0 mol 7 unq 0 iso 0 dist 6.22892 12.1855 9.87885 14.5008 13.2247 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.22805 12.2255 9.67164 13.3926 12.2041 5.99459 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.04834 5.37568 7.65889 8.17898 10.2656 6.42835 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 8.17898 5.37568 6.42835 9.04834 10.2656 7.65889 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 8.17898 9.62324 6.57331 10.6491 6.92781 8.43054 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.23292 10.985 9.49421 17.4517 10.9391 9.48085 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 8.37503 10.5203 6.74179 9.91056 5.34368 6.07517 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 6.87176 8.41932 7.39665 14.3324 14.224 9.8703 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 5.57389 8.95801 7.39665 17.9364 14.224 9.8703 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.30194 11.1632 7.4369 10.392 5.4148 9.73086 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.79954 11.5216 9.73086 10.4766 5.4148 7.4369 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 7.01889 16.3376 9.73086 10.997 5.4148 7.4369 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 9.99029 14.4224 6.85523 11.477 7.19663 8.65848 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 9.25163 3.42334 7.51139 10.751 12.1547 7.80898 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.26838 8.32734 8.27883 12.6673 6.59884 7.7152 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 8.46734 11.3914 7.86666 19.8603 17.2949 9.77497 numMergedOcc 0
16 mol 109 unq 1 iso 0 dist 7.4371 5.28562 9.77497 11.898 17.2949 7.86666 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 8.35164 6.13615 9.02706 9.43616 4.8896 8.47988 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 8.35164 4.49971 9.39168 9.43616 4.8896 8.0427 numMergedOcc 0
19 mol 112 unq 2 iso 0 dist 9.43616 6.13615 8.47988 8.35164 4.8896 9.02706 numMergedOcc 0
20 mol 112 unq 3 iso 0 dist 9.43616 4.49971 8.0427 8.35164 4.8896 9.39168 numMergedOcc 0
21 mol 132 unq 0 iso 0 dist 6.2403 11.6543 6.89918 8.34869 4.35917 7.89457 numMergedOcc 0
22 mol 132 unq 1 iso 0 dist 8.34869 11.6543 7.89457 6.2403 4.35917 6.89918 numMergedOcc 0
23 mol 132 unq 2 iso 0 dist 6.495 7.05332 6.89918 9.43748 4.35917 7.89457 numMergedOcc 0
24 mol 132 unq 3 iso 0 dist 9.43748 7.05332 7.89457 6.495 4.35917 6.89918 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 7.15203 5.94578 8.26547 11.0475 5.61668 9.05342 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 5.67862 10.8891 7.93372 16.1802 10.7144 9.66543 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 5.67862 10.8891 7.93372 10.738 5.49782 7.21868 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 6.98781 6.78963 6.41689 13.2339 6.8016 9.07758 numMergedOcc 0
29 mol 170 unq 0 iso 0 dist 7.15418 10.4801 9.08274 14.7831 8.56034 9.51256 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 6.99623 13.4486 9.3498 11.2207 6.83796 7.05695 numMergedOcc 0
31 mol 186 unq 1 iso 0 dist 7.45401 5.85073 6.61112 12.9799 7.09479 8.90571 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 6.57849 6.31671 8.4844 11.8897 10.817 7.21137 numMergedOcc 0
33 mol 219 unq 0 iso 0 dist 9.68515 9.32356 4.33238 12.6018 7.02195 7.83604 numMergedOcc 0
34 mol 219 unq 1 iso 0 dist 8.09769 4.74338 4.33238 7.24832 7.02195 7.83604 numMergedOcc 0
35 mol 219 unq 2 iso 0 dist 6.75833 6.17123 4.33238 13.0653 7.02195 7.83604 numMergedOcc 0
36 mol 219 unq 3 iso 0 dist 7.24832 4.74338 7.83604 8.09769 7.02195 4.33238 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 7.25658 4.69994 6.99769 10.8312 6.77699 8.79428 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 7.25658 4.69994 6.99769 11.1589 11.328 6.8692 numMergedOcc 0
39 mol 229 unq 0 iso 0 dist 8.0007 6.80826 6.95201 12.776 7.0298 7.27993 numMergedOcc 0
40 mol 229 unq 1 iso 0 dist 8.0007 6.80826 6.95201 13.2981 6.54885 9.51168 numMergedOcc 0
41 mol 234 unq 0 iso 0 dist 9.67966 5.07724 5.64285 11.6069 10.2693 7.81215 numMergedOcc 0
42 mol 239 unq 0 iso 0 dist 9.27989 3.28983 6.73665 12.015 11.347 9.34438 numMergedOcc 0
43 mol 239 unq 1 iso 0 dist 9.27989 3.28983 6.73665 11.3081 7.97994 9.35949 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 6.96379 8.41608 9.46361 11.1532 6.96053 6.95511 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 6.80096 8.11813 9.58916 10.9135 8.96144 5.90924 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 6.80096 8.11813 9.58916 13.9818 14.3597 5.90058 numMergedOcc 0
47 mol 280 unq 0 iso 0 dist 9.26066 8.13853 6.02353 12.5331 5.51836 6.86234 numMergedOcc 0
