0 mol 14 unq 0 iso 0 dist 8.4114 10.5318 9.54103 5.37926 9.22226 9.81815 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 9.60796 7.23419 9.54103 5.3065 9.22226 9.81815 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.2298 14.932 7.96836 9.71915 7.02884 13.5569 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 8.2298 13.2497 8.49309 9.71915 7.02884 13.9821 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 7.98958 7.38197 6.85245 10.7527 9.53735 5.60332 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.56015 11.7364 9.0481 9.23385 7.35929 4.46355 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 9.17671 5.29804 7.68908 12.6352 6.87901 10.3138 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 9.17671 9.70381 7.95587 12.6352 6.87901 8.49357 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 9.08158 8.90485 7.3864 5.76663 7.55095 4.87437 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 9.66949 8.09701 7.75233 5.37594 9.58371 11.5292 numMergedOcc 0
10 mol 188 unq 0 iso 0 dist 9.63715 9.15846 7.82113 9.40088 9.0939 10.2716 numMergedOcc 0
11 mol 188 unq 1 iso 0 dist 9.63715 9.15846 7.82113 5.54913 6.1338 5.01686 numMergedOcc 0
12 mol 188 unq 2 iso 0 dist 8.5397 6.28041 7.82113 4.95821 9.0939 10.2716 numMergedOcc 0
13 mol 188 unq 3 iso 0 dist 8.5397 6.28041 7.82113 4.75808 6.1338 5.01686 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 9.6897 12.5471 8.96503 8.78075 9.47112 4.79372 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 9.07455 8.39762 7.64898 5.424 9.20651 4.66376 numMergedOcc 0
