0 mol 43 unq 0 iso 0 dist 9.89546 6.6263 9.05723 7.39848 4.2509 5.14161 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 4.69674 7.12321 6.75732 4.86198 3.93249 4.38233 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.62694 5.5087 8.97954 7.37171 10.9695 10.0644 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 5.62694 6.08682 5.33414 7.37171 10.9695 12.1501 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 8.72013 6.85523 14.5311 7.91148 11.1097 6.99884 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 8.72013 6.85523 14.5311 6.59794 12.3433 3.75261 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 8.72013 6.85523 14.5311 8.34957 7.34534 10.6388 numMergedOcc 0
7 mol 78 unq 3 iso 0 dist 8.72013 5.77326 7.35317 7.91148 11.1097 4.75637 numMergedOcc 0
8 mol 78 unq 4 iso 0 dist 8.72013 5.77326 7.35317 6.59794 12.3433 5.62063 numMergedOcc 0
9 mol 78 unq 5 iso 0 dist 8.72013 5.77326 7.35317 8.34957 7.34534 3.81575 numMergedOcc 0
10 mol 81 unq 0 iso 0 dist 6.4687 9.24724 9.00471 9.62234 6.05544 9.57422 numMergedOcc 0
11 mol 81 unq 1 iso 0 dist 6.67147 9.24724 10.7554 9.62234 4.45069 9.57422 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 8.81824 7.7068 9.85117 8.04242 7.59896 11.1225 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 5.94552 8.80934 10.0317 7.02367 8.9451 3.52445 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 5.94552 8.80934 10.0317 9.30832 4.43124 10.4701 numMergedOcc 0
15 mol 116 unq 0 iso 0 dist 8.10448 8.28795 4.13685 8.51123 4.89202 6.51576 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 9.50837 7.79505 12.7979 6.80627 4.3068 11.1934 numMergedOcc 0
17 mol 127 unq 1 iso 0 dist 8.17522 7.79505 5.83338 6.80627 10.7946 11.1934 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 5.36351 6.89918 9.21982 5.77186 5.86406 6.96373 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 6.62757 9.63417 13.041 9.19156 3.46183 14.8784 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 9.36354 9.63417 5.71279 9.19156 12.5282 14.8784 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 6.02579 7.05695 4.4877 6.93931 5.64335 5.4547 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 9.16817 8.73533 12.7415 5.90765 10.0414 3.60793 numMergedOcc 0
23 mol 198 unq 0 iso 0 dist 8.32738 9.31526 6.14929 9.7657 8.08468 3.70259 numMergedOcc 0
24 mol 219 unq 0 iso 0 dist 7.68645 4.33238 6.08582 9.64116 14.4704 8.59843 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 6.64082 9.35539 4.85898 4.9764 11.4713 13.2853 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 6.64082 9.35539 4.85898 6.36559 11.9414 12.4985 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 6.64082 8.9682 14.6245 4.9764 11.4713 5.9732 numMergedOcc 0
28 mol 277 unq 3 iso 0 dist 6.64082 8.9682 14.6245 6.36559 11.9414 8.61922 numMergedOcc 0
29 mol 277 unq 4 iso 0 dist 6.64082 6.92711 13.2277 4.9764 11.4713 3.79766 numMergedOcc 0
30 mol 277 unq 5 iso 0 dist 6.64082 6.92711 13.2277 6.36559 11.9414 7.07613 numMergedOcc 0
