0 mol 12 unq 0 iso 0 dist 5.44478 5.70264 8.15864 8.8993 8.27891 5.25583 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.54285 9.81441 7.34681 14.7765 9.26114 8.58468 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.83248 10.3387 8.84944 14.4038 6.81531 8.54999 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 6.57749 7.29064 8.43162 7.55718 6.26086 9.43192 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 9.21945 7.97622 8.9056 10.1823 6.04753 9.25941 numMergedOcc 0
5 mol 96 unq 1 iso 0 dist 5.5851 9.81613 8.9056 8.94847 6.04753 9.25941 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 5.72494 5.40051 7.66418 10.3369 6.01015 8.88177 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 8.70106 5.40051 8.078 10.3369 5.87263 8.88177 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 8.74019 5.14974 6.53824 10.6909 8.38134 5.58346 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 8.74019 5.14974 6.53824 10.0677 5.88698 6.24768 numMergedOcc 0
10 mol 116 unq 2 iso 0 dist 8.74019 6.40614 6.61973 10.6909 8.38134 7.09179 numMergedOcc 0
11 mol 116 unq 3 iso 0 dist 8.74019 6.40614 6.61973 10.0677 5.88698 9.31875 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 6.31232 8.28232 7.18976 15.083 12.0208 8.45451 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 7.14447 9.07803 9.39389 12.7206 6.84485 9.20977 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 4.46578 10.008 8.76088 14.5509 15.6785 8.61918 numMergedOcc 0
15 mol 157 unq 0 iso 0 dist 6.66184 7.20013 6.8976 7.78927 6.72897 6.97303 numMergedOcc 0
16 mol 157 unq 1 iso 0 dist 6.66184 7.20013 6.8976 11.0091 7.17345 9.37761 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 8.34722 10.6035 9.96635 13.4736 8.85571 6.33118 numMergedOcc 0
18 mol 187 unq 0 iso 0 dist 5.26804 6.31943 5.58167 11.0272 6.06679 9.383 numMergedOcc 0
19 mol 189 unq 0 iso 0 dist 9.71306 8.18227 9.47321 10.2084 6.34597 9.46859 numMergedOcc 0
20 mol 189 unq 1 iso 0 dist 9.20296 8.18227 6.38294 10.2084 4.50095 9.46859 numMergedOcc 0
21 mol 192 unq 0 iso 0 dist 9.67207 4.64973 6.2016 12.6036 4.2039 8.27545 numMergedOcc 0
