0 mol 24 unq 0 iso 0 dist 4.93188 8.23075 4.21283 12.3067 9.24958 10.551 5.11617 4.90592 7.85986 13.2229 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 4.93188 8.23075 4.21283 12.3067 9.24958 10.551 10.8238 8.16324 11.0098 6.7828 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 4.93188 4.7841 4.97191 12.3067 9.24958 14.1707 5.11617 4.90592 4.30252 13.2229 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 4.93188 4.7841 4.97191 12.3067 9.24958 14.1707 10.8238 8.16324 12.496 6.7828 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 8.00777 9.01812 4.06365 4.26409 7.1589 9.90583 11.165 8.70863 10.3185 9.29301 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 9.29384 8.80895 9.6795 13.2572 9.15431 17.4411 13.1439 5.44303 15.122 6.51918 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 9.29384 8.80895 9.6795 13.2572 9.15431 17.4411 13.7237 8.50562 17.1537 9.60968 numMergedOcc 0
7 mol 131 unq 2 iso 0 dist 9.29384 8.80895 9.6795 6.63273 6.92648 12.9064 13.1439 5.44303 15.122 7.92788 numMergedOcc 0
8 mol 131 unq 3 iso 0 dist 9.29384 8.80895 9.6795 6.63273 6.92648 12.9064 13.7237 8.50562 17.1537 8.23791 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.69515 7.46621 10.7652 6.21253 7.86572 13.6589 10.1386 4.46777 13.7754 10.1432 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.69515 7.46621 10.7652 6.21253 7.86572 13.6589 7.42649 6.94988 10.4812 9.43674 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 5.49226 8.39897 7.88487 7.15222 6.28351 12.4684 11.1681 7.25644 13.9156 5.50251 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.24795 5.90765 9.28201 9.41955 9.56197 14.8324 7.30024 7.46987 8.72743 9.74148 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 7.24795 5.90765 9.28201 13.684 8.64409 17.3863 7.30024 7.46987 8.72743 11.6919 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 7.24795 5.90765 9.28201 9.45987 7.60202 13.011 7.30024 7.46987 8.72743 5.3967 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 8.0179 8.12346 11.2599 11.6598 5.68348 8.13022 12.0887 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 6.26839 9.52922 7.82899 14.6506 8.83356 14.7152 11.6598 5.68348 8.13022 7.11753 numMergedOcc 0
17 mol 194 unq 2 iso 0 dist 6.26839 9.52922 7.82899 8.48054 8.2654 14.7929 11.6598 5.68348 8.13022 12.8755 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 5.60393 7.13783 12.0319 7.38516 8.44861 13.3708 14.4523 9.17946 21.128 13.0658 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 5.76954 7.84952 11.2216 4.72474 6.29367 11.8692 7.84019 8.3087 12.403 4.92618 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 5.76954 7.84952 11.2216 5.61978 9.20961 12.5146 7.84019 8.3087 12.403 10.9043 numMergedOcc 0
21 mol 218 unq 2 iso 0 dist 6.29511 7.84952 5.46009 4.72474 8.86175 11.8692 7.84019 9.32945 12.403 4.92618 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 8.60026 8.24356 11.1232 7.00201 5.26434 12.3855 12.8544 8.61563 18.7778 7.39176 numMergedOcc 0
