0 mol 7 unq 0 iso 0 dist 6.66645 12.1978 5.72491 9.60361 8.0744 9.67164 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.66645 4.78012 7.88043 9.60361 8.0744 5.99459 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.22017 4.78012 8.80762 9.60361 11.7002 5.99459 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 7.70793 14.4127 6.82379 14.7124 8.64248 6.56356 numMergedOcc 0
4 mol 13 unq 0 iso 0 dist 7.56303 10.9053 8.43325 16.5716 9.75022 9.45635 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 6.98291 6.32132 6.6492 6.04822 7.41888 7.52933 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 6.98291 6.32132 6.6492 10.2544 8.89681 6.55597 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 6.98291 6.32132 6.6492 13.3146 6.97709 9.71956 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 6.98291 6.32132 6.6492 10.7389 5.5511 7.07751 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 6.98291 6.32132 6.6492 7.72717 4.38027 8.23761 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 6.98291 6.32132 6.6492 15.1167 11.7199 9.49421 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 9.32155 7.23774 8.44903 5.19462 4.69849 6.66407 numMergedOcc 0
12 mol 56 unq 0 iso 0 dist 6.59067 11.5896 8.63486 19.5051 15.8558 9.2898 numMergedOcc 0
13 mol 56 unq 1 iso 0 dist 8.58057 9.16445 6.77886 15.8931 10.5332 9.03564 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 8.04921 8.71681 7.55695 8.93538 5.71764 8.4312 numMergedOcc 0
15 mol 60 unq 1 iso 0 dist 8.04921 6.05904 8.82176 10.3936 12.9345 9.95132 numMergedOcc 0
16 mol 60 unq 2 iso 0 dist 8.04921 6.05904 8.82176 8.93538 5.71764 7.48086 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 8.96048 8.71142 7.12017 16.2638 13.4027 7.82475 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 8.96048 8.71142 7.12017 13.2761 12.068 5.35782 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 9.2746 6.63018 7.99857 12.1398 6.29394 6.99446 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 9.2746 9.23197 8.56342 12.1398 6.29394 7.64052 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 6.78772 7.862 6.69515 11.7388 5.25982 8.07097 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 7.77159 14.466 7.72144 21.6582 14.4682 8.33439 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 5.81013 7.08175 9.18895 10.7029 6.47351 9.7982 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 6.52129 5.65307 5.52379 11.8382 6.50998 9.07475 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 6.52129 5.65307 5.52379 10.998 5.63944 6.99888 numMergedOcc 0
