0 mol 8 unq 0 iso 0 dist 9.00925 8.89145 5.7343 9.31461 15.5014 11.4855 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.00925 6.92865 11.3728 9.31461 15.5014 5.96331 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.3147 7.78708 9.38012 9.97466 15.257 8.32752 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 9.3147 7.84393 10.5285 9.97466 15.257 6.3033 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 9.79426 7.78708 9.55318 9.97466 4.78277 8.32752 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 9.79426 7.84393 9.84922 9.97466 4.78277 6.3033 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 7.83595 8.37503 6.40527 7.88072 7.22162 9.52037 numMergedOcc 0
7 mol 41 unq 0 iso 0 dist 8.28673 4.68793 10.9806 7.7727 4.85755 9.50094 numMergedOcc 0
8 mol 42 unq 0 iso 0 dist 8.84148 8.52254 6.73507 7.53194 4.80255 3.53534 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 8.36915 5.36645 8.03277 5.43913 5.44336 3.63758 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 8.36915 5.36645 8.03277 8.26877 10.4965 6.88863 numMergedOcc 0
11 mol 48 unq 2 iso 0 dist 6.01454 5.36645 9.26483 5.43913 9.12054 3.63758 numMergedOcc 0
12 mol 48 unq 3 iso 0 dist 6.01454 5.36645 9.26483 8.26877 13.688 6.88863 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 7.02693 8.69689 3.85805 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 5.39171 6.30194 5.2774 7.02693 8.69689 5.17781 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 9.27355 4.24428 9.76331 7.02693 8.0072 3.85805 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 9.27355 6.30194 5.44275 7.02693 8.0072 5.17781 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 8.60363 4.24428 10.4402 7.02693 9.61302 3.85805 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 8.60363 6.30194 8.0624 7.02693 9.61302 5.17781 numMergedOcc 0
19 mol 127 unq 0 iso 0 dist 8.98151 6.65963 5.38 9.64136 4.24788 7.73234 numMergedOcc 0
20 mol 127 unq 1 iso 0 dist 8.98151 8.62711 6.75619 9.64136 4.24788 3.97136 numMergedOcc 0
21 mol 140 unq 0 iso 0 dist 9.92335 9.41832 8.78908 7.82005 4.00168 9.54649 numMergedOcc 0
22 mol 140 unq 1 iso 0 dist 9.92335 5.44596 4.83408 7.82005 4.00168 4.56057 numMergedOcc 0
23 mol 140 unq 2 iso 0 dist 9.92335 9.69069 12.2686 7.82005 4.00168 9.9108 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 6.68364 5.30872 5.4432 8.10681 9.19685 7.20921 numMergedOcc 0
25 mol 162 unq 0 iso 0 dist 8.98459 9.89142 6.89489 9.88912 4.06355 4.51281 numMergedOcc 0
26 mol 162 unq 1 iso 0 dist 8.98459 9.89142 6.89489 9.46218 11.8004 15.4787 numMergedOcc 0
27 mol 162 unq 2 iso 0 dist 8.98459 8.06091 11.0054 9.88912 4.06355 9.2459 numMergedOcc 0
28 mol 162 unq 3 iso 0 dist 8.98459 8.06091 11.0054 9.46218 11.8004 8.29751 numMergedOcc 0
29 mol 167 unq 0 iso 0 dist 9.82329 8.58946 13.1346 8.43955 9.16459 6.13061 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 8.6609 6.73365 6.15969 8.06007 12.9272 12.5746 numMergedOcc 0
31 mol 175 unq 1 iso 0 dist 8.6609 9.45659 11.0866 8.06007 12.9272 13.5565 numMergedOcc 0
32 mol 175 unq 2 iso 0 dist 8.6609 9.44856 13.5907 8.06007 12.9272 9.03819 numMergedOcc 0
