0 mol 76 unq 0 iso 0 dist 6.72869 10.2879 9.85905 4.85247 7.46095 6.45686 5.31985 9.59729 15.4159 10.1364 numMergedOcc 0
1 mol 76 unq 0 iso 1 dist 9.85905 10.2879 6.72869 6.45686 7.46095 4.85247 15.4159 9.59729 5.31985 10.1364 numMergedOcc 0
2 mol 105 unq 0 iso 0 dist 9.16718 5.68291 7.94633 11.0132 7.77089 9.96719 4.4598 9.17843 8.50101 13.4342 numMergedOcc 0
3 mol 105 unq 0 iso 1 dist 7.94633 5.68291 9.16718 9.96719 7.77089 11.0132 8.50101 9.17843 4.4598 13.4342 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 9.89083 7.15843 8.52024 10.0688 7.56755 7.74599 10.9531 9.09348 4.69373 5.92927 numMergedOcc 0
5 mol 109 unq 0 iso 1 dist 8.52024 7.15843 9.89083 7.74599 7.56755 10.0688 4.69373 9.09348 10.9531 5.92927 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.7988 4.97527 9.40824 6.41459 8.06134 7.18484 11.0625 6.96745 14.5726 10.3457 numMergedOcc 0
7 mol 112 unq 0 iso 1 dist 9.40824 4.97527 7.7988 7.18484 8.06134 6.41459 14.5726 6.96745 11.0625 10.3457 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.7988 4.97527 9.40824 7.64054 5.36587 10.9474 11.0625 6.96745 14.5726 3.99855 numMergedOcc 0
9 mol 112 unq 1 iso 1 dist 9.40824 4.97527 7.7988 10.9474 5.36587 7.64054 14.5726 6.96745 11.0625 3.99855 numMergedOcc 0
10 mol 112 unq 2 iso 0 dist 7.7988 6.34999 4.22363 6.41459 8.06134 4.35926 11.0625 6.96745 9.05551 10.3457 numMergedOcc 0
11 mol 112 unq 2 iso 1 dist 4.22363 6.34999 7.7988 4.35926 8.06134 6.41459 9.05551 6.96745 11.0625 10.3457 numMergedOcc 0
12 mol 112 unq 3 iso 0 dist 7.7988 6.34999 4.22363 7.64054 5.36587 5.76098 11.0625 6.96745 9.05551 3.99855 numMergedOcc 0
13 mol 112 unq 3 iso 1 dist 4.22363 6.34999 7.7988 5.76098 5.36587 7.64054 9.05551 6.96745 11.0625 3.99855 numMergedOcc 0
14 mol 112 unq 2 iso 0 dist 9.40824 6.72751 4.22363 7.18484 8.06134 4.35926 14.5726 6.96745 9.05551 10.3457 numMergedOcc 0
15 mol 112 unq 2 iso 1 dist 4.22363 6.72751 9.40824 4.35926 8.06134 7.18484 9.05551 6.96745 14.5726 10.3457 numMergedOcc 0
16 mol 112 unq 3 iso 0 dist 9.40824 6.72751 4.22363 10.9474 5.36587 5.76098 14.5726 6.96745 9.05551 3.99855 numMergedOcc 0
17 mol 112 unq 3 iso 1 dist 4.22363 6.72751 9.40824 5.76098 5.36587 10.9474 9.05551 6.96745 14.5726 3.99855 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.10524 14.069 9.00918 6.98221 7.83568 14.2198 15.3018 8.14226 5.03507 15.3699 numMergedOcc 0
19 mol 134 unq 0 iso 1 dist 9.00918 14.069 9.10524 14.2198 7.83568 6.98221 5.03507 8.14226 15.3018 15.3699 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.66543 5.62899 7.21868 7.1797 9.0176 4.57832 4.46337 8.62504 7.41373 6.93712 numMergedOcc 0
21 mol 134 unq 1 iso 1 dist 7.21868 5.62899 9.66543 4.57832 9.0176 7.1797 7.41373 8.62504 4.46337 6.93712 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 9.66543 10.7144 7.93372 7.1797 9.0176 5.29786 4.46337 8.62504 10.8635 6.93712 numMergedOcc 0
23 mol 134 unq 2 iso 1 dist 7.93372 10.7144 9.66543 5.29786 9.0176 7.1797 10.8635 8.62504 4.46337 6.93712 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 7.21868 5.49782 7.93372 4.57832 9.0176 5.29786 7.41373 8.62504 10.8635 6.93712 numMergedOcc 0
