0 mol 55 unq 0 iso 0 dist 5.62629 8.34632 5.20168 5.33255 9.70148 11.2187 7.87739 5.55161 4.60627 8.94235 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 7.84699 8.40844 5.47475 13.4367 6.89722 7.26679 13.2901 7.92924 5.4653 7.23812 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.84699 6.99156 5.05066 13.4367 6.89722 10.1503 13.2901 7.92924 7.09483 7.23812 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.40844 7.84699 5.47475 13.4367 7.26679 6.89722 13.2901 5.4653 7.92924 7.23812 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 8.40844 6.99156 4.4628 13.4367 7.26679 10.1503 13.2901 5.4653 7.09483 7.23812 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 6.99156 7.84699 5.05066 16.0086 9.02288 11.1478 13.2901 7.09483 7.92924 5.36012 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 6.99156 7.84699 5.05066 16.0086 9.02288 11.1478 10.8175 4.68175 8.30433 6.3777 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 6.99156 8.40844 4.4628 16.0086 9.02288 9.75201 13.2901 7.09483 5.4653 5.36012 numMergedOcc 0
8 mol 73 unq 7 iso 0 dist 6.99156 8.40844 4.4628 16.0086 9.02288 9.75201 10.8175 4.68175 4.63063 6.3777 numMergedOcc 0
9 mol 73 unq 8 iso 0 dist 7.53504 8.66342 5.47475 9.64124 6.89722 7.26679 5.68894 7.92924 5.4653 7.23812 numMergedOcc 0
10 mol 73 unq 9 iso 0 dist 7.53504 7.21285 5.05066 9.64124 6.89722 10.1503 5.68894 7.92924 7.09483 7.23812 numMergedOcc 0
11 mol 73 unq 10 iso 0 dist 7.53504 6.95094 9.51715 9.64124 6.89722 14.918 5.68894 7.92924 11.341 7.23812 numMergedOcc 0
12 mol 73 unq 11 iso 0 dist 8.66342 7.53504 5.47475 9.64124 7.26679 6.89722 5.68894 5.4653 7.92924 7.23812 numMergedOcc 0
13 mol 73 unq 12 iso 0 dist 8.66342 7.21285 4.4628 9.64124 7.26679 10.1503 5.68894 5.4653 7.09483 7.23812 numMergedOcc 0
14 mol 73 unq 13 iso 0 dist 8.66342 6.95094 11.6754 9.64124 7.26679 14.918 5.68894 5.4653 11.341 7.23812 numMergedOcc 0
15 mol 73 unq 14 iso 0 dist 7.21285 7.53504 5.05066 4.91508 9.02288 11.1478 5.68894 7.09483 7.92924 5.36012 numMergedOcc 0
16 mol 73 unq 15 iso 0 dist 7.21285 7.53504 5.05066 4.91508 9.02288 11.1478 7.32265 4.68175 8.30433 6.3777 numMergedOcc 0
17 mol 73 unq 16 iso 0 dist 7.21285 8.66342 4.4628 4.91508 9.02288 9.75201 5.68894 7.09483 5.4653 5.36012 numMergedOcc 0
18 mol 73 unq 17 iso 0 dist 7.21285 8.66342 4.4628 4.91508 9.02288 9.75201 7.32265 4.68175 4.63063 6.3777 numMergedOcc 0
19 mol 73 unq 18 iso 0 dist 7.21285 6.95094 7.64038 4.91508 9.02288 9.58544 5.68894 7.09483 11.341 5.36012 numMergedOcc 0
20 mol 73 unq 19 iso 0 dist 7.21285 6.95094 7.64038 4.91508 9.02288 9.58544 7.32265 4.68175 10.0459 6.3777 numMergedOcc 0
21 mol 73 unq 20 iso 0 dist 6.95094 7.53504 9.51715 4.91508 9.58544 11.1478 5.68894 11.341 7.92924 5.36012 numMergedOcc 0
22 mol 73 unq 21 iso 0 dist 6.95094 7.53504 9.51715 4.91508 9.58544 11.1478 7.32265 10.0459 8.30433 6.3777 numMergedOcc 0
