0 mol 24 unq 0 iso 0 dist 6.44893 5.42968 4.21283 4.30555 9.65174 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.44893 5.94343 4.97191 4.30555 9.65174 10.2171 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.2612 8.27488 14.8703 5.01774 9.41425 8.28202 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 6.40398 7.92586 12.0238 7.69013 7.78893 11.1983 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 6.40398 7.92586 12.0238 11.7275 5.85146 15.7492 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 8.72742 9.66932 4.06864 16.7414 9.31883 11.9917 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 8.72742 9.66932 4.06864 15.4411 9.475 12.9247 numMergedOcc 0
7 mol 34 unq 2 iso 0 dist 8.72742 9.66932 4.06864 15.4933 8.34011 11.6522 numMergedOcc 0
8 mol 34 unq 3 iso 0 dist 8.72742 9.66932 4.06864 9.39237 6.29842 6.38866 numMergedOcc 0
9 mol 70 unq 0 iso 0 dist 9.33262 9.87737 16.6291 13.3525 7.34145 20.8449 numMergedOcc 0
10 mol 70 unq 1 iso 0 dist 9.33262 6.7303 13.2887 13.3525 7.34145 18.1056 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 6.90574 9.83758 4.26808 11.2375 4.72339 4.91212 numMergedOcc 0
12 mol 111 unq 1 iso 0 dist 6.90574 9.83758 4.26808 10.673 6.48902 9.896 numMergedOcc 0
13 mol 111 unq 2 iso 0 dist 6.90574 9.83758 4.26808 6.87591 7.21505 9.34782 numMergedOcc 0
14 mol 128 unq 0 iso 0 dist 7.03633 9.00141 13.0042 5.74684 7.12765 14.728 numMergedOcc 0
15 mol 128 unq 1 iso 0 dist 7.03633 9.00141 13.0042 5.15271 6.28471 12.7672 numMergedOcc 0
16 mol 128 unq 2 iso 0 dist 7.03633 4.26814 4.21194 5.74684 7.12765 7.76123 numMergedOcc 0
17 mol 128 unq 3 iso 0 dist 7.03633 4.26814 4.21194 5.15271 6.28471 6.08651 numMergedOcc 0
18 mol 128 unq 4 iso 0 dist 7.90691 7.66528 4.21194 10.2523 7.12765 7.76123 numMergedOcc 0
19 mol 128 unq 5 iso 0 dist 7.90691 7.66528 4.21194 5.43682 6.28471 6.08651 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 5.33789 5.84588 5.45278 5.73959 5.20846 7.38825 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 5.33789 9.36442 6.59269 5.73959 5.20846 10.317 numMergedOcc 0
22 mol 226 unq 0 iso 0 dist 6.06276 7.00922 5.89873 6.38983 8.19578 12.0302 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 6.47064 8.32382 12.1428 7.72583 7.83105 11.1421 numMergedOcc 0
24 mol 230 unq 1 iso 0 dist 6.47064 8.32382 12.1428 11.7343 5.63025 15.6719 numMergedOcc 0
25 mol 281 unq 0 iso 0 dist 8.88027 9.73306 11.7851 15.6379 8.2659 20.0095 numMergedOcc 0
26 mol 281 unq 1 iso 0 dist 6.42743 7.8046 11.7851 14.1665 8.2659 20.0095 numMergedOcc 0
