0 mol 14 unq 0 iso 0 dist 8.64855 5.5336 7.0208 5.39895 7.28563 4.30684 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 8.64855 5.39895 7.28563 5.5336 7.0208 4.30684 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 9.2978 5.53781 8.69189 4.84965 6.41856 4.66547 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 9.2978 4.84965 6.41856 5.53781 8.69189 4.66547 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 7.48808 7.37842 9.93488 5.24786 7.88429 9.49416 numMergedOcc 0
5 mol 21 unq 0 iso 1 dist 7.48808 5.24786 7.88429 7.37842 9.93488 9.49416 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 8.27156 11.3515 9.58156 11.2658 7.59416 5.74934 numMergedOcc 0
7 mol 62 unq 0 iso 1 dist 8.27156 11.2658 7.59416 11.3515 9.58156 5.74934 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 8.07365 4.90339 9.17862 12.9365 8.27456 11.4493 numMergedOcc 0
9 mol 95 unq 0 iso 1 dist 8.07365 12.9365 8.27456 4.90339 9.17862 11.4493 numMergedOcc 0
10 mol 96 unq 0 iso 0 dist 6.21351 7.84409 6.19867 12.0865 8.35452 10.3248 numMergedOcc 0
11 mol 96 unq 0 iso 1 dist 6.21351 12.0865 8.35452 7.84409 6.19867 10.3248 numMergedOcc 0
12 mol 96 unq 1 iso 0 dist 9.93617 5.68919 6.19867 14.5513 8.35452 10.3248 numMergedOcc 0
13 mol 96 unq 1 iso 1 dist 9.93617 14.5513 8.35452 5.68919 6.19867 10.3248 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 5.06555 7.08572 8.20009 9.04066 8.14799 4.35802 numMergedOcc 0
15 mol 120 unq 0 iso 1 dist 5.06555 9.04066 8.14799 7.08572 8.20009 4.35802 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.94541 9.35663 8.75736 4.4033 6.76166 5.08237 numMergedOcc 0
17 mol 134 unq 0 iso 1 dist 8.94541 4.4033 6.76166 9.35663 8.75736 5.08237 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 7.30919 14.4662 8.75736 12.021 6.76166 5.08237 numMergedOcc 0
19 mol 134 unq 1 iso 1 dist 7.30919 12.021 6.76166 14.4662 8.75736 5.08237 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 8.04723 11.2444 7.14849 12.3996 8.63718 13.329 numMergedOcc 0
21 mol 178 unq 0 iso 1 dist 8.04723 12.3996 8.63718 11.2444 7.14849 13.329 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 9.23836 11.5727 7.84536 8.10415 7.07723 4.62996 numMergedOcc 0
23 mol 196 unq 0 iso 1 dist 9.23836 8.10415 7.07723 11.5727 7.84536 4.62996 numMergedOcc 0
24 mol 196 unq 1 iso 0 dist 9.23836 11.5727 7.84536 6.1798 6.40064 8.92195 numMergedOcc 0
25 mol 196 unq 1 iso 1 dist 9.23836 6.1798 6.40064 11.5727 7.84536 8.92195 numMergedOcc 0
26 mol 196 unq 1 iso 0 dist 9.23836 8.10415 7.07723 6.1798 6.40064 8.03618 numMergedOcc 0
27 mol 196 unq 1 iso 1 dist 9.23836 6.1798 6.40064 8.10415 7.07723 8.03618 numMergedOcc 0
28 mol 196 unq 2 iso 0 dist 9.36732 14.2286 7.23126 16.543 7.82805 8.17025 numMergedOcc 0
29 mol 196 unq 2 iso 1 dist 9.36732 16.543 7.82805 14.2286 7.23126 8.17025 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 7.80612 14.2037 8.69557 4.72507 4.89168 9.51432 numMergedOcc 0
31 mol 243 unq 0 iso 1 dist 7.80612 4.72507 4.89168 14.2037 8.69557 9.51432 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 6.94723 4.85466 7.1704 5.45852 5.59626 6.62546 numMergedOcc 0
33 mol 280 unq 0 iso 1 dist 6.94723 5.45852 5.59626 4.85466 7.1704 6.62546 numMergedOcc 0
34 mol 280 unq 1 iso 0 dist 6.52188 9.78637 7.1704 4.78798 5.59626 6.62546 numMergedOcc 0
35 mol 280 unq 1 iso 1 dist 6.52188 4.78798 5.59626 9.78637 7.1704 6.62546 numMergedOcc 0
