0 mol 8 unq 0 iso 0 dist 5.89089 6.32494 6.82379 8.10061 6.56356 8.64248 8.14585 4.94497 8.77457 11.4997 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 7.24378 7.63473 4.79949 8.52286 9.85905 11.0792 11.326 4.3931 6.66954 13.8179 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 7.24378 5.23489 7.27693 8.52286 9.85905 6.48293 9.87514 6.45686 9.75201 7.46095 numMergedOcc 0
3 mol 131 unq 0 iso 0 dist 7.49404 10.7835 8.86329 7.08715 9.27976 5.30999 16.506 10.3369 8.92828 13.4975 numMergedOcc 0
4 mol 131 unq 1 iso 0 dist 7.49404 10.7835 8.86329 7.08715 9.27976 5.30999 13.0273 7.7567 5.56627 10.0568 numMergedOcc 0
5 mol 186 unq 0 iso 0 dist 6.20985 8.93951 7.24795 5.74845 8.73533 9.40383 11.1917 7.30024 7.46987 9.45907 numMergedOcc 0
6 mol 186 unq 1 iso 0 dist 7.69466 5.99908 7.24795 5.60861 8.73533 9.40383 10.3757 7.30024 7.46987 9.45907 numMergedOcc 0
7 mol 204 unq 0 iso 0 dist 9.65951 13.1567 6.85441 4.51957 7.9133 9.54203 12.9264 5.86489 5.91727 9.48625 numMergedOcc 0
8 mol 204 unq 1 iso 0 dist 9.14829 13.1156 6.85441 9.9552 7.9133 9.54203 14.6586 5.86489 5.91727 9.48625 numMergedOcc 0
9 mol 218 unq 0 iso 0 dist 9.95084 12.0325 5.76954 13.8104 7.33709 6.57708 15.2376 7.84019 8.3087 13.0402 numMergedOcc 0
10 mol 218 unq 1 iso 0 dist 9.95084 9.24887 6.29511 13.8104 7.33709 13.4147 15.2376 7.84019 9.32945 13.0402 numMergedOcc 0
11 mol 232 unq 0 iso 0 dist 6.94983 10.971 7.83711 7.30782 6.71524 8.03712 8.70651 4.9377 6.57921 9.9183 numMergedOcc 0
12 mol 257 unq 0 iso 0 dist 6.44188 7.39014 9.69696 6.16483 7.81897 5.96144 11.1139 6.74593 9.43042 10.3681 numMergedOcc 0
13 mol 257 unq 1 iso 0 dist 5.13633 9.87316 9.69696 5.48725 7.81897 5.96144 10.9473 6.74593 9.43042 10.3681 numMergedOcc 0
14 mol 264 unq 0 iso 0 dist 8.43682 7.79077 6.04162 4.66338 9.19754 5.82131 11.2071 6.26382 7.21655 11.9497 numMergedOcc 0
15 mol 264 unq 1 iso 0 dist 6.20796 7.79077 6.14323 4.66338 8.29262 5.82131 11.2071 5.24812 7.21655 11.9497 numMergedOcc 0
16 mol 264 unq 2 iso 0 dist 7.73693 12.3382 6.14323 10.3972 8.29262 5.82131 12.728 5.24812 7.21655 11.9497 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 5.22392 10.6266 6.57903 6.68571 9.57499 14.6871 9.17672 6.28695 7.85414 9.26157 numMergedOcc 0
