0 mol 30 unq 0 iso 0 dist 7.45133 8.51496 4.96793 5.80534 8.78977 8.7139 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 9.96175 8.17655 12.4018 9.00872 6.46405 9.83579 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 9.96175 6.47416 5.71329 9.00872 6.46405 5.29018 numMergedOcc 0
3 mol 79 unq 2 iso 0 dist 9.96175 8.0255 9.59013 9.00872 6.46405 3.94064 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 6.26491 6.85867 6.60008 8.56269 3.13977 9.33803 numMergedOcc 0
5 mol 88 unq 1 iso 0 dist 6.26491 6.85867 6.60008 9.40699 9.8511 5.46401 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.28161 6.37888 4.76916 5.48163 4.5216 3.98877 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 4.98783 5.62309 5.60494 7.29864 7.64986 3.79182 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 4.98783 5.62309 5.60494 7.7399 4.5216 8.93569 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 4.98783 7.11438 4.76916 7.29864 7.64986 9.74373 numMergedOcc 0
10 mol 92 unq 4 iso 0 dist 4.98783 7.11438 4.76916 7.7399 4.5216 3.98877 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 8.55124 7.4518 11.6667 5.10693 7.41642 4.34681 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 8.55124 7.4518 11.6667 6.58814 6.51388 5.73248 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 8.55124 7.4518 11.6667 6.13459 10.4066 13.5809 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 8.55124 7.4518 11.6667 7.54391 7.0544 14.149 numMergedOcc 0
15 mol 93 unq 4 iso 0 dist 8.55124 9.1687 5.0847 5.10693 7.41642 9.11796 numMergedOcc 0
16 mol 93 unq 5 iso 0 dist 8.55124 9.1687 5.0847 6.58814 6.51388 7.24672 numMergedOcc 0
17 mol 93 unq 6 iso 0 dist 8.55124 9.1687 5.0847 6.13459 10.4066 10.6039 numMergedOcc 0
18 mol 93 unq 7 iso 0 dist 8.55124 9.1687 5.0847 7.54391 7.0544 6.48338 numMergedOcc 0
19 mol 98 unq 0 iso 0 dist 7.55531 8.41411 10.5027 8.73928 8.09756 3.61204 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 9.15172 5.37302 11.6513 7.08403 12.174 3.52111 numMergedOcc 0
21 mol 116 unq 0 iso 0 dist 8.51507 7.6005 7.11876 8.24233 5.28688 4.13755 numMergedOcc 0
22 mol 163 unq 0 iso 0 dist 6.96837 9.62943 8.83719 9.37245 10.2516 9.10855 numMergedOcc 0
23 mol 180 unq 0 iso 0 dist 9.26812 9.54753 7.93391 6.91244 8.6624 9.19793 numMergedOcc 0
24 mol 180 unq 1 iso 0 dist 9.26812 8.79411 10.1364 6.91244 8.6624 3.77126 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 9.08655 8.03512 8.39273 8.76748 5.30387 9.87573 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 8.21479 9.41148 13.3182 9.67243 5.87373 9.85068 numMergedOcc 0
27 mol 232 unq 1 iso 0 dist 8.21479 7.83422 8.15893 9.67243 5.87373 12.3471 numMergedOcc 0
28 mol 244 unq 0 iso 0 dist 8.19381 5.79898 11.4169 5.16859 5.2958 10.1665 numMergedOcc 0
29 mol 244 unq 1 iso 0 dist 8.19381 5.79898 11.4169 4.79207 7.02866 5.68434 numMergedOcc 0
30 mol 244 unq 2 iso 0 dist 8.93421 5.79898 12.7764 5.16859 11.2661 10.1665 numMergedOcc 0
31 mol 244 unq 3 iso 0 dist 8.93421 5.79898 12.7764 4.79207 13.4101 5.68434 numMergedOcc 0
32 mol 244 unq 4 iso 0 dist 7.35657 5.79898 12.7037 5.16859 7.64875 10.1665 numMergedOcc 0
33 mol 244 unq 5 iso 0 dist 7.35657 5.79898 12.7037 4.79207 11.5997 5.68434 numMergedOcc 0
34 mol 244 unq 6 iso 0 dist 6.19605 5.79898 8.63792 5.16859 9.20762 10.1665 numMergedOcc 0
35 mol 244 unq 7 iso 0 dist 6.19605 5.79898 8.63792 4.79207 9.06024 5.68434 numMergedOcc 0
36 mol 247 unq 0 iso 0 dist 6.14554 6.18065 6.96883 4.78189 4.90304 8.67313 numMergedOcc 0
37 mol 260 unq 0 iso 0 dist 6.23198 5.68717 6.93843 7.88108 5.76999 3.60349 numMergedOcc 0
38 mol 260 unq 1 iso 0 dist 6.23198 5.68717 6.93843 9.46576 12.9904 7.28821 numMergedOcc 0
