29758 11.9162 9.36805 6.90155 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 7.11647 9.40225 8.67156 11.9162 13.1853 6.90155 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 7.98018 4.94012 4.53931 4.71629 7.55203 6.90155 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.90247 9.30874 6.25083 10.168 13.2702 8.20656 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 8.90247 5.54873 4.77278 10.168 13.2702 9.40622 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 6.58792 9.30874 10.5753 10.168 14.8211 8.20656 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 6.58792 5.54873 5.88819 10.168 14.8211 9.40622 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 7.07564 9.97425 9.36098 4.92261 6.87664 8.89778 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 9.11052 9.97425 14.7761 4.92261 10.2775 8.89778 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 7.61478 6.89542 4.65297 5.92575 8.96531 6.65088 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 7.61478 6.89542 4.65297 5.30958 10.0552 6.5772 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 7.61478 6.89542 4.65297 6.2139 10.3942 8.70193 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 7.61478 6.89542 4.65297 12.3809 10.0962 6.17025 numMergedOcc 0
26 mol 238 unq 4 iso 0 dist 7.61478 6.89542 4.65297 15.6966 10.5309 9.0378 numMergedOcc 0
27 mol 238 unq 5 iso 0 dist 5.67917 7.90344 5.11565 13.4787 10.924 6.00721 numMergedOcc 0
28 mol 238 unq 6 iso 0 dist 8.96639 7.90344 10.2681 13.4787 15.588 6.00721 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 8.7017 8.5166 10.0774 10.9676 15.8437 6.34801 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 8.40766 9.11168 5.95565 5.70545 6.49982 7.16259 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 5.18789 9.17225 6.17102 10.7347 10.1651 7.72845 numMergedOcc 0
