0 mol 1 unq 0 iso 0 dist 9.60596 9.01148 8.26708 12.4943 6.09918 5.92202 15.5095 7.73435 10.5521 7.4817 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 9.60596 12.4943 6.09918 9.01148 8.26708 5.92202 15.5095 7.73435 7.4817 10.5521 numMergedOcc 0
2 mol 1 unq 1 iso 0 dist 9.60596 9.01148 8.26708 12.4943 6.09918 5.92202 9.93683 5.71995 7.15595 7.63941 numMergedOcc 0
3 mol 1 unq 1 iso 1 dist 9.60596 12.4943 6.09918 9.01148 8.26708 5.92202 9.93683 5.71995 7.63941 7.15595 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.36946 10.172 7.9944 5.4068 7.032 5.06358 6.31651 5.38458 10.4817 7.51034 numMergedOcc 0
5 mol 9 unq 0 iso 1 dist 9.36946 5.4068 7.032 10.172 7.9944 5.06358 6.31651 5.38458 7.51034 10.4817 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 8.41365 6.92576 7.48847 13.4414 6.92532 10.8007 4.99617 7.69625 8.19436 10.3648 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 8.41365 13.4414 6.92532 6.92576 7.48847 10.8007 4.99617 7.69625 10.3648 8.19436 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 8.41365 6.92576 7.48847 10.5285 6.36455 10.6598 4.99617 7.69625 8.19436 6.49317 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 8.41365 10.5285 6.36455 6.92576 7.48847 10.6598 4.99617 7.69625 6.49317 8.19436 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 8.41365 13.4414 6.92532 10.5285 6.36455 5.03957 4.99617 7.69625 10.3648 6.49317 numMergedOcc 0
11 mol 19 unq 1 iso 1 dist 8.41365 10.5285 6.36455 13.4414 6.92532 5.03957 4.99617 7.69625 6.49317 10.3648 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 5.641 7.83786 7.05502 13.3639 9.38831 6.58998 11.0493 numMergedOcc 0
13 mol 24 unq 0 iso 1 dist 5.78238 5.641 7.83786 9.59761 6.60423 7.05502 13.3639 9.38831 11.0493 6.58998 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 9.41473 6.6796 9.93832 10.2523 8.60739 8.13395 5.31824 7.31982 7.05402 5.48048 numMergedOcc 0
15 mol 43 unq 0 iso 1 dist 9.41473 10.2523 8.60739 6.6796 9.93832 8.13395 5.31824 7.31982 5.48048 7.05402 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 5.85349 5.65865 9.31851 5.73002 6.2319 7.14831 6.00736 4.9941 10.7975 5.71107 numMergedOcc 0
17 mol 156 unq 0 iso 1 dist 5.85349 5.73002 6.2319 5.65865 9.31851 7.14831 6.00736 4.9941 5.71107 10.7975 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 5.85349 5.65865 9.31851 5.73002 6.2319 7.14831 13.0334 8.06913 13.6634 10.7023 numMergedOcc 0
19 mol 156 unq 1 iso 1 dist 5.85349 5.73002 6.2319 5.65865 9.31851 7.14831 13.0334 8.06913 10.7023 13.6634 numMergedOcc 0
20 mol 156 unq 2 iso 0 dist 5.85349 5.65865 9.31851 11.2941 9.97732 9.98789 6.00736 4.9941 10.7975 11.2067 numMergedOcc 0
21 mol 156 unq 2 iso 1 dist 5.85349 11.2941 9.97732 5.65865 9.31851 9.98789 6.00736 4.9941 11.2067 10.7975 numMergedOcc 0
22 mol 156 unq 3 iso 0 dist 5.85349 5.65865 9.31851 11.2941 9.97732 9.98789 13.0334 8.06913 13.6634 9.00862 numMergedOcc 0