23 mol 73 unq 22 iso 0 dist 6.95094 8.66342 11.6754 4.91508 9.58544 9.75201 5.68894 11.341 5.4653 5.36012 numMergedOcc 0
24 mol 73 unq 23 iso 0 dist 6.95094 8.66342 11.6754 4.91508 9.58544 9.75201 7.32265 10.0459 4.63063 6.3777 numMergedOcc 0
25 mol 73 unq 24 iso 0 dist 6.95094 7.21285 7.64038 4.91508 9.58544 9.02288 5.68894 11.341 7.09483 5.36012 numMergedOcc 0
26 mol 73 unq 25 iso 0 dist 6.95094 7.21285 7.64038 4.91508 9.58544 9.02288 7.32265 10.0459 4.68175 6.3777 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 5.94835 6.76947 6.26321 5.30941 7.07183 11.098 7.09439 5.16703 6.81258 9.74671 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 4.3362 5.51565 5.88344 9.20027 7.31105 10.2676 10.8891 10.1832 9.96224 5.39218 numMergedOcc 0
29 mol 224 unq 0 iso 0 dist 4.99301 6.36813 6.35724 5.25583 6.56437 6.23882 11.2656 11.5364 6.88745 7.49783 numMergedOcc 0
30 mol 224 unq 1 iso 0 dist 6.36813 4.99301 6.35724 5.25583 6.23882 6.56437 11.2656 6.88745 11.5364 7.49783 numMergedOcc 0
31 mol 224 unq 2 iso 0 dist 7.7163 9.2 5.75133 11.8217 9.34636 12.8171 12.1661 9.9943 15.4761 7.49783 numMergedOcc 0
32 mol 249 unq 0 iso 0 dist 5.66519 6.50067 5.2966 8.68833 7.29898 8.91685 12.1703 10.254 8.81984 6.26142 numMergedOcc 0
33 mol 249 unq 1 iso 0 dist 6.50067 5.66519 5.2966 8.68833 8.91685 7.29898 12.1703 8.81984 10.254 6.26142 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 8.05503 9.30966 11.568 16.897 9.02749 17.0107 17.417 10.3702 20.9273 8.88221 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 8.05503 9.30966 11.568 16.897 9.02749 17.0107 21.3244 14.5909 20.1442 9.65027 numMergedOcc 0
36 mol 274 unq 2 iso 0 dist 8.05503 5.38704 6.07831 16.897 9.02749 13.3926 17.417 10.3702 15.5347 8.88221 numMergedOcc 0
37 mol 274 unq 3 iso 0 dist 8.05503 5.38704 6.07831 16.897 9.02749 13.3926 21.3244 14.5909 17.0123 9.65027 numMergedOcc 0
38 mol 274 unq 4 iso 0 dist 5.59151 8.26695 6.07831 13.8866 9.02749 13.3926 11.7974 10.3702 15.5347 8.88221 numMergedOcc 0
39 mol 274 unq 5 iso 0 dist 5.59151 8.26695 6.07831 13.8866 9.02749 13.3926 18.3035 14.5909 17.0123 9.65027 numMergedOcc 0
40 mol 274 unq 6 iso 0 dist 5.59151 8.17922 12.757 13.8866 9.02749 18.734 11.7974 10.3702 13.5999 8.88221 numMergedOcc 0
41 mol 274 unq 7 iso 0 dist 5.59151 8.17922 12.757 13.8866 9.02749 18.734 18.3035 14.5909 23.0859 9.65027 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 9.42812 8.83777 11.4925 16.2915 6.90434 16.3185 13.9579 5.95045 12.2251 4.81916 numMergedOcc 0
43 mol 280 unq 0 iso 0 dist 9.9227 9.047 11.5166 5.80223 8.85762 13.1827 6.38295 11.4101 14.0927 7.96485 numMergedOcc 0
44 mol 282 unq 0 iso 0 dist 6.40686 7.14443 6.38894 4.89059 5.67266 5.80981 11.34 8.78407 5.33059 7.71088 numMergedOcc 0
45 mol 282 unq 1 iso 0 dist 7.14443 6.40686 6.38894 4.89059 5.80981 5.67266 11.34 5.33059 8.78407 7.71088 numMergedOcc 0
