0 mol 7 unq 0 iso 0 dist 6.22805 5.85668 7.15434 13.6771 8.72114 10.7937 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.37503 6.78528 6.83481 7.07473 8.1284 5.2347 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 4.68793 11.44 8.52313 8.68242 8.51663 8.06801 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 7.16583 9.00615 8.2147 6.05353 9.81166 5.78327 numMergedOcc 0
4 mol 75 unq 1 iso 0 dist 7.118 10.7293 8.2147 9.08979 9.81166 5.78327 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 8.30169 9.53401 9.00902 6.11478 5.73743 8.07487 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 8.91983 13.4637 9.00902 6.42704 5.73743 8.07487 numMergedOcc 0
7 mol 124 unq 0 iso 0 dist 7.23052 9.2094 6.35314 5.34732 6.96281 7.64039 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.15203 8.86818 9.79004 5.86611 7.71248 13.2968 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 7.97208 6.50741 5.57904 15.4716 7.80532 12.4426 numMergedOcc 0
10 mol 174 unq 0 iso 0 dist 4.93781 7.64386 6.04817 10.4483 8.87569 10.981 numMergedOcc 0
11 mol 174 unq 1 iso 0 dist 4.93781 7.64386 6.04817 12.0746 9.87122 13.6211 numMergedOcc 0
12 mol 174 unq 2 iso 0 dist 9.32818 6.0574 6.04817 13.3134 8.87569 10.981 numMergedOcc 0
13 mol 174 unq 3 iso 0 dist 9.32818 6.0574 6.04817 16.4521 9.87122 13.6211 numMergedOcc 0
14 mol 174 unq 4 iso 0 dist 7.03029 5.38744 6.04817 6.97204 8.87569 10.981 numMergedOcc 0
15 mol 174 unq 5 iso 0 dist 7.03029 5.38744 6.04817 9.84841 9.87122 13.6211 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 6.53736 7.79985 8.71409 11.3924 7.10826 9.069 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 8.18851 9.95839 8.71409 8.48795 7.10826 9.069 numMergedOcc 0
18 mol 212 unq 0 iso 0 dist 7.87125 4.78007 9.47932 11.7484 9.74144 9.63106 numMergedOcc 0
19 mol 212 unq 1 iso 0 dist 7.87125 4.78007 9.47932 7.05237 8.69988 10.6561 numMergedOcc 0
20 mol 212 unq 2 iso 0 dist 7.87125 4.78007 9.47932 11.3998 8.55903 15.0782 numMergedOcc 0
21 mol 212 unq 3 iso 0 dist 7.87125 4.78007 9.47932 7.67532 7.15603 7.56072 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 8.69148 8.37449 5.47561 8.56453 7.67576 10.3328 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 8.69148 8.37449 5.47561 13.6076 9.82371 15.0445 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 7.47238 16.9546 9.95045 15.5413 9.05071 4.95971 numMergedOcc 0
25 mol 240 unq 0 iso 0 dist 6.01168 11.1967 9.68888 6.08726 6.68687 5.24149 numMergedOcc 0
26 mol 240 unq 1 iso 0 dist 6.83069 9.79222 9.68888 10.24 6.68687 5.24149 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.81087 9.24343 5.82876 13.6675 7.46394 4.48276 numMergedOcc 0