33 mol 175 unq 3 iso 0 dist 6.21546 6.73365 5.50014 8.06007 7.97895 12.5746 numMergedOcc 0
34 mol 175 unq 4 iso 0 dist 6.21546 9.45659 7.39186 8.06007 7.97895 13.5565 numMergedOcc 0
35 mol 175 unq 5 iso 0 dist 6.21546 9.44856 7.05768 8.06007 7.97895 9.03819 numMergedOcc 0
36 mol 175 unq 6 iso 0 dist 6.03184 6.73365 7.28617 8.06007 9.57126 12.5746 numMergedOcc 0
37 mol 175 unq 7 iso 0 dist 6.03184 9.45659 5.77256 8.06007 9.57126 13.5565 numMergedOcc 0
38 mol 175 unq 8 iso 0 dist 6.03184 9.44856 4.96871 8.06007 9.57126 9.03819 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 7.02662 6.99623 6.3719 9.12589 9.6014 4.42375 numMergedOcc 0
40 mol 186 unq 1 iso 0 dist 9.08767 9.08672 5.17355 5.97886 11.6447 11.0596 numMergedOcc 0
41 mol 206 unq 0 iso 0 dist 4.51269 9.19263 5.12592 5.73198 4.22218 4.94346 numMergedOcc 0
42 mol 206 unq 1 iso 0 dist 7.65323 9.19263 7.40413 5.73198 3.57449 4.94346 numMergedOcc 0
43 mol 214 unq 0 iso 0 dist 9.81136 8.47248 4.82712 9.59498 9.67136 6.07496 numMergedOcc 0
44 mol 214 unq 1 iso 0 dist 7.25293 8.47248 7.84001 9.59498 4.99827 6.07496 numMergedOcc 0
45 mol 219 unq 0 iso 0 dist 4.67452 8.09769 10.0509 8.58891 5.15128 10.0702 numMergedOcc 0
46 mol 219 unq 1 iso 0 dist 4.67452 7.24832 5.48556 8.58891 5.15128 5.0824 numMergedOcc 0
47 mol 230 unq 0 iso 0 dist 6.88683 8.33847 6.87235 8.01593 7.62813 10.043 numMergedOcc 0
48 mol 231 unq 0 iso 0 dist 7.28719 9.98232 5.3251 8.37596 5.70599 8.58535 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 6.74214 8.89538 10.4952 8.62485 6.17041 5.7648 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 6.74214 8.89538 10.4952 9.37688 3.90516 9.56124 numMergedOcc 0
51 mol 238 unq 2 iso 0 dist 6.74214 7.98022 6.62361 8.62485 6.17041 9.79922 numMergedOcc 0
52 mol 238 unq 3 iso 0 dist 6.74214 7.98022 6.62361 9.37688 3.90516 8.38175 numMergedOcc 0
53 mol 238 unq 4 iso 0 dist 5.33462 8.89538 7.22173 8.62485 4.51854 5.7648 numMergedOcc 0
54 mol 238 unq 5 iso 0 dist 5.33462 8.89538 7.22173 9.37688 5.3726 9.56124 numMergedOcc 0
55 mol 238 unq 6 iso 0 dist 5.33462 7.98022 5.96552 8.62485 4.51854 9.79922 numMergedOcc 0
56 mol 238 unq 7 iso 0 dist 5.33462 7.98022 5.96552 9.37688 5.3726 8.38175 numMergedOcc 0
57 mol 253 unq 0 iso 0 dist 9.58767 8.07341 11.4733 9.31626 7.64377 9.46115 numMergedOcc 0
58 mol 253 unq 1 iso 0 dist 9.58767 8.07341 11.4733 9.77366 4.87368 10.3603 numMergedOcc 0
59 mol 265 unq 0 iso 0 dist 9.56472 7.54805 15.4199 6.18698 12.1988 5.94366 numMergedOcc 0
60 mol 265 unq 1 iso 0 dist 6.5072 7.54805 12.4903 6.18698 8.25438 5.94366 numMergedOcc 0
61 mol 265 unq 2 iso 0 dist 4.03921 7.54805 5.11366 6.18698 4.75288 5.94366 numMergedOcc 0
62 mol 266 unq 0 iso 0 dist 9.58577 7.72749 10.2159 9.32456 3.42311 7.64118 numMergedOcc 0
63 mol 274 unq 0 iso 0 dist 6.12202 9.81087 7.96313 8.67957 12.2201 10.7853 numMergedOcc 0
64 mol 279 unq 0 iso 0 dist 5.78017 6.47376 5.34376 9.98182 6.3791 5.84996 numMergedOcc 0
65 mol 279 unq 1 iso 0 dist 8.78203 6.47376 5.86731 9.98182 9.86569 5.84996 numMergedOcc 0
66 mol 280 unq 0 iso 0 dist 7.02503 8.40961 8.10688 7.00616 3.76721 4.51188 numMergedOcc 0
67 mol 280 unq 1 iso 0 dist 9.18164 9.42213 8.10688 9.19653 3.76721 4.51188 numMergedOcc 0
