0 mol 20 unq 0 iso 0 dist 8.93826 9.42081 7.99756 16.1676 9.46385 8.25405 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.17695 9.45728 7.99756 14.8481 9.46385 8.25405 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.54314 7.78684 8.78414 13.2401 8.45456 7.4515 numMergedOcc 0
3 mol 63 unq 1 iso 0 dist 9.54314 7.78684 8.78414 12.3914 3.4677 9.76551 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.57551 6.56256 8.19932 13.6654 13.0221 8.05514 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.06029 6.35003 4.78333 5.69384 5.47798 8.04168 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 9.94528 6.51558 5.35861 11.1551 6.74231 7.26995 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 8.94777 9.07479 5.35861 11.5795 6.74231 7.26995 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 9.47551 5.46512 5.35861 9.64036 6.74231 7.26995 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 5.10693 3.91263 6.67678 8.42713 12.5638 7.8435 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 6.58814 3.91263 7.24956 8.42713 12.4215 7.8435 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 6.13459 3.91263 8.28591 8.42713 5.99863 7.8435 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 6.13459 5.59024 5.35008 8.42713 5.99863 5.99269 numMergedOcc 0
13 mol 93 unq 4 iso 0 dist 6.13459 12.9872 8.30921 8.42713 5.99863 5.71763 numMergedOcc 0
14 mol 93 unq 5 iso 0 dist 7.54391 3.91263 9.40687 8.42713 6.15015 7.8435 numMergedOcc 0
15 mol 93 unq 6 iso 0 dist 7.54391 5.59024 8.84576 8.42713 6.15015 5.99269 numMergedOcc 0
16 mol 93 unq 7 iso 0 dist 7.54391 12.9872 7.39732 8.42713 6.15015 5.71763 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.42225 5.99531 4.55071 12.1811 10.7475 9.6121 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.14525 5.22626 8.92135 11.9451 9.28201 8.57801 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 6.99587 5.33968 6.94594 9.38115 6.50208 7.04815 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 4.37577 5.33968 5.81881 9.38115 6.3786 7.04815 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 8.87165 10.0544 4.97301 13.3662 6.72925 7.53395 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 9.46576 17.1277 9.73217 10.8653 4.05076 9.65775 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 9.46576 6.73886 7.49606 10.8653 4.05076 9.50634 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 5.96259 3.77031 4.98693 5.63154 7.93548 5.8304 numMergedOcc 0
