0 mol 43 unq 0 iso 0 dist 8.06275 5.71662 9.74445 9.83489 8.03754 8.75469 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 18.5048 9.74445 14.6778 8.03754 8.75469 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.72872 10.3388 5.38191 5.56571 9.20429 14.0601 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 5.50504 5.25196 9.62468 8.01646 8.44473 12.9303 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 5.50504 6.97911 5.92705 8.01646 8.44473 13.2942 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.99793 5.67441 7.25166 5.0271 8.14429 5.53478 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 8.47907 6.85647 8.33083 14.9119 8.75778 13.1171 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 8.34839 5.80854 9.10619 8.6893 8.41774 7.53439 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 8.78509 12.526 9.03194 11.4726 8.02366 13.0853 numMergedOcc 0
9 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 8.33307 9.63185 11.7183 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 8.57514 8.21257 8.43584 8.8747 6.94789 13.7406 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 8.57514 8.21257 8.43584 12.2424 6.23932 8.05429 numMergedOcc 0
12 mol 205 unq 2 iso 0 dist 6.11505 5.03046 8.43584 9.55713 6.94789 13.7406 numMergedOcc 0
13 mol 205 unq 3 iso 0 dist 6.11505 5.03046 8.43584 9.51216 6.23932 8.05429 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 12.9787 6.13878 5.02037 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 5.41585 5.39218 10.1832 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 9.38793 12.7183 6.60309 9.78665 6.03235 4.81768 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 7.23956 7.09461 6.90434 10.2688 4.81916 5.95045 numMergedOcc 0