23 mol 156 unq 3 iso 1 dist 5.85349 11.2941 9.97732 5.65865 9.31851 9.98789 13.0334 8.06913 9.00862 13.6634 numMergedOcc 0
24 mol 156 unq 2 iso 0 dist 5.85349 5.73002 6.2319 11.2941 9.97732 6.31306 6.00736 4.9941 5.71107 11.2067 numMergedOcc 0
25 mol 156 unq 2 iso 1 dist 5.85349 11.2941 9.97732 5.73002 6.2319 6.31306 6.00736 4.9941 11.2067 5.71107 numMergedOcc 0
26 mol 156 unq 3 iso 0 dist 5.85349 5.73002 6.2319 11.2941 9.97732 6.31306 13.0334 8.06913 10.7023 9.00862 numMergedOcc 0
27 mol 156 unq 3 iso 1 dist 5.85349 11.2941 9.97732 5.73002 6.2319 6.31306 13.0334 8.06913 9.00862 10.7023 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 7.11599 12.3586 7.71426 9.45239 5.10618 7.31409 10.6794 7.82546 4.44751 9.61561 numMergedOcc 0
29 mol 171 unq 0 iso 1 dist 7.11599 9.45239 5.10618 12.3586 7.71426 7.31409 10.6794 7.82546 9.61561 4.44751 numMergedOcc 0
30 mol 171 unq 1 iso 0 dist 7.11599 12.3586 7.71426 6.08244 9.86681 13.6814 10.6794 7.82546 4.44751 10.2067 numMergedOcc 0
31 mol 171 unq 1 iso 1 dist 7.11599 6.08244 9.86681 12.3586 7.71426 13.6814 10.6794 7.82546 10.2067 4.44751 numMergedOcc 0
32 mol 171 unq 1 iso 0 dist 7.11599 9.45239 5.10618 6.08244 9.86681 13.7214 10.6794 7.82546 9.61561 10.2067 numMergedOcc 0
33 mol 171 unq 1 iso 1 dist 7.11599 6.08244 9.86681 9.45239 5.10618 13.7214 10.6794 7.82546 10.2067 9.61561 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 9.51006 10.568 7.20574 11.1286 6.85302 5.74635 8.13761 7.55358 12.7155 9.97575 numMergedOcc 0
35 mol 186 unq 0 iso 1 dist 9.51006 11.1286 6.85302 10.568 7.20574 5.74635 8.13761 7.55358 9.97575 12.7155 numMergedOcc 0
36 mol 186 unq 1 iso 0 dist 9.51006 10.568 7.20574 11.1286 6.85302 5.74635 7.15821 8.87818 11.2142 7.92653 numMergedOcc 0
37 mol 186 unq 1 iso 1 dist 9.51006 11.1286 6.85302 10.568 7.20574 5.74635 7.15821 8.87818 7.92653 11.2142 numMergedOcc 0
38 mol 186 unq 2 iso 0 dist 9.05979 7.10544 9.56197 10.591 7.24795 9.41955 6.46459 7.55358 9.27818 13.0197 numMergedOcc 0
39 mol 186 unq 2 iso 1 dist 9.05979 10.591 7.24795 7.10544 9.56197 9.41955 6.46459 7.55358 13.0197 9.27818 numMergedOcc 0
40 mol 186 unq 3 iso 0 dist 9.05979 7.10544 9.56197 10.591 7.24795 9.41955 11.9182 7.60991 9.55926 12.9082 numMergedOcc 0
41 mol 186 unq 3 iso 1 dist 9.05979 10.591 7.24795 7.10544 9.56197 9.41955 11.9182 7.60991 12.9082 9.55926 numMergedOcc 0
42 mol 186 unq 4 iso 0 dist 9.05979 7.10544 9.56197 8.86145 8.64409 8.04815 6.46459 7.55358 9.27818 4.37002 numMergedOcc 0
43 mol 186 unq 4 iso 1 dist 9.05979 8.86145 8.64409 7.10544 9.56197 8.04815 6.46459 7.55358 4.37002 9.27818 numMergedOcc 0
44 mol 186 unq 5 iso 0 dist 9.05979 7.10544 9.56197 8.86145 8.64409 8.04815 11.9182 7.60991 9.55926 4.64235 numMergedOcc 0
45 mol 186 unq 5 iso 1 dist 9.05979 8.86145 8.64409 7.10544 9.56197 8.04815 11.9182 7.60991 4.64235 9.55926 numMergedOcc 0
46 mol 186 unq 6 iso 0 dist 9.05979 7.10544 9.56197 10.8899 7.60202 5.92513 6.46459 7.55358 9.27818 9.72941 numMergedOcc 0
