0 mol 48 unq 0 iso 0 dist 7.77714 4.62339 8.96621 10.019 10.3987 7.54318 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.46118 10.0767 8.96621 13.3086 10.3987 7.54318 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 8.80424 6.2537 6.87293 9.35212 6.89206 7.38759 numMergedOcc 0
3 mol 108 unq 0 iso 0 dist 9.89763 5.53449 7.52802 12.0742 12.8858 7.29462 numMergedOcc 0
4 mol 108 unq 1 iso 0 dist 8.49918 5.53449 7.84262 12.0742 12.0135 7.29462 numMergedOcc 0
5 mol 108 unq 2 iso 0 dist 8.49918 9.01058 9.29208 12.0742 12.0135 5.4057 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 9.02174 4.65265 7.24538 10.7438 12.0587 7.21229 numMergedOcc 0
7 mol 110 unq 1 iso 0 dist 9.02174 4.65265 7.24538 9.83039 8.6616 5.25492 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 9.79676 4.59384 6.00391 12.2255 9.38606 8.54461 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 9.79676 4.59384 6.00391 7.94863 11.8666 7.83619 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.18505 7.75644 8.43088 9.73536 6.43447 6.11955 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 9.47309 5.57 5.90784 12.3857 14.2632 9.33771 numMergedOcc 0
12 mol 224 unq 1 iso 0 dist 9.47309 5.57 5.90784 8.47457 13.2364 7.39839 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 9.20848 4.12545 6.41452 9.09043 4.93539 5.00515 numMergedOcc 0
14 mol 257 unq 0 iso 0 dist 8.42116 13.3046 6.75578 14.5389 10.0383 4.97263 numMergedOcc 0
15 mol 257 unq 1 iso 0 dist 8.42116 13.3046 6.75578 8.95261 5.86413 5.36776 numMergedOcc 0
16 mol 257 unq 2 iso 0 dist 8.53984 11.62 6.75578 13.042 10.0383 4.97263 numMergedOcc 0
17 mol 257 unq 3 iso 0 dist 8.53984 11.62 6.75578 7.80336 5.86413 5.36776 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 8.87598 4.98212 6.13752 5.29682 6.59107 6.77279 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 8.87598 4.98212 6.13752 6.20344 11.1778 9.58006 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 5.02677 9.80619 8.60714 13.3902 10.5605 9.37818 numMergedOcc 0
21 mol 294 unq 1 iso 0 dist 8.34193 10.7137 8.60714 17.3661 10.5605 9.37818 numMergedOcc 0
