0 mol 26 unq 0 iso 0 dist 8.42581 6.15893 8.95026 11.3644 16.1361 7.22361 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 8.19733 6.24515 5.14532 4.85203 9.95025 6.47855 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.95778 7.21995 6.19841 5.79982 11.0046 7.70625 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 7.95778 9.62637 10.493 5.79982 11.0046 6.01423 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 7.93481 9.11258 13.9844 13.9773 20.6925 7.6481 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.28578 5.39745 12.1199 5.06359 14.1898 6.72712 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.06525 8.809 8.51024 7.68699 11.9332 5.79343 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 8.11094 9.83981 11.4429 5.74742 11.6307 6.13559 numMergedOcc 0
8 mol 114 unq 2 iso 0 dist 8.11094 9.83981 11.4429 12.0339 14.8762 6.51395 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.27673 8.84087 7.33607 5.75826 7.74431 6.32615 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.27673 8.84087 7.33607 6.53113 11.6369 7.73791 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 8.27673 8.84087 7.33607 9.10698 12.7047 6.75145 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 8.27673 8.84087 7.33607 7.12323 11.3594 8.1856 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 7.74431 6.32615 7.33607 5.75826 8.27673 8.84087 numMergedOcc 0
14 mol 134 unq 5 iso 0 dist 7.74431 6.32615 7.33607 4.86065 11.6369 7.73791 numMergedOcc 0
15 mol 134 unq 6 iso 0 dist 7.74431 6.32615 7.33607 8.71104 12.7047 6.75145 numMergedOcc 0
16 mol 134 unq 7 iso 0 dist 7.74431 6.32615 7.33607 9.82847 11.3594 8.1856 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 8.1582 6.46089 11.5146 6.54147 14.6045 6.97487 numMergedOcc 0
18 mol 143 unq 1 iso 0 dist 7.88655 6.46089 6.60479 6.54147 12.4241 6.97487 numMergedOcc 0
19 mol 159 unq 0 iso 0 dist 7.13269 5.9032 7.97232 7.97065 11.9236 8.52082 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 5.49808 5.97685 6.12563 6.46849 7.96291 8.9289 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 7.96291 8.9289 6.12563 6.46849 5.49808 5.97685 numMergedOcc 0
22 mol 189 unq 0 iso 0 dist 9.6013 9.33695 6.16643 4.7815 8.32712 6.31466 numMergedOcc 0
23 mol 189 unq 1 iso 0 dist 8.32712 6.31466 6.16643 4.7815 9.6013 9.33695 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 9.42618 6.87131 4.77308 12.6844 10.1049 8.90076 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 9.42618 6.87131 4.77308 5.38691 12.0846 8.09718 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 9.42618 9.69818 10.2777 12.6844 10.1049 6.62002 numMergedOcc 0
27 mol 238 unq 3 iso 0 dist 9.42618 9.69818 10.2777 5.38691 12.0846 6.73446 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 6.5422 7.34094 6.67381 6.20393 10.2204 5.91213 numMergedOcc 0
