0 mol 26 unq 0 iso 0 dist 6.67455 8.99751 5.60332 10.7581 7.24149 7.22361 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.67455 8.99751 5.60332 6.77783 8.63881 6.15893 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 6.67455 9.44507 7.30207 10.7581 7.24149 11.4325 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 6.67455 9.44507 7.30207 6.77783 8.63881 5.497 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 9.2772 9.30674 5.60332 11.3546 7.24149 7.22361 numMergedOcc 0
5 mol 26 unq 5 iso 0 dist 9.2772 9.30674 5.60332 5.24037 8.63881 6.15893 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 6.91278 5.31016 4.65104 5.14132 9.22814 6.73801 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.82294 6.23138 8.95689 12.954 7.77991 14.987 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 9.82294 6.23138 8.95689 6.84612 5.1488 9.32552 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 8.79677 8.27794 11.1547 8.32999 6.06039 9.83981 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 8.79677 8.27794 11.1547 5.28095 9.36502 6.13559 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 5.84909 7.31633 5.10826 6.2062 7.46812 7.34698 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 9.73865 8.30496 4.11501 4.06022 8.37295 8.75562 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 9.73865 6.78469 7.22151 4.06022 8.37295 8.00449 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 8.52591 8.01453 7.22151 6.47962 8.37295 8.00449 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 5.47265 9.41073 5.30729 5.81847 9.80032 14.7057 numMergedOcc 0
16 mol 157 unq 0 iso 0 dist 8.78412 9.30128 6.22449 9.06676 8.18826 6.455 numMergedOcc 0
17 mol 157 unq 1 iso 0 dist 8.78412 9.04487 10.8634 9.06676 8.18826 12.2103 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.90161 5.97968 5.51195 4.24915 5.89833 5.95304 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 7.11262 8.50382 5.51195 4.20499 5.89833 5.95304 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 6.60648 9.07527 12.2278 6.39513 5.89833 10.2746 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 7.81904 7.58256 4.78938 10.067 7.82212 9.49226 numMergedOcc 0
22 mol 193 unq 0 iso 0 dist 6.66555 9.37035 4.27178 7.57363 6.00381 9.9592 numMergedOcc 0
23 mol 193 unq 1 iso 0 dist 6.66555 9.37035 4.27178 5.8139 9.3817 13.3483 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 9.35664 8.13947 7.07871 4.04021 7.87044 9.82588 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.17026 9.58735 8.59303 4.00719 9.31129 13.2042 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 8.43002 9.58735 10.3959 4.00719 9.77741 13.2042 numMergedOcc 0