47 mol 186 unq 6 iso 1 dist 9.05979 10.8899 7.60202 7.10544 9.56197 5.92513 6.46459 7.55358 9.72941 9.27818 numMergedOcc 0
48 mol 186 unq 7 iso 0 dist 9.05979 7.10544 9.56197 10.8899 7.60202 5.92513 11.9182 7.60991 9.55926 5.39885 numMergedOcc 0
49 mol 186 unq 7 iso 1 dist 9.05979 10.8899 7.60202 7.10544 9.56197 5.92513 11.9182 7.60991 5.39885 9.55926 numMergedOcc 0
50 mol 186 unq 4 iso 0 dist 9.05979 10.591 7.24795 8.86145 8.64409 13.684 6.46459 7.55358 13.0197 4.37002 numMergedOcc 0
51 mol 186 unq 4 iso 1 dist 9.05979 8.86145 8.64409 10.591 7.24795 13.684 6.46459 7.55358 4.37002 13.0197 numMergedOcc 0
52 mol 186 unq 5 iso 0 dist 9.05979 10.591 7.24795 8.86145 8.64409 13.684 11.9182 7.60991 12.9082 4.64235 numMergedOcc 0
53 mol 186 unq 5 iso 1 dist 9.05979 8.86145 8.64409 10.591 7.24795 13.684 11.9182 7.60991 4.64235 12.9082 numMergedOcc 0
54 mol 186 unq 6 iso 0 dist 9.05979 10.591 7.24795 10.8899 7.60202 9.45987 6.46459 7.55358 13.0197 9.72941 numMergedOcc 0
55 mol 186 unq 6 iso 1 dist 9.05979 10.8899 7.60202 10.591 7.24795 9.45987 6.46459 7.55358 9.72941 13.0197 numMergedOcc 0
56 mol 186 unq 7 iso 0 dist 9.05979 10.591 7.24795 10.8899 7.60202 9.45987 11.9182 7.60991 12.9082 5.39885 numMergedOcc 0
57 mol 186 unq 7 iso 1 dist 9.05979 10.8899 7.60202 10.591 7.24795 9.45987 11.9182 7.60991 5.39885 12.9082 numMergedOcc 0
58 mol 186 unq 6 iso 0 dist 9.05979 8.86145 8.64409 10.8899 7.60202 7.18269 6.46459 7.55358 4.37002 9.72941 numMergedOcc 0
59 mol 186 unq 6 iso 1 dist 9.05979 10.8899 7.60202 8.86145 8.64409 7.18269 6.46459 7.55358 9.72941 4.37002 numMergedOcc 0
60 mol 186 unq 7 iso 0 dist 9.05979 8.86145 8.64409 10.8899 7.60202 7.18269 11.9182 7.60991 4.64235 5.39885 numMergedOcc 0
61 mol 186 unq 7 iso 1 dist 9.05979 10.8899 7.60202 8.86145 8.64409 7.18269 11.9182 7.60991 5.39885 4.64235 numMergedOcc 0
62 mol 194 unq 0 iso 0 dist 9.13708 5.03763 6.26839 12.8318 8.12346 8.0179 11.1809 5.52678 6.66155 6.12973 numMergedOcc 0
63 mol 194 unq 0 iso 1 dist 9.13708 12.8318 8.12346 5.03763 6.26839 8.0179 11.1809 5.52678 6.12973 6.66155 numMergedOcc 0
64 mol 194 unq 1 iso 0 dist 9.13708 5.03763 6.26839 12.8318 8.12346 8.0179 7.62027 9.81666 5.4499 11.0239 numMergedOcc 0
65 mol 194 unq 1 iso 1 dist 9.13708 12.8318 8.12346 5.03763 6.26839 8.0179 7.62027 9.81666 11.0239 5.4499 numMergedOcc 0
66 mol 194 unq 2 iso 0 dist 9.13708 5.03763 6.26839 16.5287 8.83356 14.6506 11.1809 5.52678 6.66155 13.0333 numMergedOcc 0
67 mol 194 unq 2 iso 1 dist 9.13708 16.5287 8.83356 5.03763 6.26839 14.6506 11.1809 5.52678 13.0333 6.66155 numMergedOcc 0
68 mol 194 unq 3 iso 0 dist 9.13708 5.03763 6.26839 16.5287 8.83356 14.6506 7.62027 9.81666 5.4499 18.6469 numMergedOcc 0
69 mol 194 unq 3 iso 1 dist 9.13708 16.5287 8.83356 5.03763 6.26839 14.6506 7.62027 9.81666 18.6469 5.4499 numMergedOcc 0
