0 mol 68 unq 0 iso 0 dist 7.07989 8.18214 3.99506 11.6093 9.77272 13.6793 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.17655 9.00872 9.83579 5.45052 9.78129 14.2311 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 6.37888 5.48163 3.98877 8.58474 7.11127 8.39069 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 6.37888 5.48163 3.98877 6.46167 7.11438 7.7399 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 7.11438 7.29864 9.74373 12.8708 7.11127 16.3695 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 7.11438 7.29864 9.74373 6.46167 6.37888 12.9613 numMergedOcc 0
6 mol 92 unq 4 iso 0 dist 7.11438 7.7399 3.98877 12.8708 7.11127 8.39069 numMergedOcc 0
7 mol 92 unq 5 iso 0 dist 7.11438 7.7399 3.98877 6.46167 6.37888 5.48163 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 9.25249 9.68556 3.61204 4.66569 8.41411 8.73928 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 8.41411 8.73928 3.61204 4.66569 9.25249 9.68556 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.48774 6.3323 4.0719 12.2543 9.53055 11.5535 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 5.37302 7.08403 3.52111 8.68982 8.03783 11.3681 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 5.37302 7.08403 3.52111 11.0841 8.47541 9.88567 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 8.03783 7.96893 8.17309 8.68982 5.37302 11.0815 numMergedOcc 0
14 mol 113 unq 3 iso 0 dist 8.03783 7.96893 8.17309 7.68339 8.47541 12.3221 numMergedOcc 0
15 mol 116 unq 0 iso 0 dist 7.6005 8.24233 4.13755 4.61575 8.7583 10.1101 numMergedOcc 0
16 mol 128 unq 0 iso 0 dist 9.49761 8.46801 12.2606 11.7069 8.87314 13.5063 numMergedOcc 0
17 mol 128 unq 1 iso 0 dist 9.49761 8.46801 12.2606 3.93975 9.38436 9.1479 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.72323 8.52036 12.7291 12.3753 9.04845 12.3822 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 6.72323 8.52036 12.7291 14.0664 7.94325 17.8117 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 6.78469 9.48934 5.16197 9.03348 8.01453 6.41183 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 8.01453 6.41183 5.16197 9.03348 6.78469 9.48934 numMergedOcc 0
22 mol 169 unq 0 iso 0 dist 5.51388 7.33643 3.83687 8.58882 8.17917 11.7902 numMergedOcc 0
23 mol 169 unq 1 iso 0 dist 5.51388 7.33643 3.83687 11.0771 8.68909 10.1085 numMergedOcc 0
24 mol 169 unq 2 iso 0 dist 8.17917 7.78577 7.83748 8.58882 5.51388 10.9108 numMergedOcc 0
25 mol 169 unq 3 iso 0 dist 8.17917 7.78577 7.83748 8.19127 8.68909 12.3945 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 7.23557 8.93485 9.43113 5.80929 5.86419 13.0087 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 7.23557 8.93485 9.43113 4.20051 8.86587 5.66636 numMergedOcc 0
28 mol 205 unq 2 iso 0 dist 8.86587 5.66636 9.43113 9.66755 5.86419 13.0087 numMergedOcc 0
29 mol 205 unq 3 iso 0 dist 8.86587 5.66636 9.43113 4.20051 7.23557 8.93485 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.11072 9.82713 8.87313 5.41461 9.02071 12.3011 numMergedOcc 0
