0 mol 1 unq 0 iso 0 dist 9.60596 9.01148 8.26708 15.5095 7.73435 10.5521 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.60596 9.01148 8.26708 9.93683 5.71995 7.15595 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 9.60596 12.4943 6.09918 15.5095 7.73435 7.4817 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 9.60596 12.4943 6.09918 9.93683 5.71995 7.63941 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 5.87266 5.41626 7.05346 6.06761 5.55437 6.119 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 9.60462 7.06965 7.05346 5.20712 5.55437 6.119 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 9.36946 10.172 7.9944 6.31651 5.38458 10.4817 numMergedOcc 0
7 mol 9 unq 3 iso 0 dist 9.36946 5.4068 7.032 6.31651 5.38458 7.51034 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 8.41365 6.92576 7.48847 4.99617 7.69625 8.19436 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 8.41365 13.4414 6.92532 4.99617 7.69625 10.3648 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 8.41365 10.5285 6.36455 4.99617 7.69625 6.49317 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 13.3639 9.38831 6.58998 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 5.78238 5.641 7.83786 13.3639 9.38831 11.0493 numMergedOcc 0
13 mol 43 unq 0 iso 0 dist 9.33162 9.97169 8.44903 4.91809 7.31982 5.64171 numMergedOcc 0
14 mol 43 unq 1 iso 0 dist 9.41473 6.6796 9.93832 5.31824 7.31982 7.05402 numMergedOcc 0
15 mol 43 unq 2 iso 0 dist 9.41473 10.2523 8.60739 5.31824 7.31982 5.48048 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 9.23537 15.1847 8.03303 15.2389 8.58543 8.92736 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 9.53053 7.6662 8.86674 12.3077 8.48184 6.89636 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 9.53053 7.6662 8.86674 12.4732 9.01011 6.09514 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 9.07229 10.6381 8.41611 6.07527 5.73236 10.8441 numMergedOcc 0
20 mol 156 unq 0 iso 0 dist 8.99141 5.73002 9.43259 13.0334 5.90883 10.7023 numMergedOcc 0
21 mol 156 unq 1 iso 0 dist 5.85349 5.65865 9.31851 6.00736 4.9941 10.7975 numMergedOcc 0
22 mol 156 unq 2 iso 0 dist 5.85349 5.65865 9.31851 13.0334 8.06913 13.6634 numMergedOcc 0
23 mol 156 unq 3 iso 0 dist 5.85349 5.73002 6.2319 6.00736 4.9941 5.71107 numMergedOcc 0
24 mol 156 unq 4 iso 0 dist 5.85349 5.73002 6.2319 13.0334 8.06913 10.7023 numMergedOcc 0
25 mol 156 unq 5 iso 0 dist 5.85349 11.2941 9.97732 6.00736 4.9941 11.2067 numMergedOcc 0
26 mol 156 unq 6 iso 0 dist 5.85349 11.2941 9.97732 13.0334 8.06913 9.00862 numMergedOcc 0
27 mol 156 unq 7 iso 0 dist 8.86912 7.46358 5.38091 6.85562 5.90883 6.44255 numMergedOcc 0
28 mol 156 unq 8 iso 0 dist 8.86912 7.46358 5.38091 8.40013 8.06913 5.82636 numMergedOcc 0
29 mol 156 unq 9 iso 0 dist 8.60938 16.8259 9.43259 6.88531 5.90883 10.7023 numMergedOcc 0
30 mol 171 unq 0 iso 0 dist 7.11599 12.3586 7.71426 10.6794 7.82546 4.44751 numMergedOcc 0
31 mol 171 unq 1 iso 0 dist 7.11599 9.45239 5.10618 10.6794 7.82546 9.61561 numMergedOcc 0
