0 mol 8 unq 0 iso 0 dist 6.82379 6.56356 8.64248 4.94497 8.77457 11.4997 10.9495 10.6335 9.01112 14.2448 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 6.56356 8.64248 4.94497 8.77457 11.4997 8.09332 11.7258 7.62333 11.3752 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 7.55695 8.4312 5.71764 5.94827 4.65127 6.63448 5.67502 10.0962 7.57295 9.49968 numMergedOcc 0
3 mol 60 unq 1 iso 0 dist 7.55695 8.4312 5.71764 5.94827 4.65127 6.63448 5.00018 8.82176 7.48086 5.32257 numMergedOcc 0
4 mol 60 unq 2 iso 0 dist 8.82176 7.48086 5.71764 5.32257 4.65127 6.63448 6.54743 10.0962 7.57295 9.49968 numMergedOcc 0
5 mol 60 unq 3 iso 0 dist 8.82176 7.48086 5.71764 5.32257 4.65127 6.63448 5.00018 7.55695 8.4312 5.94827 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.04044 9.73086 7.8972 5.11416 6.48232 6.14542 5.4148 8.73253 7.4369 6.56633 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.73253 7.4369 7.8972 6.56633 6.48232 6.14542 5.4148 7.04044 9.73086 5.11416 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 4.79949 9.85905 11.0792 4.3931 6.66954 13.8179 10.2879 13.187 6.72869 12.7241 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 7.27693 9.85905 6.48293 6.45686 9.75201 7.46095 10.2879 11.2278 6.72869 4.85247 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.67766 9.77497 9.03468 7.20706 6.76575 13.7062 17.2949 15.7097 7.86666 21.0003 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 8.0831 9.89083 11.0597 5.35728 6.76575 14.0071 7.15843 13.8663 8.52024 12.4648 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 7.1797 9.30061 9.0176 5.62899 8.20836 7.21868 4.57832 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 7.36779 9.66543 4.935 7.1797 9.30061 9.0176 10.7144 10.873 7.93372 5.29786 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 8.20836 7.21868 4.935 4.57832 9.30061 9.0176 5.62899 7.36779 9.66543 7.1797 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 8.20836 7.21868 4.935 4.57832 9.30061 9.0176 5.49782 10.873 7.93372 5.29786 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 6.29367 8.75536 6.57708 4.92618 8.3087 13.0402 4.72474 5.76954 7.33709 7.84019 numMergedOcc 0
17 mol 218 unq 1 iso 0 dist 6.29367 8.75536 6.57708 4.92618 8.3087 13.0402 6.17651 9.20961 6.67404 10.9043 numMergedOcc 0
18 mol 218 unq 2 iso 0 dist 8.86175 8.75536 13.4147 4.92618 9.32945 13.0402 4.72474 6.29511 7.33709 7.84019 numMergedOcc 0
19 mol 218 unq 3 iso 0 dist 8.86175 8.75536 13.4147 4.92618 9.32945 13.0402 6.17651 9.91544 6.67404 10.9043 numMergedOcc 0
20 mol 218 unq 4 iso 0 dist 5.76954 7.33709 6.57708 7.84019 8.3087 13.0402 4.72474 6.29367 8.75536 4.92618 numMergedOcc 0
21 mol 218 unq 5 iso 0 dist 5.76954 7.33709 6.57708 7.84019 8.3087 13.0402 5.61978 9.20961 6.67404 10.9043 numMergedOcc 0
22 mol 218 unq 6 iso 0 dist 6.29511 7.33709 13.4147 7.84019 9.32945 13.0402 4.72474 8.86175 8.75536 4.92618 numMergedOcc 0
23 mol 218 unq 7 iso 0 dist 6.29511 7.33709 13.4147 7.84019 9.32945 13.0402 5.61978 9.91544 6.67404 10.9043 numMergedOcc 0
24 mol 218 unq 8 iso 0 dist 9.20961 6.67404 6.57708 10.9043 8.3087 13.0402 6.17651 6.29367 8.75536 4.92618 numMergedOcc 0
25 mol 218 unq 9 iso 0 dist 9.20961 6.67404 6.57708 10.9043 8.3087 13.0402 5.61978 5.76954 7.33709 7.84019 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 7.17211 8.20162 11.432 13.3965 11.5332 8.1945 15.234 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 9.69696 7.81897 5.96144 6.74593 9.43042 10.3681 5.74182 10.8431 6.34915 8.99037 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 6.04162 9.19754 5.82131 6.26382 7.21655 11.9497 4.92077 6.14323 8.29262 5.24812 numMergedOcc 0
29 mol 264 unq 1 iso 0 dist 6.14323 8.29262 5.82131 5.24812 7.21655 11.9497 4.92077 6.04162 9.19754 6.26382 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 6.28695 7.85414 9.26157 7.69449 11.5506 5.46926 4.37645 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 6.57903 9.57499 14.6871 6.28695 7.85414 9.26157 11.8268 12.7237 8.9682 7.70529 numMergedOcc 0
