0 mol 18 unq 0 iso 0 dist 9.00899 7.826 13.3026 5.03451 10.3665 3.17053 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 7.826 9.00899 13.3026 5.03451 3.17053 10.3665 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 7.41235 9.00377 6.98724 9.75252 4.77763 7.38657 numMergedOcc 0
3 mol 27 unq 0 iso 1 dist 9.00377 7.41235 6.98724 9.75252 7.38657 4.77763 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 7.41235 9.00377 6.98724 5.27118 3.21417 4.96577 numMergedOcc 0
5 mol 27 unq 1 iso 1 dist 9.00377 7.41235 6.98724 5.27118 4.96577 3.21417 numMergedOcc 0
6 mol 27 unq 2 iso 0 dist 9.40953 9.57896 6.98724 8.16102 3.21417 4.96577 numMergedOcc 0
7 mol 27 unq 2 iso 1 dist 9.57896 9.40953 6.98724 8.16102 4.96577 3.21417 numMergedOcc 0
8 mol 46 unq 0 iso 0 dist 9.72136 4.61355 9.57123 9.942 3.7765 9.44812 numMergedOcc 0
9 mol 46 unq 0 iso 1 dist 4.61355 9.72136 9.57123 9.942 9.44812 3.7765 numMergedOcc 0
10 mol 46 unq 1 iso 0 dist 9.72136 4.61355 9.57123 5.92771 13.4768 6.08836 numMergedOcc 0
11 mol 46 unq 1 iso 1 dist 4.61355 9.72136 9.57123 5.92771 6.08836 13.4768 numMergedOcc 0
12 mol 62 unq 0 iso 0 dist 5.92285 8.38687 8.33965 6.42645 5.98227 5.87787 numMergedOcc 0
13 mol 62 unq 0 iso 1 dist 8.38687 5.92285 8.33965 6.42645 5.87787 5.98227 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 6.61587 8.24464 6.01052 6.72584 3.31218 9.11262 numMergedOcc 0
15 mol 83 unq 0 iso 1 dist 8.24464 6.61587 6.01052 6.72584 9.11262 3.31218 numMergedOcc 0
16 mol 83 unq 1 iso 0 dist 6.61587 8.24464 6.01052 7.25594 5.74818 9.84043 numMergedOcc 0
17 mol 83 unq 1 iso 1 dist 8.24464 6.61587 6.01052 7.25594 9.84043 5.74818 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 5.57495 9.38297 6.81449 8.87575 9.5716 15.8939 numMergedOcc 0
19 mol 167 unq 0 iso 1 dist 9.38297 5.57495 6.81449 8.87575 15.8939 9.5716 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 9.34557 8.83844 10.3047 8.25547 3.51753 7.20382 numMergedOcc 0
21 mol 171 unq 0 iso 1 dist 8.83844 9.34557 10.3047 8.25547 7.20382 3.51753 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 9.53656 7.06562 12.1403 9.35481 14.4056 5.54499 numMergedOcc 0
23 mol 184 unq 0 iso 1 dist 7.06562 9.53656 12.1403 9.35481 5.54499 14.4056 numMergedOcc 0
24 mol 184 unq 1 iso 0 dist 9.53656 7.06562 12.1403 9.11936 15.3702 6.15375 numMergedOcc 0
25 mol 184 unq 1 iso 1 dist 7.06562 9.53656 12.1403 9.11936 6.15375 15.3702 numMergedOcc 0
26 mol 184 unq 2 iso 0 dist 9.53656 7.06562 12.1403 8.20517 9.99712 9.56022 numMergedOcc 0
27 mol 184 unq 2 iso 1 dist 7.06562 9.53656 12.1403 8.20517 9.56022 9.99712 numMergedOcc 0
28 mol 198 unq 0 iso 0 dist 8.80827 8.17562 11.5686 6.13687 12.096 3.4601 numMergedOcc 0
29 mol 198 unq 0 iso 1 dist 8.17562 8.80827 11.5686 6.13687 3.4601 12.096 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 6.52085 9.84174 10.9049 4.69611 6.53775 13.4014 numMergedOcc 0
31 mol 284 unq 0 iso 1 dist 9.84174 6.52085 10.9049 4.69611 13.4014 6.53775 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 7.18462 6.66342 3.57128 8.26365 3.08474 6.12546 numMergedOcc 0
33 mol 292 unq 0 iso 1 dist 6.66342 7.18462 3.57128 8.26365 6.12546 3.08474 numMergedOcc 0
