0 mol 1 unq 0 iso 0 dist 5.55208 4.61559 5.87976 5.99543 9.48433 6.35409 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 5.11663 5.15534 8.44832 5.45587 4.82342 5.35193 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 9.55714 3.88394 8.44832 4.95113 4.82342 5.35193 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 6.62176 12.0927 8.23695 11.935 8.74231 13.2118 numMergedOcc 0
4 mol 63 unq 1 iso 0 dist 6.62176 4.79634 7.04212 11.935 8.74231 10.7769 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.09741 5.95873 8.91055 6.75623 8.14057 5.36296 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 7.7946 6.80592 4.3761 15.403 9.58693 8.91618 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 7.7946 6.80592 4.3761 9.57791 9.48388 12.3835 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 7.7946 9.55396 5.84583 15.403 9.58693 12.9994 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 7.7946 9.55396 5.84583 9.57791 9.48388 4.96747 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 8.50734 7.6087 9.04398 5.25443 9.80191 4.38811 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 7.82774 10.9168 6.34149 5.61003 9.45717 14.5572 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 7.82774 12.2471 8.63279 5.61003 9.45717 16.553 numMergedOcc 0
13 mol 135 unq 0 iso 0 dist 8.27195 8.06979 6.1777 10.6501 8.24228 5.49259 numMergedOcc 0
14 mol 135 unq 1 iso 0 dist 7.16327 6.64028 6.1777 6.00873 8.24228 5.49259 numMergedOcc 0
15 mol 146 unq 0 iso 0 dist 7.57654 9.75979 9.5348 5.1208 8.74283 8.76758 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 8.79685 15.5711 8.94007 12.894 9.11046 6.91778 numMergedOcc 0
17 mol 180 unq 0 iso 0 dist 8.63182 6.53456 9.13402 9.94 7.24785 10.2567 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 7.30288 7.7558 9.22999 4.8419 5.07968 5.38988 numMergedOcc 0
19 mol 243 unq 0 iso 0 dist 6.30075 11.5052 9.6748 6.39341 8.19458 16.7618 numMergedOcc 0
20 mol 243 unq 1 iso 0 dist 6.30075 11.5052 9.6748 6.81965 9.45133 16.2753 numMergedOcc 0
21 mol 243 unq 2 iso 0 dist 6.30075 4.82955 8.71177 6.39341 8.19458 11.0832 numMergedOcc 0
22 mol 243 unq 3 iso 0 dist 6.30075 4.82955 8.71177 6.81965 9.45133 9.97025 numMergedOcc 0
23 mol 243 unq 4 iso 0 dist 9.7462 15.9337 9.6748 6.87862 8.19458 16.7618 numMergedOcc 0
24 mol 243 unq 5 iso 0 dist 9.7462 15.9337 9.6748 10.3832 9.45133 16.2753 numMergedOcc 0
25 mol 243 unq 6 iso 0 dist 9.7462 9.99757 8.71177 6.87862 8.19458 11.0832 numMergedOcc 0
26 mol 243 unq 7 iso 0 dist 9.7462 9.99757 8.71177 10.3832 9.45133 9.97025 numMergedOcc 0
27 mol 252 unq 0 iso 0 dist 7.24226 7.47327 9.01177 10.731 9.55574 11.6171 numMergedOcc 0
28 mol 252 unq 1 iso 0 dist 7.24226 6.71515 9.15686 10.731 9.55574 11.2271 numMergedOcc 0
29 mol 252 unq 2 iso 0 dist 7.46598 12.553 9.01177 6.7174 9.55574 11.6171 numMergedOcc 0
30 mol 252 unq 3 iso 0 dist 7.46598 4.81381 9.15686 6.7174 9.55574 11.2271 numMergedOcc 0
31 mol 270 unq 0 iso 0 dist 8.46756 8.39676 4.60602 12.6201 9.02113 5.00269 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 6.59906 4.56764 6.84909 9.6377 6.02089 9.83514 numMergedOcc 0
33 mol 292 unq 1 iso 0 dist 6.59906 4.56764 6.84909 5.0721 6.87804 8.04474 numMergedOcc 0
34 mol 292 unq 2 iso 0 dist 7.1839 5.86441 6.38051 5.0721 6.07571 9.00118 numMergedOcc 0
