0 mol 19 unq 0 iso 0 dist 8.18518 5.36258 6.55187 5.96899 9.32418 4.33223 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 4.68793 7.64235 6.59294 7.7727 9.50094 9.02592 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 4.68793 6.00623 5.62412 7.7727 9.50094 5.05474 numMergedOcc 0
3 mol 41 unq 2 iso 0 dist 4.68793 6.59367 5.0364 7.7727 9.50094 7.42205 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 5.36645 8.80334 4.84988 5.43913 3.63758 5.67204 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 5.36645 8.80334 4.84988 8.26877 6.88863 4.28224 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 9.05547 8.10708 14.134 8.185 10.1462 7.57153 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 9.7754 8.18002 13.6262 5.26566 6.60361 8.14072 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 9.7754 8.18002 13.6262 6.27118 9.64558 4.262 numMergedOcc 0
9 mol 68 unq 2 iso 0 dist 9.7754 7.07032 6.65054 5.26566 6.60361 5.54348 numMergedOcc 0
10 mol 68 unq 3 iso 0 dist 9.7754 7.07032 6.65054 6.27118 9.64558 3.9061 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 6.30103 8.15236 6.93027 6.34669 9.85862 12.2134 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 6.30103 8.24447 11.145 6.34669 9.85862 4.07336 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 8.19156 6.71591 5.37729 8.53631 4.97363 7.85173 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 9.54589 6.71591 8.16165 8.53631 15.1362 7.85173 numMergedOcc 0
15 mol 140 unq 0 iso 0 dist 9.41832 5.17739 5.58533 7.82005 9.54649 6.69665 numMergedOcc 0
16 mol 140 unq 1 iso 0 dist 5.44596 5.17739 4.6872 7.82005 4.56057 6.69665 numMergedOcc 0
17 mol 140 unq 2 iso 0 dist 9.69069 5.17739 5.5723 7.82005 9.9108 6.69665 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 7.5984 8.57285 5.44503 5.33772 6.75249 4.19541 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 8.58946 9.72291 11.206 8.43955 6.13061 5.3461 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 6.73365 7.77669 10.3111 8.06007 12.5746 3.63393 numMergedOcc 0
21 mol 175 unq 1 iso 0 dist 9.45659 7.77669 10.6973 8.06007 13.5565 3.63393 numMergedOcc 0
22 mol 175 unq 2 iso 0 dist 9.44856 7.77669 6.27043 8.06007 9.03819 3.63393 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.32829 6.49786 9.28746 7.32974 5.62024 4.30589 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 8.32829 8.43154 13.0583 7.32974 5.62024 8.75635 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 7.77535 6.96139 7.62375 9.53899 11.4905 4.00138 numMergedOcc 0
26 mol 217 unq 0 iso 0 dist 5.10683 5.60554 5.35865 7.94351 5.62746 4.23392 numMergedOcc 0
27 mol 219 unq 0 iso 0 dist 8.09769 9.38761 4.74167 8.58891 10.0702 9.62023 numMergedOcc 0
28 mol 219 unq 1 iso 0 dist 7.24832 9.38761 4.9853 8.58891 5.0824 9.62023 numMergedOcc 0
29 mol 228 unq 0 iso 0 dist 9.4597 4.55699 8.6798 6.9196 4.34361 5.63283 numMergedOcc 0
30 mol 228 unq 1 iso 0 dist 9.4597 7.75418 6.67162 6.9196 4.34361 6.2012 numMergedOcc 0
31 mol 228 unq 2 iso 0 dist 9.4597 8.10816 5.37846 6.9196 4.34361 3.65229 numMergedOcc 0
32 mol 228 unq 3 iso 0 dist 9.29603 7.95486 5.03713 6.72203 3.83677 3.62742 numMergedOcc 0
33 mol 228 unq 4 iso 0 dist 9.29603 4.42593 8.37385 6.72203 3.83677 5.34726 numMergedOcc 0
34 mol 228 unq 5 iso 0 dist 9.29603 7.33564 6.40555 6.72203 3.83677 5.64202 numMergedOcc 0
35 mol 272 unq 0 iso 0 dist 8.82094 6.52635 10.9667 9.87477 4.95884 10.2516 numMergedOcc 0
36 mol 273 unq 0 iso 0 dist 6.54753 6.59786 4.89568 8.13393 5.07045 3.40141 numMergedOcc 0
37 mol 273 unq 1 iso 0 dist 6.54753 7.96519 11.5447 8.13393 5.07045 9.36978 numMergedOcc 0
38 mol 293 unq 0 iso 0 dist 8.78835 5.88449 4.74164 7.15948 6.11795 5.66577 numMergedOcc 0
39 mol 293 unq 1 iso 0 dist 8.78835 7.2668 7.0683 7.15948 6.11795 10.547 numMergedOcc 0
