0 mol 17 unq 0 iso 0 dist 6.53817 9.16861 12.6863 8.6745 8.25879 8.74446 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.81769 9.16861 17.064 8.6745 10.9688 8.74446 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.36645 8.80334 4.84988 6.68961 7.14094 11.7517 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.125 6.28472 5.007 6.34748 5.16401 4.7564 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 8.125 6.28472 5.007 8.25594 13.2675 8.53367 numMergedOcc 0
5 mol 56 unq 2 iso 0 dist 8.125 8.74881 11.3449 6.34748 5.16401 10.4308 numMergedOcc 0
6 mol 56 unq 3 iso 0 dist 8.125 8.74881 11.3449 8.25594 13.2675 3.79961 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.10915 7.72437 10.6667 9.899 13.4227 9.29051 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 7.02352 7.72437 5.76588 9.899 4.70856 9.29051 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 9.7754 8.18002 13.6262 8.52421 4.05832 10.5767 numMergedOcc 0
10 mol 68 unq 1 iso 0 dist 9.7754 7.07032 6.65054 8.52421 4.05832 5.64912 numMergedOcc 0
11 mol 71 unq 0 iso 0 dist 8.21553 6.59302 9.06307 7.50921 10.9021 4.36469 numMergedOcc 0
12 mol 71 unq 1 iso 0 dist 8.21553 9.93626 11.3111 7.50921 10.9021 7.62008 numMergedOcc 0
13 mol 71 unq 2 iso 0 dist 8.22762 6.59302 7.31251 7.50921 5.93189 4.36469 numMergedOcc 0
14 mol 71 unq 3 iso 0 dist 8.22762 9.93626 5.11959 7.50921 5.93189 7.62008 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 7.21902 6.26422 6.01663 7.15213 9.11305 12.2186 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 7.21902 6.26422 6.01663 8.86516 8.01674 12.4531 numMergedOcc 0
17 mol 140 unq 0 iso 0 dist 9.41832 5.17739 5.58533 8.4449 6.29124 4.04445 numMergedOcc 0
18 mol 140 unq 1 iso 0 dist 5.44596 5.17739 4.6872 8.4449 5.65439 4.04445 numMergedOcc 0
19 mol 140 unq 2 iso 0 dist 9.69069 5.17739 5.5723 8.4449 5.62569 4.04445 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 6.01711 7.13078 5.38746 9.67711 7.5383 11.7688 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.32829 6.49786 9.28746 8.25953 15.9879 8.96928 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 8.32829 8.43154 13.0583 8.25953 15.9879 6.66771 numMergedOcc 0
23 mol 217 unq 0 iso 0 dist 5.10683 5.60554 5.35865 6.58871 4.64118 6.59014 numMergedOcc 0
24 mol 219 unq 0 iso 0 dist 8.09769 9.38761 4.74167 8.3704 11.3569 8.80389 numMergedOcc 0
25 mol 219 unq 1 iso 0 dist 7.24832 9.38761 4.9853 8.3704 4.78402 8.80389 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 7.30244 9.13234 12.4477 8.63649 14.9028 6.38339 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 7.29796 9.13234 12.3083 8.63649 14.1071 6.38339 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 6.73134 5.77356 6.40312 9.67162 4.66414 10.9455 numMergedOcc 0
29 mol 236 unq 1 iso 0 dist 6.73134 9.24309 6.2568 9.67162 4.66414 9.3486 numMergedOcc 0
30 mol 272 unq 0 iso 0 dist 8.82094 6.52635 10.9667 5.38409 5.12237 6.15056 numMergedOcc 0
31 mol 273 unq 0 iso 0 dist 6.54753 6.59786 4.89568 8.66133 4.24707 8.0478 numMergedOcc 0
32 mol 273 unq 1 iso 0 dist 6.54753 6.59786 4.89568 6.95569 12.634 10.0013 numMergedOcc 0
33 mol 273 unq 2 iso 0 dist 6.54753 7.96519 11.5447 8.66133 4.24707 14.4172 numMergedOcc 0
34 mol 273 unq 3 iso 0 dist 6.54753 7.96519 11.5447 6.95569 12.634 4.42663 numMergedOcc 0
