0 mol 55 unq 0 iso 0 dist 9.20445 6.87666 7.74108 10.1068 9.873 6.06485 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 8.45469 10.035 9.27092 7.42892 8.09973 5.68906 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 8.98691 7.08612 8.27456 5.9335 8.0675 3.94537 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 7.91934 6.7184 6.5258 7.60323 5.80831 9.05551 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 6.98104 13.0727 9.60425 7.44479 5.20001 6.57678 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 5.51129 7.86921 7.00798 3.82645 8.4375 8.26896 numMergedOcc 0
6 mol 129 unq 1 iso 0 dist 5.51129 7.86921 7.00798 5.75588 8.62413 12.1739 numMergedOcc 0
7 mol 129 unq 2 iso 0 dist 5.51129 7.86921 7.00798 4.18263 6.93102 5.63254 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 5.79433 5.08964 6.76166 13.9642 9.13631 11.5407 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 5.79433 10.9353 7.2977 13.9642 9.13631 5.91192 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 8.64781 7.02519 8.53451 13.2008 6.76896 12.6805 numMergedOcc 0
11 mol 146 unq 1 iso 0 dist 8.64781 7.05046 7.24965 13.2008 6.76896 8.33152 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 5.54887 4.94206 8.84116 8.58664 9.22792 12.9384 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 5.54887 4.94206 8.84116 6.419 7.85696 9.34394 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 5.54887 4.94206 8.84116 6.27088 5.00402 9.61375 numMergedOcc 0
15 mol 186 unq 3 iso 0 dist 5.54887 4.94206 8.84116 5.74816 6.17773 6.03488 numMergedOcc 0
16 mol 186 unq 4 iso 0 dist 5.54887 6.08428 8.16369 8.58664 9.22792 13.6489 numMergedOcc 0
17 mol 186 unq 5 iso 0 dist 5.54887 6.08428 8.16369 6.419 7.85696 12.4503 numMergedOcc 0
18 mol 186 unq 6 iso 0 dist 5.54887 6.08428 8.16369 6.27088 5.00402 11.5563 numMergedOcc 0
19 mol 186 unq 7 iso 0 dist 5.54887 6.08428 8.16369 5.74816 6.17773 10.3727 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 9.41577 7.79624 7.40081 16.4604 8.79662 10.0028 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 9.41577 7.79624 7.40081 12.4544 6.6497 5.77706 numMergedOcc 0
22 mol 241 unq 0 iso 0 dist 6.8951 6.14115 8.18588 5.9313 6.2767 11.1708 numMergedOcc 0
23 mol 241 unq 1 iso 0 dist 5.65753 12.1949 8.18588 4.61243 6.2767 11.1708 numMergedOcc 0
24 mol 241 unq 2 iso 0 dist 7.31224 14.3991 8.18588 6.31237 6.2767 11.1708 numMergedOcc 0
