0 mol 4 unq 0 iso 0 dist 5.31026 8.14612 7.77633 11.6636 7.02535 8.68164 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 8.6308 8.53951 8.48639 8.96446 3.78122 7.62463 numMergedOcc 0
2 mol 101 unq 0 iso 0 dist 9.1109 10.7386 9.85715 6.54699 5.42817 9.33112 numMergedOcc 0
3 mol 141 unq 0 iso 0 dist 8.51265 6.94742 4.33805 12.2003 4.20944 7.56563 numMergedOcc 0
4 mol 186 unq 0 iso 0 dist 8.09373 12.1879 9.82338 12.0743 5.56574 9.17458 numMergedOcc 0
5 mol 186 unq 1 iso 0 dist 8.09373 12.1879 9.82338 13.1355 7.76011 7.36794 numMergedOcc 0
6 mol 186 unq 2 iso 0 dist 8.09373 9.09562 7.99933 12.0743 5.56574 6.94594 numMergedOcc 0
7 mol 186 unq 3 iso 0 dist 8.09373 9.09562 7.99933 13.1355 7.76011 5.81881 numMergedOcc 0
8 mol 207 unq 0 iso 0 dist 4.55528 6.68112 6.06003 12.2794 8.77108 7.30153 numMergedOcc 0
9 mol 228 unq 0 iso 0 dist 9.85855 9.26026 9.94849 17.5313 13.1297 9.06403 numMergedOcc 0
10 mol 252 unq 0 iso 0 dist 8.04265 7.44658 4.54745 7.54349 6.40957 7.62991 numMergedOcc 0
11 mol 252 unq 1 iso 0 dist 8.04265 7.44658 4.54745 12.5807 8.56684 9.81261 numMergedOcc 0
12 mol 252 unq 2 iso 0 dist 9.42193 8.846 4.54745 13.2547 6.40957 7.62991 numMergedOcc 0
13 mol 252 unq 3 iso 0 dist 9.42193 8.846 4.54745 7.38867 8.56684 9.81261 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 9.42812 17.13 8.18813 20.9727 11.5613 5.13533 numMergedOcc 0
15 mol 279 unq 0 iso 0 dist 8.66917 6.23517 8.16952 12.533 7.53916 8.62266 numMergedOcc 0
16 mol 282 unq 0 iso 0 dist 8.3398 5.15758 9.33418 12.2121 8.24765 9.06947 numMergedOcc 0
17 mol 286 unq 0 iso 0 dist 8.30708 6.2267 8.09566 11.8974 10.9935 8.75926 numMergedOcc 0
18 mol 286 unq 1 iso 0 dist 8.9718 6.2267 5.6343 11.8974 5.85675 8.75926 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 8.83885 8.58414 9.94851 9.57637 7.24849 4.93516 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 8.83885 8.58414 9.94851 9.57637 7.24849 4.93516 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 8.83885 8.58414 9.94851 9.57637 7.24849 4.93516 numMergedOcc 0
