0 mol 9 unq 0 iso 0 dist 6.76332 7.36079 5.87266 13.6879 11.607 8.076 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 7.99404 9.36515 8.26327 8.44864 8.76488 5.40169 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.85573 7.37043 8.6578 10.53 6.30672 7.03307 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 7.85573 7.37043 8.6578 11.7913 10.7753 7.25707 numMergedOcc 0
4 mol 44 unq 2 iso 0 dist 6.21423 6.36853 8.6578 9.45566 6.30672 7.03307 numMergedOcc 0
5 mol 44 unq 3 iso 0 dist 6.21423 6.36853 8.6578 12.3808 10.7753 7.25707 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 9.33209 9.29757 8.34374 12.6637 7.25012 5.53589 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.78545 17.5543 9.19481 25.6453 16.7417 8.39326 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.97998 13.9722 9.19481 21.6262 16.7417 8.39326 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 9.33202 12.4274 9.51347 14.0537 6.73919 6.03429 numMergedOcc 0
10 mol 83 unq 1 iso 0 dist 6.55004 11.1783 9.51347 11.4019 6.73919 6.03429 numMergedOcc 0
11 mol 83 unq 2 iso 0 dist 7.16614 14.9677 9.51347 13.7295 6.73919 6.03429 numMergedOcc 0
12 mol 83 unq 3 iso 0 dist 9.35188 18.2639 9.51347 15.8935 6.73919 6.03429 numMergedOcc 0
13 mol 108 unq 0 iso 0 dist 5.52402 10.5684 7.96745 9.51844 4.70778 6.12967 numMergedOcc 0
14 mol 108 unq 1 iso 0 dist 6.79804 14.1381 7.96745 10.9819 4.70778 6.12967 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 8.89412 9.98487 7.5344 17.7307 11.4585 8.92828 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 8.89412 9.98487 7.5344 12.7913 6.14427 5.56627 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 8.77869 5.49559 7.34321 11.8662 4.55978 8.21989 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 8.10096 7.77366 5.01717 7.04477 7.93097 6.26945 numMergedOcc 0
19 mol 226 unq 1 iso 0 dist 8.10096 7.77366 5.01717 12.4067 4.87605 6.37744 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 4.75866 4.49604 7.92537 10.1619 8.23428 9.30921 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 7.87072 12.3159 7.92537 13.9838 8.23428 9.30921 numMergedOcc 0
