0 mol 7 unq 0 iso 0 dist 7.5706 8.43473 6.04832 13.2603 7.58143 9.97624 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.28925 5.03847 6.04832 6.36911 7.58143 9.97624 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.70159 13.8829 6.04832 9.36807 7.58143 9.97624 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 8.07518 5.12703 5.64906 14.4501 13.219 9.877 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 9.35137 10.6971 6.61889 6.08338 8.37543 6.93185 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 4.5985 6.12107 8.95014 10.6643 12.1513 6.0652 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 8.20656 12.5531 8.95014 16.0876 12.1513 6.0652 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 6.05583 11.9775 6.66076 11.444 6.14787 6.51868 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 6.50009 6.98221 7.20601 11.0162 8.69502 6.93279 numMergedOcc 0
9 mol 135 unq 0 iso 0 dist 6.67623 10.2752 7.83735 11.53 5.42566 7.12936 numMergedOcc 0
10 mol 157 unq 0 iso 0 dist 7.02823 6.38294 5.14587 9.97573 5.16713 6.455 numMergedOcc 0
11 mol 157 unq 1 iso 0 dist 8.97404 8.0238 5.14587 11.5477 5.16713 6.455 numMergedOcc 0
12 mol 157 unq 2 iso 0 dist 6.8364 8.0238 6.58984 11.5477 5.78862 6.455 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.47008 5.63555 6.2176 7.98142 5.3049 5.97685 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 8.47008 5.63555 6.2176 7.37327 10.8044 8.9289 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 7.61316 10.286 5.67863 19.4665 14.2191 9.3402 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 8.25629 13.052 7.83637 13.4461 7.96309 9.47117 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 9.31373 8.32583 7.83637 5.50387 7.96309 9.47117 numMergedOcc 0
18 mol 225 unq 2 iso 0 dist 9.20561 9.16289 7.83637 12.9623 7.96309 9.47117 numMergedOcc 0
19 mol 225 unq 3 iso 0 dist 9.88976 16.6675 7.83637 9.88956 7.96309 9.47117 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 7.72403 13.8349 9.38888 10.3388 10.0213 7.43663 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 7.72403 13.8349 9.38888 11.6207 5.16504 7.94068 numMergedOcc 0
22 mol 234 unq 2 iso 0 dist 6.35438 10.0059 9.38888 9.5707 10.0213 7.43663 numMergedOcc 0
23 mol 234 unq 3 iso 0 dist 6.35438 10.0059 9.38888 10.475 5.16504 7.94068 numMergedOcc 0
24 mol 234 unq 4 iso 0 dist 9.57132 5.08515 9.38888 11.8897 10.0213 7.43663 numMergedOcc 0
25 mol 234 unq 5 iso 0 dist 9.57132 5.08515 9.38888 9.39181 5.16504 7.94068 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 8.8949 10.6582 8.20201 10.9067 4.7071 9.27395 numMergedOcc 0
27 mol 237 unq 1 iso 0 dist 8.8949 13.3834 6.21939 10.9067 4.7071 7.55103 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 9.72168 7.7384 4.73652 5.24676 9.71947 9.18903 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 9.82018 4.60101 6.83684 12.7608 10.5685 8.68913 numMergedOcc 0
30 mol 280 unq 0 iso 0 dist 8.65577 6.19336 8.64557 11.1057 9.5403 5.80452 numMergedOcc 0
31 mol 280 unq 1 iso 0 dist 8.65577 6.19336 8.64557 12.5207 9.02915 7.82157 numMergedOcc 0