32 mol 171 unq 2 iso 0 dist 7.11599 6.08244 9.86681 10.6794 7.82546 10.2067 numMergedOcc 0
33 mol 175 unq 0 iso 0 dist 5.32236 5.96451 8.0154 11.9192 7.32419 12.3408 numMergedOcc 0
34 mol 175 unq 1 iso 0 dist 5.32236 5.96451 8.0154 11.0956 8.31961 8.68081 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 9.51006 10.568 7.20574 8.13761 7.55358 12.7155 numMergedOcc 0
36 mol 186 unq 1 iso 0 dist 9.51006 10.568 7.20574 7.15821 8.87818 11.2142 numMergedOcc 0
37 mol 186 unq 2 iso 0 dist 9.51006 11.1286 6.85302 8.13761 7.55358 9.97575 numMergedOcc 0
38 mol 186 unq 3 iso 0 dist 9.51006 11.1286 6.85302 7.15821 8.87818 7.92653 numMergedOcc 0
39 mol 186 unq 4 iso 0 dist 9.05979 7.10544 9.56197 6.46459 7.55358 9.27818 numMergedOcc 0
40 mol 186 unq 5 iso 0 dist 9.05979 7.10544 9.56197 11.9182 7.60991 9.55926 numMergedOcc 0
41 mol 186 unq 6 iso 0 dist 9.05979 10.591 7.24795 6.46459 7.55358 13.0197 numMergedOcc 0
42 mol 186 unq 7 iso 0 dist 9.05979 10.591 7.24795 11.9182 7.60991 12.9082 numMergedOcc 0
43 mol 186 unq 8 iso 0 dist 9.05979 8.86145 8.64409 6.46459 7.55358 4.37002 numMergedOcc 0
44 mol 186 unq 9 iso 0 dist 9.05979 8.86145 8.64409 11.9182 7.60991 4.64235 numMergedOcc 0
45 mol 186 unq 10 iso 0 dist 9.05979 10.8899 7.60202 6.46459 7.55358 9.72941 numMergedOcc 0
46 mol 186 unq 11 iso 0 dist 9.05979 10.8899 7.60202 11.9182 7.60991 5.39885 numMergedOcc 0
47 mol 186 unq 12 iso 0 dist 9.39664 5.43796 9.98215 10.763 7.60991 9.97575 numMergedOcc 0
48 mol 194 unq 0 iso 0 dist 9.13708 5.03763 6.26839 11.1809 5.52678 6.66155 numMergedOcc 0
49 mol 194 unq 1 iso 0 dist 9.13708 5.03763 6.26839 7.62027 9.81666 5.4499 numMergedOcc 0
50 mol 194 unq 2 iso 0 dist 9.13708 12.8318 8.12346 11.1809 5.52678 6.12973 numMergedOcc 0
51 mol 194 unq 3 iso 0 dist 9.13708 12.8318 8.12346 7.62027 9.81666 11.0239 numMergedOcc 0
52 mol 194 unq 4 iso 0 dist 9.13708 16.5287 8.83356 11.1809 5.52678 13.0333 numMergedOcc 0
53 mol 194 unq 5 iso 0 dist 9.13708 16.5287 8.83356 7.62027 9.81666 18.6469 numMergedOcc 0
54 mol 194 unq 6 iso 0 dist 9.13708 11.4735 8.2654 11.1809 5.52678 10.1796 numMergedOcc 0
55 mol 194 unq 7 iso 0 dist 9.13708 11.4735 8.2654 7.62027 9.81666 13.5457 numMergedOcc 0
56 mol 218 unq 0 iso 0 dist 9.71415 13.4459 8.86175 9.15607 9.06334 9.46742 numMergedOcc 0
57 mol 218 unq 1 iso 0 dist 9.71415 13.3081 6.29511 9.15607 9.06334 11.438 numMergedOcc 0
58 mol 227 unq 0 iso 0 dist 5.05201 9.08827 8.38865 11.6645 9.56257 10.5813 numMergedOcc 0
59 mol 227 unq 1 iso 0 dist 5.05201 5.70988 5.4694 11.6645 9.56257 7.22396 numMergedOcc 0
60 mol 235 unq 0 iso 0 dist 7.22411 10.6339 6.39158 9.94188 9.81305 5.72331 numMergedOcc 0
61 mol 235 unq 1 iso 0 dist 7.22411 10.6339 6.39158 4.73244 6.89118 8.33772 numMergedOcc 0
62 mol 235 unq 2 iso 0 dist 7.22411 6.25956 7.75722 9.94188 9.81305 12.6437 numMergedOcc 0
63 mol 235 unq 3 iso 0 dist 7.22411 6.25956 7.75722 4.73244 6.89118 5.70265 numMergedOcc 0
64 mol 252 unq 0 iso 0 dist 6.88874 5.26867 6.86945 7.37634 8.55481 7.63376 numMergedOcc 0
65 mol 294 unq 0 iso 0 dist 8.11918 5.25596 7.91611 6.08162 7.41079 6.21267 numMergedOcc 0
