0 mol 8 unq 0 iso 0 dist 8.68949 6.04779 7.74386 6.88402 8.70858 6.17523 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.91082 6.03194 8.34508 8.92262 6.56599 5.57487 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.52643 7.59945 5.45684 11.5903 7.7933 10.1246 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 8.52643 13.3239 7.76644 11.5903 7.7933 11.269 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 5.41357 5.65551 5.45684 6.10515 7.7933 10.1246 numMergedOcc 0
5 mol 64 unq 3 iso 0 dist 5.41357 9.81422 7.76644 6.10515 7.7933 11.269 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.45777 10.345 6.85356 7.17416 8.49022 5.41354 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 7.45777 14.1204 7.32265 7.17416 8.49022 15.5344 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.06641 6.3566 7.94379 4.46847 8.95044 4.74096 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 6.59407 8.59214 7.08934 8.08223 8.8048 4.55959 numMergedOcc 0
10 mol 162 unq 1 iso 0 dist 6.59407 7.46189 9.43135 8.08223 8.8048 8.29433 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 9.8755 7.00425 7.8052 11.9518 8.45742 12.1909 numMergedOcc 0
12 mol 165 unq 1 iso 0 dist 7.21397 6.27901 7.8052 9.55225 8.45742 12.1909 numMergedOcc 0
13 mol 165 unq 2 iso 0 dist 8.46714 9.20479 7.8052 4.37998 8.45742 12.1909 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 8.97652 4.92164 9.84649 13.7069 8.55287 12.0052 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 6.72718 11.315 9.60838 9.77203 7.46024 5.2504 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 9.64195 8.91219 7.89026 9.9268 9.3526 4.83589 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 7.03925 6.1168 5.07376 11.3098 7.26162 5.56344 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 6.23677 8.8161 8.96263 4.10214 7.49889 12.6215 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 6.23677 8.8161 8.96263 6.78713 9.89345 6.78064 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 9.04741 9.46987 8.96263 8.4959 7.49889 12.6215 numMergedOcc 0
21 mol 224 unq 4 iso 0 dist 9.04741 9.46987 8.96263 10.2748 9.89345 6.78064 numMergedOcc 0
22 mol 224 unq 5 iso 0 dist 7.31608 3.92881 8.96263 9.93861 7.49889 12.6215 numMergedOcc 0
23 mol 224 unq 6 iso 0 dist 7.31608 3.92881 8.96263 7.09867 9.89345 6.78064 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 8.86185 10.1043 7.80073 7.57139 6.98781 7.1782 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 4.64178 7.70076 8.1195 10.8902 8.75924 16.7945 numMergedOcc 0
26 mol 243 unq 1 iso 0 dist 9.16988 16.6703 8.1195 5.83664 8.75924 16.7945 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 9.86267 8.46595 9.78704 5.92281 9.60653 11.7961 numMergedOcc 0
