0 mol 12 unq 0 iso 0 dist 8.8993 5.44478 8.27891 5.70264 5.25583 8.15864 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 7.55718 6.57749 6.26086 9.09097 12.131 6.12267 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 7.55718 6.57749 6.26086 7.29064 9.43192 8.43162 numMergedOcc 0
3 mol 96 unq 0 iso 0 dist 8.94847 5.5851 6.04753 9.81613 9.25941 8.9056 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 9.66944 5.72494 4.37349 5.40051 10.385 7.66418 numMergedOcc 0
5 mol 103 unq 1 iso 0 dist 9.66944 8.70106 9.29681 5.40051 10.385 8.078 numMergedOcc 0
6 mol 103 unq 2 iso 0 dist 9.66944 8.70106 9.29681 14.0531 15.168 6.56481 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.85882 6.53758 8.08411 7.28525 10.2635 6.08846 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 8.85882 5.23223 4.4747 7.28525 10.2635 9.19171 numMergedOcc 0
9 mol 157 unq 0 iso 0 dist 7.78927 6.66184 6.72897 7.20013 6.97303 6.8976 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 6.72322 8.66056 10.0941 12.9207 10.1425 9.38856 numMergedOcc 0
11 mol 158 unq 1 iso 0 dist 6.72322 8.34722 11.799 10.6035 17.1729 9.96635 numMergedOcc 0
12 mol 160 unq 0 iso 0 dist 5.83519 5.13415 4.62125 4.95728 10.2307 8.1876 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 8.86262 7.03216 10.4612 4.60682 13.3286 8.27913 numMergedOcc 0
14 mol 182 unq 1 iso 0 dist 8.86262 9.42196 13.4338 4.60682 13.3286 8.85111 numMergedOcc 0
15 mol 182 unq 2 iso 0 dist 7.23874 7.03216 5.3582 4.60682 10.1561 8.27913 numMergedOcc 0
16 mol 182 unq 3 iso 0 dist 7.23874 9.42196 8.2857 4.60682 10.1561 8.85111 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.44978 9.67207 12.9784 4.64973 12.0899 6.2016 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 9.44978 9.67207 12.9784 6.57816 12.1962 8.3453 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 6.13127 9.3369 8.75176 13.6696 16.7659 9.90757 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 6.83804 5.2376 5.0997 7.16053 10.6506 6.80214 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 6.4889 9.31855 5.3246 11.2871 11.9364 8.19645 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 9.24924 6.89455 9.94666 9.33643 15.511 9.28067 numMergedOcc 0
23 mol 283 unq 1 iso 0 dist 9.24924 8.821 10.1755 12.3485 18.4616 9.243 numMergedOcc 0
24 mol 283 unq 2 iso 0 dist 9.24924 9.82337 12.098 9.33643 15.511 5.71075 numMergedOcc 0
25 mol 283 unq 3 iso 0 dist 9.72248 8.07626 9.94666 6.76599 15.511 9.28067 numMergedOcc 0
26 mol 283 unq 4 iso 0 dist 9.72248 6.3448 12.098 6.76599 15.511 5.71075 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 7.41633 5.62295 12.6047 10.8669 17.157 7.74965 numMergedOcc 0
28 mol 284 unq 1 iso 0 dist 5.52837 5.62295 10.936 10.8669 16.1417 7.74965 numMergedOcc 0
29 mol 284 unq 2 iso 0 dist 6.73163 5.62295 10.1049 10.8669 16.6723 7.74965 numMergedOcc 0
