0 mol 34 unq 0 iso 0 dist 6.17472 5.3372 6.87871 11.9492 14.5506 7.78892 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 7.67459 8.75469 8.03754 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.53564 5.90113 9.74445 10.5084 8.75469 8.03754 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 5.62629 5.33255 9.70148 7.87739 5.55161 8.94235 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 6.15118 9.70697 9.70148 10.4637 5.55161 8.94235 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 4.96897 6.96065 5.83937 11.0376 7.3676 7.15352 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 6.85094 7.15161 5.92705 15.4195 13.2942 8.44473 numMergedOcc 0
7 mol 61 unq 1 iso 0 dist 9.94756 18.7183 9.62468 19.3827 12.9303 8.44473 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 13.2901 7.92924 7.23812 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.40844 13.4367 7.26679 13.2901 5.4653 7.23812 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.99156 16.0086 9.02288 13.2901 7.09483 5.36012 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 6.99156 16.0086 9.02288 10.8175 4.68175 6.3777 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 7.02351 10.3774 7.26679 6.7939 5.4653 7.23812 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 7.53504 9.64124 6.89722 5.68894 7.92924 7.23812 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 8.66342 9.64124 7.26679 5.68894 5.4653 7.23812 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 7.21285 4.91508 9.02288 5.68894 7.09483 5.36012 numMergedOcc 0
16 mol 73 unq 8 iso 0 dist 7.21285 4.91508 9.02288 7.32265 4.68175 6.3777 numMergedOcc 0
17 mol 73 unq 9 iso 0 dist 6.95094 4.91508 9.58544 5.68894 11.341 5.36012 numMergedOcc 0
18 mol 73 unq 10 iso 0 dist 6.95094 4.91508 9.58544 7.32265 10.0459 6.3777 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 8.592 4.24853 7.25166 8.75093 5.53478 8.14429 numMergedOcc 0
20 mol 122 unq 0 iso 0 dist 9.44209 11.9943 8.33083 20.0437 13.1171 8.75778 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 9.27341 7.53439 8.41774 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 8.21112 7.42296 7.07183 12.5963 5.16703 9.74671 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 7.06533 8.60418 7.07183 12.1949 5.16703 9.74671 numMergedOcc 0
24 mol 205 unq 2 iso 0 dist 5.94835 5.30941 7.07183 7.09439 5.16703 9.74671 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 15.5551 17.1631 9.92165 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 7.96759 16.2851 8.48112 19.6835 14.1321 9.9693 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 8.94384 10.3576 8.48112 16.6237 14.1321 9.9693 numMergedOcc 0
28 mol 220 unq 2 iso 0 dist 4.3362 9.20027 7.31105 10.8891 10.1832 5.39218 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 11.7342 13.6797 6.77368 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 7.10689 5.01062 8.7347 7.99609 9.50337 7.73634 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 4.99301 5.25583 6.56437 11.2656 11.5364 7.49783 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 6.36813 5.25583 6.23882 11.2656 6.88745 7.49783 numMergedOcc 0
33 mol 224 unq 2 iso 0 dist 7.7163 11.8217 9.34636 12.1661 9.9943 7.49783 numMergedOcc 0
34 mol 224 unq 3 iso 0 dist 9.06201 11.9904 9.34636 8.96263 9.9943 7.49783 numMergedOcc 0
35 mol 226 unq 0 iso 0 dist 9.05082 10.78 9.5723 8.24741 12.3913 9.14028 numMergedOcc 0
36 mol 248 unq 0 iso 0 dist 7.83878 5.68749 7.66519 7.51278 4.13513 8.98788 numMergedOcc 0
37 mol 249 unq 0 iso 0 dist 5.66519 8.68833 7.29898 12.1703 10.254 6.26142 numMergedOcc 0
38 mol 249 unq 1 iso 0 dist 6.50067 8.68833 8.91685 12.1703 8.81984 6.26142 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 6.59521 5.13233 8.58088 8.73425 5.27718 9.04358 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 5.96276 5.55516 5.90381 9.78704 7.53628 6.11671 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 7.59956 11.3084 9.02749 14.7727 10.3702 8.88221 numMergedOcc 0
42 mol 274 unq 1 iso 0 dist 7.59956 11.3084 9.02749 19.979 14.5909 9.65027 numMergedOcc 0
43 mol 274 unq 2 iso 0 dist 8.05503 16.897 9.02749 17.417 10.3702 8.88221 numMergedOcc 0
44 mol 274 unq 3 iso 0 dist 8.05503 16.897 9.02749 21.3244 14.5909 9.65027 numMergedOcc 0
45 mol 274 unq 4 iso 0 dist 5.59151 13.8866 9.02749 11.7974 10.3702 8.88221 numMergedOcc 0
46 mol 274 unq 5 iso 0 dist 5.59151 13.8866 9.02749 18.3035 14.5909 9.65027 numMergedOcc 0
47 mol 277 unq 0 iso 0 dist 9.42812 16.2915 6.90434 13.9579 5.95045 4.81916 numMergedOcc 0
48 mol 279 unq 0 iso 0 dist 8.66917 5.31331 8.13489 10.9187 12.9291 9.24472 numMergedOcc 0
49 mol 280 unq 0 iso 0 dist 9.9227 5.80223 8.85762 6.38295 11.4101 7.96485 numMergedOcc 0
50 mol 282 unq 0 iso 0 dist 6.40686 4.89059 5.67266 11.34 8.78407 7.71088 numMergedOcc 0
51 mol 282 unq 1 iso 0 dist 7.14443 4.89059 5.80981 11.34 5.33059 7.71088 numMergedOcc 0
