0 mol 43 unq 0 iso 0 dist 8.80331 7.39848 9.86609 12.6657 9.02471 14.5234 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.80331 9.02471 12.6657 9.86609 7.39848 14.5234 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.81627 9.4278 7.93183 4.25144 7.4785 12.8031 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 6.81627 7.4785 4.25144 7.93183 9.4278 12.8031 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.32874 9.4278 10.7675 8.44881 8.34191 16.4188 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 7.32874 8.34191 8.44881 10.7675 9.4278 16.4188 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 7.32874 9.4278 10.7675 4.25144 6.39747 12.8031 numMergedOcc 0
7 mol 58 unq 2 iso 1 dist 7.32874 6.39747 4.25144 10.7675 9.4278 12.8031 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 7.9245 7.69072 3.46486 5.34874 9.85512 8.42738 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 7.9245 9.85512 5.34874 3.46486 7.69072 8.42738 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 7.9245 7.69072 3.46486 3.68023 8.97888 8.79979 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 7.9245 8.97888 3.68023 3.46486 7.69072 8.79979 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.95579 9.01812 8.37717 5.76272 8.04242 4.18248 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 7.95579 8.04242 5.76272 8.37717 9.01812 4.18248 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 5.86073 9.59585 13.0914 5.37655 7.02367 7.02358 numMergedOcc 0
15 mol 113 unq 0 iso 1 dist 5.86073 7.02367 5.37655 13.0914 9.59585 7.02358 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 5.86073 9.59585 13.0914 5.46207 9.30832 13.6813 numMergedOcc 0
17 mol 113 unq 1 iso 1 dist 5.86073 9.30832 5.46207 13.0914 9.59585 13.6813 numMergedOcc 0
18 mol 113 unq 2 iso 0 dist 5.86073 9.7073 12.5818 5.37655 7.02367 11.6135 numMergedOcc 0
19 mol 113 unq 2 iso 1 dist 5.86073 7.02367 5.37655 12.5818 9.7073 11.6135 numMergedOcc 0
20 mol 113 unq 3 iso 0 dist 5.86073 9.7073 12.5818 5.46207 9.30832 10.5565 numMergedOcc 0
21 mol 113 unq 3 iso 1 dist 5.86073 9.30832 5.46207 12.5818 9.7073 10.5565 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 5.39945 5.93278 3.98154 4.18693 4.76974 5.86379 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 5.39945 4.76974 4.18693 3.98154 5.93278 5.86379 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 5.39945 5.93278 3.98154 7.41059 8.0336 8.64686 numMergedOcc 0
25 mol 115 unq 1 iso 1 dist 5.39945 8.0336 7.41059 3.98154 5.93278 8.64686 numMergedOcc 0
26 mol 115 unq 2 iso 0 dist 5.39945 6.19918 6.61688 4.18693 4.76974 6.21029 numMergedOcc 0
27 mol 115 unq 2 iso 1 dist 5.39945 4.76974 4.18693 6.61688 6.19918 6.21029 numMergedOcc 0
28 mol 115 unq 3 iso 0 dist 5.39945 6.19918 6.61688 7.41059 8.0336 8.16325 numMergedOcc 0
29 mol 115 unq 3 iso 1 dist 5.39945 8.0336 7.41059 6.61688 6.19918 8.16325 numMergedOcc 0
30 mol 120 unq 0 iso 0 dist 6.44653 6.42623 3.824 5.61274 7.53694 7.84207 numMergedOcc 0
31 mol 120 unq 0 iso 1 dist 6.44653 7.53694 5.61274 3.824 6.42623 7.84207 numMergedOcc 0
32 mol 120 unq 1 iso 0 dist 6.44653 6.42623 3.824 3.35803 8.38358 6.98791 numMergedOcc 0
33 mol 120 unq 1 iso 1 dist 6.44653 8.38358 3.35803 3.824 6.42623 6.98791 numMergedOcc 0
34 mol 120 unq 2 iso 0 dist 6.44653 8.95899 4.96885 5.61274 7.53694 8.56947 numMergedOcc 0
35 mol 120 unq 2 iso 1 dist 6.44653 7.53694 5.61274 4.96885 8.95899 8.56947 numMergedOcc 0
36 mol 120 unq 3 iso 0 dist 6.44653 8.95899 4.96885 3.35803 8.38358 11.3644 numMergedOcc 0
37 mol 120 unq 3 iso 1 dist 6.44653 8.38358 3.35803 4.96885 8.95899 11.3644 numMergedOcc 0
38 mol 143 unq 0 iso 0 dist 5.99315 8.99891 9.14188 6.75249 8.64905 4.3855 numMergedOcc 0
39 mol 143 unq 0 iso 1 dist 5.99315 8.64905 6.75249 9.14188 8.99891 4.3855 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 8.56324 7.55934 9.73449 12.2243 9.00072 15.5471 numMergedOcc 0
41 mol 152 unq 0 iso 1 dist 8.56324 9.00072 12.2243 9.73449 7.55934 15.5471 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 9.7748 4.9764 11.8607 7.75371 5.69112 7.98956 numMergedOcc 0
43 mol 277 unq 0 iso 1 dist 9.7748 5.69112 7.75371 11.8607 4.9764 7.98956 numMergedOcc 0
44 mol 277 unq 1 iso 0 dist 9.7748 4.9764 11.8607 11.3546 7.2091 11.2004 numMergedOcc 0
45 mol 277 unq 1 iso 1 dist 9.7748 7.2091 11.3546 11.8607 4.9764 11.2004 numMergedOcc 0
46 mol 277 unq 2 iso 0 dist 9.7748 6.36559 10.9137 7.75371 5.69112 5.86185 numMergedOcc 0
47 mol 277 unq 2 iso 1 dist 9.7748 5.69112 7.75371 10.9137 6.36559 5.86185 numMergedOcc 0
48 mol 277 unq 3 iso 0 dist 9.7748 6.36559 10.9137 11.3546 7.2091 8.41856 numMergedOcc 0
49 mol 277 unq 3 iso 1 dist 9.7748 7.2091 11.3546 10.9137 6.36559 8.41856 numMergedOcc 0
