0 mol 34 unq 0 iso 0 dist 9.32818 7.66913 7.02107 5.39587 12.4289 9.12176 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.32818 7.66913 7.02107 6.47252 9.67615 9.21138 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 9.11806 8.4436 6.19326 6.17708 4.01477 3.91611 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.39423 9.46449 13.3449 6.94712 9.71796 3.81228 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.43426 6.27321 6.78661 6.72469 6.73987 7.71726 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.54468 8.64736 16.1593 7.10218 12.2009 12.669 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.1663 4.76028 4.49443 8.59103 7.74576 7.14708 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 8.47929 4.89256 6.06511 6.6014 5.93759 5.91388 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 9.71728 4.89256 7.34304 6.6014 10.8398 5.91388 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.52784 6.10556 10.0354 5.05627 7.18009 3.98068 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 8.76784 6.10556 4.37003 5.05627 6.90735 3.98068 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 8.36066 8.85675 6.01213 8.59532 11.4665 14.2356 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 8.51999 8.59976 6.07908 8.89822 7.26442 7.33583 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 8.51999 9.71763 5.82243 8.89822 7.26442 3.95773 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.30192 8.34668 5.55343 8.9388 5.72704 4.03697 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 8.30192 8.76308 10.9849 8.9388 5.72704 14.8715 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 7.59599 6.0685 5.48326 9.16579 10.9778 6.42554 numMergedOcc 0
17 mol 186 unq 3 iso 0 dist 7.59599 6.0685 5.48326 8.95209 5.74741 3.87082 numMergedOcc 0
18 mol 186 unq 4 iso 0 dist 7.76429 6.0685 10.094 9.16579 10.1836 6.42554 numMergedOcc 0
19 mol 186 unq 5 iso 0 dist 7.76429 6.0685 10.094 8.95209 12.4955 3.87082 numMergedOcc 0
20 mol 186 unq 6 iso 0 dist 7.73733 6.0685 11.0387 9.16579 8.79267 6.42554 numMergedOcc 0
21 mol 186 unq 7 iso 0 dist 7.73733 6.0685 11.0387 8.95209 14.6855 3.87082 numMergedOcc 0
22 mol 217 unq 0 iso 0 dist 8.75987 5.88992 11.952 9.41353 3.64097 11.304 numMergedOcc 0
23 mol 217 unq 1 iso 0 dist 8.75987 5.88992 11.952 8.28155 8.43469 9.98266 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 9.31001 5.74541 9.60276 8.56943 17.1006 10.2835 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 6.69765 7.90349 4.47764 6.92276 5.66713 5.2878 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 6.33501 7.30188 6.86882 5.78671 6.42369 5.42682 numMergedOcc 0
27 mol 243 unq 1 iso 0 dist 6.33501 7.30188 6.86882 6.56525 4.02386 3.85188 numMergedOcc 0
28 mol 243 unq 2 iso 0 dist 6.33501 7.30188 6.86882 5.46817 8.36019 4.21383 numMergedOcc 0
29 mol 243 unq 3 iso 0 dist 8.46048 7.30188 11.2405 5.78671 8.04366 5.42682 numMergedOcc 0
30 mol 243 unq 4 iso 0 dist 8.46048 7.30188 11.2405 6.56525 9.25649 3.85188 numMergedOcc 0
31 mol 243 unq 5 iso 0 dist 8.46048 7.30188 11.2405 5.46817 11.3398 4.21383 numMergedOcc 0
32 mol 243 unq 6 iso 0 dist 6.67803 7.30188 5.73931 5.78671 8.94826 5.42682 numMergedOcc 0
33 mol 243 unq 7 iso 0 dist 6.67803 7.30188 5.73931 6.56525 6.41173 3.85188 numMergedOcc 0
34 mol 243 unq 8 iso 0 dist 6.67803 7.30188 5.73931 5.46817 5.7044 4.21383 numMergedOcc 0
35 mol 266 unq 0 iso 0 dist 9.00434 8.31182 15.611 7.30349 13.2055 10.0756 numMergedOcc 0
