0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 16.2118 7.12508 6.1206 18.3196 11.9671 5.77391 8.36111 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 14.6665 7.10621 18.9985 11.143 7.67927 18.3196 11.9671 5.77391 5.99898 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.8603 14.6665 7.10621 18.9985 11.143 7.67927 24.2364 16.4849 10.3415 7.2834 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 5.51421 10.6104 8.41585 16.4746 12.8323 9.87885 21.106 17.0751 17.4437 8.36111 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 9.30877 5.01101 6.42835 9.18144 8.82587 5.61445 6.21616 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 6.36377 4.78943 5.05803 9.8871 4.65873 6.57331 9.18144 8.82587 5.61445 9.45103 numMergedOcc 0
6 mol 16 unq 2 iso 0 dist 6.36377 5.48395 6.31718 9.8871 4.65873 8.43054 9.18144 8.82587 12.5048 9.45103 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.88413 5.59268 7.17969 13.4236 5.68041 9.48085 5.30126 6.22122 4.96681 9.95169 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.9747 10.4417 6.48948 7.34638 7.03983 7.02507 11.1108 8.05602 4.72129 4.79891 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 5.9747 11.3628 6.10456 14.2657 10.4782 7.54889 18.6227 15.44 11.0642 6.74197 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 4.50572 9.63267 6.48948 6.0995 7.03983 7.02507 9.17639 8.05602 4.72129 4.79891 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 4.50572 9.82583 6.10456 14.7607 10.4782 7.54889 19.1848 15.44 11.0642 6.74197 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 13.543 6.73011 6.29161 13.7011 11.8274 5.25186 9.05604 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 8.73648 9.47324 7.34473 17.3399 13.0886 7.86666 13.7011 11.8274 5.25186 5.58623 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 15.0886 10.5783 6.10127 14.3226 11.6152 5.34484 8.54233 numMergedOcc 0
15 mol 117 unq 1 iso 0 dist 8.90977 13.8755 7.90328 18.6425 10.5783 6.10127 16.3405 11.6152 5.34484 8.54233 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 5.49877 3.96103 8.70949 5.82945 4.97996 6.93139 5.76927 9.77934 7.21973 9.58844 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 9.55777 16.4881 7.21333 15.2698 6.84862 5.56538 14.056 5.47561 5.60111 8.51427 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 6.32334 7.05804 8.79428 4.61429 9.73411 9.81806 5.31916 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 8.39002 6.51315 5.78342 6.32334 7.05804 6.8692 4.61429 9.73411 5.99647 5.31916 numMergedOcc 0
20 mol 224 unq 2 iso 0 dist 8.46129 6.31508 6.65832 6.32334 5.76843 6.99769 4.61429 10.1632 8.98459 5.31916 numMergedOcc 0
21 mol 224 unq 3 iso 0 dist 8.46129 5.72088 6.60589 6.32334 5.76843 8.79428 4.61429 10.1632 9.81806 5.31916 numMergedOcc 0
22 mol 224 unq 4 iso 0 dist 8.46129 6.51315 9.16166 6.32334 5.76843 6.8692 4.61429 10.1632 5.99647 5.31916 numMergedOcc 0
23 mol 224 unq 5 iso 0 dist 9.2053 6.51315 5.81334 6.32334 4.54188 6.8692 4.61429 7.75485 5.99647 5.31916 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 8.06771 6.64729 8.13497 13.9131 8.8603 9.07743 11.3649 10.9903 5.20592 6.95658 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 13.9131 8.8603 7.66153 11.3649 10.9903 6.80302 6.95658 numMergedOcc 0
26 mol 259 unq 2 iso 0 dist 9.54857 15.3806 7.46176 21.0823 11.8896 7.66153 21.4301 13.7903 6.80302 6.95658 numMergedOcc 0
27 mol 259 unq 3 iso 0 dist 9.12507 5.59901 5.30224 10.7775 4.04513 8.03219 8.46264 8.57619 5.43184 9.2885 numMergedOcc 0
