0 mol 26 unq 0 iso 0 dist 8.36742 4.52042 7.98005 8.10028 6.92384 8.31381 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.10028 4.52042 8.31381 8.36742 6.92384 7.98005 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.55023 12.9158 8.06267 11.9279 3.20411 5.88334 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 4.39888 6.13436 8.06267 5.29595 3.20411 5.88334 numMergedOcc 0
4 mol 68 unq 2 iso 0 dist 5.29595 6.13436 5.88334 4.39888 3.20411 8.06267 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 6.50622 5.58109 9.85512 4.45433 3.46822 8.97888 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 4.45433 5.58109 8.97888 6.50622 3.46822 9.85512 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 7.68838 11.619 7.44558 17.2064 9.99088 8.11702 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.22398 5.28643 4.76974 12.5065 3.66281 8.0336 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.16392 11.8473 7.42146 17.3281 9.77711 7.78789 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 7.667 7.26802 8.92592 10.4816 3.44823 9.57452 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 7.72354 7.25468 9.84566 11.6335 10.045 8.22001 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 8.64187 10.3241 4.66576 19.2307 11.4531 9.09354 numMergedOcc 0
13 mol 231 unq 0 iso 0 dist 6.8533 10.613 7.3268 17.7886 13.1222 9.9868 numMergedOcc 0
14 mol 231 unq 1 iso 0 dist 8.8788 6.39215 9.9868 13.4613 13.1222 7.3268 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 5.57978 10.4505 5.4557 13.2931 8.40845 7.12221 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 7.70811 7.26296 6.09853 12.1231 5.57024 8.12739 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 8.90108 7.64772 8.12739 9.98144 5.57024 6.09853 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 9.98144 7.64772 6.09853 8.90108 5.57024 8.12739 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.27039 5.81799 4.49592 11.5875 3.75963 6.69619 numMergedOcc 0
