0 mol 13 unq 0 iso 0 dist 9.89755 10.8386 6.80844 7.1407 6.02651 5.07585 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.25761 12.1626 8.62527 13.6936 8.65828 4.21886 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 9.12845 9.21621 6.30541 4.66466 6.11574 4.68435 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 9.12845 7.08048 6.14602 4.66466 6.11574 4.0144 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.34695 8.88887 8.34361 9.34149 6.29755 14.1632 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 7.34695 8.88887 8.34361 13.5048 7.4038 15.4599 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 8.74608 6.13132 9.19382 5.91456 8.3814 7.38136 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 7.55911 4.15441 7.09617 13.3825 9.39801 14.3576 numMergedOcc 0
8 mol 99 unq 1 iso 0 dist 7.55911 4.15441 7.09617 6.06914 4.82346 4.95662 numMergedOcc 0
9 mol 99 unq 2 iso 0 dist 7.55911 4.15441 7.09617 6.72932 8.89165 6.88843 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 9.34944 4.65448 7.49276 6.14629 9.06599 5.49557 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 9.34814 5.42433 4.93595 9.25333 8.44321 5.64974 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 7.8826 11.7404 9.26812 11.5873 9.68557 18.158 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 5.06235 10.5116 7.43427 10.5955 9.11823 4.32641 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 5.06235 6.42212 7.50841 10.5955 9.11823 5.84356 numMergedOcc 0
15 mol 250 unq 0 iso 0 dist 6.28288 11.5257 8.52434 4.11548 8.59384 14.6432 numMergedOcc 0
16 mol 250 unq 1 iso 0 dist 6.28288 13.2104 8.63767 4.11548 8.59384 16.6108 numMergedOcc 0
17 mol 269 unq 0 iso 0 dist 8.38513 4.50547 5.51844 11.6414 7.76667 10.1928 numMergedOcc 0
18 mol 269 unq 1 iso 0 dist 7.7144 6.37646 5.51844 7.49114 7.76667 10.1928 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.67773 14.2506 9.86767 5.70751 9.60309 10.3798 numMergedOcc 0
