0 mol 24 unq 0 iso 0 dist 5.42968 9.67461 8.23075 10.6551 6.7846 5.54419 6.44893 4.21283 4.93188 4.33963 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.94343 9.67461 4.7841 10.6551 8.03955 5.54419 6.44893 4.97191 4.93188 4.33963 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.72346 5.5249 7.39848 8.06275 9.86609 8.80331 13.1618 6.59887 9.93832 9.06158 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 7.45173 5.46715 7.39848 13.5835 9.86609 8.80331 11.7519 6.59887 9.93832 9.06158 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.98764 5.53115 7.37171 12.1018 15.1432 8.70481 12.2678 12.6176 8.85586 14.8866 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 5.98764 5.53115 7.37171 12.1018 15.1432 8.70481 11.0132 14.2305 7.11 8.05119 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.58102 13.4875 7.92856 13.1899 8.29813 5.08437 12.5598 8.67903 7.26086 7.32662 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.58102 13.4875 7.92856 18.6545 13.2057 6.48948 12.5598 8.67903 7.26086 13.4985 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.58102 13.4875 7.92856 17.8637 12.7473 6.10456 12.5598 8.67903 7.26086 6.934 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 8.83567 4.38646 6.87434 7.85583 4.69658 7.71338 9.73759 4.25001 6.43433 8.56707 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 6.79584 4.9102 6.87434 8.86938 4.69658 7.71338 5.9819 4.25001 6.43433 8.56707 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 4.72209 4.84308 7.13783 11.1839 13.3822 7.26832 10.4442 12.0319 5.60393 5.28092 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 8.42431 13.5013 6.23183 16.0675 8.20841 8.02137 19.9169 11.5047 8.70977 6.3188 numMergedOcc 0
13 mol 206 unq 1 iso 0 dist 8.42431 13.5013 6.23183 13.9224 7.83734 9.774 19.9169 11.5047 8.70977 9.9412 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 6.26596 11.2069 9.06459 9.43611 4.15355 8.82096 16.5763 13.3401 8.46327 10.2399 numMergedOcc 0
15 mol 248 unq 0 iso 0 dist 8.28099 5.8982 7.79063 10.1466 6.19721 7.69895 9.97871 4.91893 6.17052 5.99459 numMergedOcc 0
16 mol 248 unq 1 iso 0 dist 8.28099 6.17735 9.64778 10.1466 6.19721 7.21521 9.97871 4.91893 9.77666 5.99459 numMergedOcc 0
17 mol 248 unq 2 iso 0 dist 5.76741 7.63032 7.79063 7.40475 6.19721 7.69895 9.08064 4.91893 6.17052 5.99459 numMergedOcc 0
18 mol 248 unq 3 iso 0 dist 5.76741 6.42334 9.64778 7.40475 6.19721 7.21521 9.08064 4.91893 9.77666 5.99459 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.82533 12.8434 5.4557 11.9244 4.02333 6.97229 17.7231 10.6472 8.15467 11.6066 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 8.55479 6.39263 8.24356 9.80409 11.4108 8.45658 5.67349 11.1232 8.60026 6.04016 numMergedOcc 0