25 mol 134 unq 2 iso 1 dist 7.93372 5.49782 7.21868 5.29786 9.0176 4.57832 10.8635 8.62504 7.41373 6.93712 numMergedOcc 0
26 mol 170 unq 0 iso 0 dist 9.08274 8.56034 9.51256 9.275 6.47164 4.34698 6.86812 8.75024 5.7304 5.04147 numMergedOcc 0
27 mol 170 unq 0 iso 1 dist 9.51256 8.56034 9.08274 4.34698 6.47164 9.275 5.7304 8.75024 6.86812 5.04147 numMergedOcc 0
28 mol 170 unq 1 iso 0 dist 9.08274 8.56034 9.51256 12.5696 9.65126 5.75144 6.86812 8.75024 5.7304 10.518 numMergedOcc 0
29 mol 170 unq 1 iso 1 dist 9.51256 8.56034 9.08274 5.75144 9.65126 12.5696 5.7304 8.75024 6.86812 10.518 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.01624 11.5866 5.05973 7.20191 5.99437 5.48529 5.42158 9.92831 10.0773 6.16988 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 5.05973 11.5866 9.01624 5.48529 5.99437 7.20191 10.0773 9.92831 5.42158 6.16988 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 5.23634 5.22356 6.91318 6.35849 9.18728 10.204 4.664 8.85955 8.49509 8.62578 numMergedOcc 0
33 mol 227 unq 0 iso 1 dist 6.91318 5.22356 5.23634 10.204 9.18728 6.35849 8.49509 8.85955 4.664 8.62578 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 5.23634 5.22356 6.91318 6.35849 9.18728 10.204 4.1511 6.09335 4.69247 10.5007 numMergedOcc 0
35 mol 227 unq 1 iso 1 dist 6.91318 5.22356 5.23634 10.204 9.18728 6.35849 4.69247 6.09335 4.1511 10.5007 numMergedOcc 0
36 mol 227 unq 2 iso 0 dist 5.23634 5.22356 6.91318 10.9607 8.91971 9.72615 4.664 8.85955 8.49509 15.624 numMergedOcc 0
37 mol 227 unq 2 iso 1 dist 6.91318 5.22356 5.23634 9.72615 8.91971 10.9607 8.49509 8.85955 4.664 15.624 numMergedOcc 0
38 mol 227 unq 3 iso 0 dist 5.23634 5.22356 6.91318 10.9607 8.91971 9.72615 4.1511 6.09335 4.69247 12.8337 numMergedOcc 0
39 mol 227 unq 3 iso 1 dist 6.91318 5.22356 5.23634 9.72615 8.91971 10.9607 4.69247 6.09335 4.1511 12.8337 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 8.19317 7.218 5.1823 6.82855 8.97952 6.46722 9.72447 6.03081 4.21867 10.6687 numMergedOcc 0
41 mol 235 unq 0 iso 1 dist 5.1823 7.218 8.19317 6.46722 8.97952 6.82855 4.21867 6.03081 9.72447 10.6687 numMergedOcc 0
42 mol 235 unq 1 iso 0 dist 8.19317 7.218 5.1823 6.82855 8.97952 6.46722 12.983 7.41433 5.88852 10.6919 numMergedOcc 0
43 mol 235 unq 1 iso 1 dist 5.1823 7.218 8.19317 6.46722 8.97952 6.82855 5.88852 7.41433 12.983 10.6919 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 9.57499 7.69449 5.46926 6.28695 9.26157 4.37645 11.2997 7.16209 4.40029 6.64795 numMergedOcc 0
45 mol 277 unq 0 iso 1 dist 5.46926 7.69449 9.57499 4.37645 9.26157 6.28695 4.40029 7.16209 11.2997 6.64795 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 9.57499 11.8268 8.9682 6.28695 9.26157 7.70529 11.2997 7.16209 3.97543 6.64795 numMergedOcc 0
47 mol 277 unq 1 iso 1 dist 8.9682 11.8268 9.57499 7.70529 9.26157 6.28695 3.97543 7.16209 11.2997 6.64795 numMergedOcc 0
48 mol 277 unq 1 iso 0 dist 5.46926 7.08227 8.9682 4.37645 9.26157 7.70529 4.40029 7.16209 3.97543 6.64795 numMergedOcc 0
49 mol 277 unq 1 iso 1 dist 8.9682 7.08227 5.46926 7.70529 9.26157 4.37645 3.97543 7.16209 4.40029 6.64795 numMergedOcc 0
