0 mol 20 unq 0 iso 0 dist 8.7812 9.78431 9.51548 7.58687 8.65986 4.36087 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.7812 9.78431 9.51548 5.14626 9.39462 7.09639 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 6.29578 9.78431 10.9502 7.58687 9.74724 4.36087 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 6.29578 9.78431 10.9502 5.14626 9.13347 7.09639 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.93243 5.6359 8.86183 4.85685 5.83263 9.19512 numMergedOcc 0
5 mol 169 unq 0 iso 0 dist 6.47837 5.87263 3.38465 6.5732 9.39809 7.65903 numMergedOcc 0
6 mol 169 unq 1 iso 0 dist 6.47837 5.87263 3.38465 4.14139 8.38775 5.97653 numMergedOcc 0
7 mol 196 unq 0 iso 0 dist 6.23804 9.95371 9.70908 4.20473 8.94198 12.5798 numMergedOcc 0
8 mol 196 unq 1 iso 0 dist 6.66019 9.95371 5.72185 4.20473 9.49159 12.5798 numMergedOcc 0
9 mol 196 unq 2 iso 0 dist 9.88671 9.95371 12.8098 4.20473 8.79306 12.5798 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 6.24316 8.52022 3.89086 6.47265 8.15802 11.5172 numMergedOcc 0
11 mol 258 unq 0 iso 0 dist 6.26195 8.34536 3.34873 3.57554 8.27566 10.9834 numMergedOcc 0
12 mol 266 unq 0 iso 0 dist 8.93788 8.6959 13.4148 8.51059 8.53393 16.7663 numMergedOcc 0
13 mol 266 unq 1 iso 0 dist 8.93788 8.6959 13.4148 7.79913 7.24165 15.2335 numMergedOcc 0
14 mol 270 unq 0 iso 0 dist 7.7975 9.6012 15.1111 8.63373 6.85081 17.887 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 7.11792 8.60476 4.4084 3.47973 4.76359 7.56691 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.64453 7.37164 8.57968 15.6386 8.70479 16.7349 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.64453 7.37164 8.57968 15.6386 8.70479 16.7349 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.64453 7.37164 8.57968 15.6386 8.70479 16.7349 numMergedOcc 0
