0 mol 15 unq 0 iso 0 dist 4.27439 9.63035 12.1014 4.89563 5.63041 6.78983 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 4.4866 7.27623 4.56037 8.46313 6.66385 7.13676 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 6.2972 9.61252 5.38065 9.61096 8.8408 13.5192 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.09587 9.76184 6.6711 9.79714 13.0619 8.73236 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 8.84955 7.4713 7.46374 8.26309 6.52821 5.16546 numMergedOcc 0
5 mol 103 unq 1 iso 0 dist 8.84955 8.91952 8.62264 8.26309 6.52821 9.02414 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.26301 8.14574 5.50163 7.91231 7.65733 11.1664 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 6.06276 8.11023 9.68564 8.45117 8.38978 7.32168 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 7.17789 8.39237 3.82682 5.47189 12.5982 13.4775 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 8.17723 9.89918 4.6408 4.71754 4.96428 6.36617 numMergedOcc 0
10 mol 228 unq 0 iso 0 dist 8.53297 9.75578 7.4344 9.46214 7.05573 10.0045 numMergedOcc 0
11 mol 228 unq 1 iso 0 dist 8.53297 8.52422 5.09715 9.46214 7.05573 5.34702 numMergedOcc 0
12 mol 228 unq 2 iso 0 dist 9.23333 8.26664 5.09715 8.81885 7.8494 4.84511 numMergedOcc 0
13 mol 228 unq 3 iso 0 dist 6.02491 8.73196 7.4344 9.51602 5.84747 5.34643 numMergedOcc 0
14 mol 228 unq 4 iso 0 dist 6.02491 9.68484 5.09715 9.51602 5.84747 9.98626 numMergedOcc 0
15 mol 228 unq 5 iso 0 dist 9.21065 8.27678 5.35058 8.89311 8.07826 4.83458 numMergedOcc 0
16 mol 228 unq 6 iso 0 dist 5.89577 9.75578 5.35058 9.46214 5.70777 10.0045 numMergedOcc 0
17 mol 228 unq 7 iso 0 dist 5.89577 8.52422 7.20896 9.46214 5.70777 5.34702 numMergedOcc 0
18 mol 228 unq 8 iso 0 dist 8.6694 8.73196 5.35058 9.51602 7.18261 5.34643 numMergedOcc 0
19 mol 228 unq 9 iso 0 dist 8.6694 9.68484 7.20896 9.51602 7.18261 9.98626 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 9.06221 5.9677 5.91692 4.94074 10.2837 4.80704 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 6.25412 9.26228 13.774 9.85618 10.1651 8.05458 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 9.91996 8.68995 6.78634 5.16581 5.54149 4.91688 numMergedOcc 0
23 mol 257 unq 1 iso 0 dist 9.91996 8.68995 6.78634 5.13633 10.8918 6.25954 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 8.78501 4.98594 11.8672 8.82941 9.7281 10.7574 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 5.59641 4.98594 9.91179 8.82941 5.98169 10.7574 numMergedOcc 0
26 mol 271 unq 0 iso 0 dist 7.90629 8.56431 6.59541 7.59727 7.30308 5.49799 numMergedOcc 0
27 mol 275 unq 0 iso 0 dist 8.55256 9.88669 5.08581 9.94511 9.41448 5.32804 numMergedOcc 0
