0 mol 55 unq 0 iso 0 dist 7.58788 6.63489 5.62629 11.7622 9.70148 5.33255 12.4931 5.55161 7.87739 8.94235 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 7.58788 6.37473 6.15118 11.7622 9.70148 9.70697 12.4931 5.55161 10.4637 8.94235 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.30431 16.966 9.94756 6.32949 9.62468 18.7183 14.1039 12.9303 19.3827 8.44473 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 4.628 4.71793 6.85094 6.32949 5.92705 7.15161 14.1039 13.2942 15.4195 8.44473 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.39171 6.13631 7.84699 10.5627 6.89722 13.4367 13.1329 7.92924 13.2901 7.23812 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 5.39171 12.6081 7.53504 10.5627 6.89722 9.64124 13.1329 7.92924 5.68894 7.23812 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.27355 6.13631 8.40844 10.5627 7.26679 13.4367 13.1329 5.4653 13.2901 7.23812 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 9.27355 16.1129 7.02351 10.5627 7.26679 10.3774 13.1329 5.4653 6.7939 7.23812 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 9.27355 12.6081 8.66342 10.5627 7.26679 9.64124 13.1329 5.4653 5.68894 7.23812 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 8.60363 6.13631 6.99156 16.3515 9.02288 16.0086 13.1329 7.09483 13.2901 5.36012 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 8.60363 6.13631 6.99156 16.3515 9.02288 16.0086 12.702 4.68175 10.8175 6.3777 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 8.60363 12.6081 7.21285 16.3515 9.02288 4.91508 13.1329 7.09483 5.68894 5.36012 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 8.60363 12.6081 7.21285 16.3515 9.02288 4.91508 12.702 4.68175 7.32265 6.3777 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 9.27331 11.9439 6.99156 12.3394 9.02288 16.0086 11.8571 7.09483 13.2901 5.36012 numMergedOcc 0
14 mol 73 unq 10 iso 0 dist 9.27331 11.9439 6.99156 12.3394 9.02288 16.0086 7.45777 4.68175 10.8175 6.3777 numMergedOcc 0
15 mol 73 unq 11 iso 0 dist 9.27331 14.1204 7.21285 12.3394 9.02288 4.91508 11.8571 7.09483 5.68894 5.36012 numMergedOcc 0
16 mol 73 unq 12 iso 0 dist 9.27331 14.1204 7.21285 12.3394 9.02288 4.91508 7.45777 4.68175 7.32265 6.3777 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 5.31281 7.22809 8.592 7.65733 7.25166 4.24853 9.45174 5.53478 8.75093 8.14429 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 9.89311 13.8587 8.21112 14.1114 7.07183 7.42296 13.3095 5.16703 12.5963 9.74671 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 9.89311 9.6353 7.06533 14.1114 7.07183 8.60418 13.3095 5.16703 12.1949 9.74671 numMergedOcc 0
20 mol 205 unq 2 iso 0 dist 9.89311 11.7852 5.94835 14.1114 7.07183 5.30941 13.3095 5.16703 7.09439 9.74671 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.81136 14.9808 5.69733 17.404 8.49704 5.68711 24.0171 17.1631 15.5551 9.92165 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 9.17355 15.9642 7.96759 8.70715 8.48112 16.2851 17.4946 14.1321 19.6835 9.9693 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 9.17355 5.10907 8.94384 8.70715 8.48112 10.3576 17.4946 14.1321 16.6237 9.9693 numMergedOcc 0
24 mol 220 unq 2 iso 0 dist 8.5434 14.8023 7.96759 8.22716 8.48112 16.2851 11.4104 14.1321 19.6835 9.9693 numMergedOcc 0
25 mol 220 unq 3 iso 0 dist 8.5434 5.61953 8.94384 8.22716 8.48112 10.3576 11.4104 14.1321 16.6237 9.9693 numMergedOcc 0
26 mol 220 unq 4 iso 0 dist 7.57712 6.40358 4.3362 6.19375 7.31105 9.20027 5.25149 10.1832 10.8891 5.39218 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 7.58998 9.07072 6.36813 6.87755 6.23882 5.25583 6.23677 6.88745 11.2656 7.49783 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 7.20862 15.6116 9.05082 10.5706 9.5723 10.78 16.5565 12.3913 8.24741 9.14028 numMergedOcc 0
29 mol 249 unq 0 iso 0 dist 6.18866 6.59067 5.66519 12.5843 7.29898 8.68833 16.2589 10.254 12.1703 6.26142 numMergedOcc 0
30 mol 249 unq 1 iso 0 dist 9.3807 6.59067 6.50067 12.5843 8.91685 8.68833 16.2589 8.81984 12.1703 6.26142 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 7.70189 5.79358 6.59521 9.78068 8.58088 5.13233 8.10903 5.27718 8.73425 9.04358 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 6.12202 5.64335 7.59956 7.23876 9.02749 11.3084 9.34051 10.3702 14.7727 8.88221 numMergedOcc 0
33 mol 274 unq 1 iso 0 dist 6.12202 5.64335 7.59956 7.23876 9.02749 11.3084 15.5776 14.5909 19.979 9.65027 numMergedOcc 0
34 mol 274 unq 2 iso 0 dist 6.12202 13.0534 8.05503 7.23876 9.02749 16.897 9.34051 10.3702 17.417 8.88221 numMergedOcc 0
35 mol 274 unq 3 iso 0 dist 6.12202 13.0534 8.05503 7.23876 9.02749 16.897 15.5776 14.5909 21.3244 9.65027 numMergedOcc 0
36 mol 274 unq 4 iso 0 dist 6.12202 9.24343 5.59151 7.23876 9.02749 13.8866 9.34051 10.3702 11.7974 8.88221 numMergedOcc 0
37 mol 274 unq 5 iso 0 dist 6.12202 9.24343 5.59151 7.23876 9.02749 13.8866 15.5776 14.5909 18.3035 9.65027 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 6.23539 13.1 9.42812 7.44724 6.90434 16.2915 6.66936 5.95045 13.9579 4.81916 numMergedOcc 0
39 mol 280 unq 0 iso 0 dist 7.3304 10.5216 9.9227 7.26698 8.85762 5.80223 14.1864 11.4101 6.38295 7.96485 numMergedOcc 0
40 mol 282 unq 0 iso 0 dist 7.93511 8.96033 6.40686 9.67023 5.67266 4.89059 15.7481 8.78407 11.34 7.71088 numMergedOcc 0