70 mol 194 unq 4 iso 0 dist 9.13708 5.03763 6.26839 11.4735 8.2654 8.48054 11.1809 5.52678 6.66155 10.1796 numMergedOcc 0
71 mol 194 unq 4 iso 1 dist 9.13708 11.4735 8.2654 5.03763 6.26839 8.48054 11.1809 5.52678 10.1796 6.66155 numMergedOcc 0
72 mol 194 unq 5 iso 0 dist 9.13708 5.03763 6.26839 11.4735 8.2654 8.48054 7.62027 9.81666 5.4499 13.5457 numMergedOcc 0
73 mol 194 unq 5 iso 1 dist 9.13708 11.4735 8.2654 5.03763 6.26839 8.48054 7.62027 9.81666 13.5457 5.4499 numMergedOcc 0
74 mol 194 unq 2 iso 0 dist 9.13708 12.8318 8.12346 16.5287 8.83356 13.5632 11.1809 5.52678 6.12973 13.0333 numMergedOcc 0
75 mol 194 unq 2 iso 1 dist 9.13708 16.5287 8.83356 12.8318 8.12346 13.5632 11.1809 5.52678 13.0333 6.12973 numMergedOcc 0
76 mol 194 unq 3 iso 0 dist 9.13708 12.8318 8.12346 16.5287 8.83356 13.5632 7.62027 9.81666 11.0239 18.6469 numMergedOcc 0
77 mol 194 unq 3 iso 1 dist 9.13708 16.5287 8.83356 12.8318 8.12346 13.5632 7.62027 9.81666 18.6469 11.0239 numMergedOcc 0
78 mol 194 unq 4 iso 0 dist 9.13708 12.8318 8.12346 11.4735 8.2654 6.26298 11.1809 5.52678 6.12973 10.1796 numMergedOcc 0
79 mol 194 unq 4 iso 1 dist 9.13708 11.4735 8.2654 12.8318 8.12346 6.26298 11.1809 5.52678 10.1796 6.12973 numMergedOcc 0
80 mol 194 unq 5 iso 0 dist 9.13708 12.8318 8.12346 11.4735 8.2654 6.26298 7.62027 9.81666 11.0239 13.5457 numMergedOcc 0
81 mol 194 unq 5 iso 1 dist 9.13708 11.4735 8.2654 12.8318 8.12346 6.26298 7.62027 9.81666 13.5457 11.0239 numMergedOcc 0
82 mol 194 unq 4 iso 0 dist 9.13708 16.5287 8.83356 11.4735 8.2654 11.6097 11.1809 5.52678 13.0333 10.1796 numMergedOcc 0
83 mol 194 unq 4 iso 1 dist 9.13708 11.4735 8.2654 16.5287 8.83356 11.6097 11.1809 5.52678 10.1796 13.0333 numMergedOcc 0
84 mol 194 unq 5 iso 0 dist 9.13708 16.5287 8.83356 11.4735 8.2654 11.6097 7.62027 9.81666 18.6469 13.5457 numMergedOcc 0
85 mol 194 unq 5 iso 1 dist 9.13708 11.4735 8.2654 16.5287 8.83356 11.6097 7.62027 9.81666 13.5457 18.6469 numMergedOcc 0
86 mol 218 unq 0 iso 0 dist 9.71415 13.4459 8.86175 13.3081 6.29511 4.72474 9.15607 9.06334 9.46742 11.438 numMergedOcc 0
87 mol 218 unq 0 iso 1 dist 9.71415 13.3081 6.29511 13.4459 8.86175 4.72474 9.15607 9.06334 11.438 9.46742 numMergedOcc 0
88 mol 227 unq 0 iso 0 dist 5.05201 9.08827 8.38865 5.70988 5.4694 5.22356 11.6645 9.56257 10.5813 7.22396 numMergedOcc 0
89 mol 227 unq 0 iso 1 dist 5.05201 5.70988 5.4694 9.08827 8.38865 5.22356 11.6645 9.56257 7.22396 10.5813 numMergedOcc 0
90 mol 235 unq 0 iso 0 dist 7.22411 10.6339 6.39158 6.25956 7.75722 12.1984 9.94188 9.81305 5.72331 12.6437 numMergedOcc 0
91 mol 235 unq 0 iso 1 dist 7.22411 6.25956 7.75722 10.6339 6.39158 12.1984 9.94188 9.81305 12.6437 5.72331 numMergedOcc 0
92 mol 235 unq 1 iso 0 dist 7.22411 10.6339 6.39158 6.25956 7.75722 12.1984 4.73244 6.89118 8.33772 5.70265 numMergedOcc 0
93 mol 235 unq 1 iso 1 dist 7.22411 6.25956 7.75722 10.6339 6.39158 12.1984 4.73244 6.89118 5.70265 8.33772 numMergedOcc 0
