0 mol 26 unq 0 iso 0 dist 6.67455 10.7581 7.24149 8.99751 5.60332 7.22361 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.67455 6.77783 8.63881 8.99751 5.60332 6.15893 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 6.67455 6.77783 8.63881 9.44507 7.30207 5.497 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.2772 11.3546 7.24149 9.30674 5.60332 7.22361 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 9.2772 5.24037 8.63881 9.30674 5.60332 6.15893 numMergedOcc 0
5 mol 26 unq 5 iso 0 dist 9.2772 5.24037 8.63881 9.93814 7.30207 5.497 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 6.44158 12.3113 9.53262 14.0897 8.43904 9.33027 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 6.44158 12.3113 9.53262 10.634 4.81608 7.32707 numMergedOcc 0
8 mol 34 unq 2 iso 0 dist 6.44158 12.3113 9.53262 15.6348 10.5063 7.90574 numMergedOcc 0
9 mol 41 unq 0 iso 0 dist 6.91278 5.14132 9.22814 5.31016 4.65104 6.73801 numMergedOcc 0
10 mol 41 unq 1 iso 0 dist 6.91278 5.14132 9.22814 9.57818 14.2155 6.42834 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 9.82294 6.84612 5.1488 6.23138 8.95689 9.32552 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 5.55798 11.9573 8.17967 11.9711 9.40625 9.63599 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 8.79677 8.32999 6.06039 8.27794 11.1547 9.83981 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 8.79677 5.28095 9.36502 8.27794 11.1547 6.13559 numMergedOcc 0
15 mol 116 unq 0 iso 0 dist 9.62357 9.98507 9.49798 10.2858 6.2875 7.35992 numMergedOcc 0
16 mol 116 unq 1 iso 0 dist 9.62357 4.6158 8.31955 10.2858 6.2875 6.49383 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 5.84909 6.2062 7.46812 11.4454 9.68947 6.51868 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 5.84909 6.2062 7.46812 7.31633 5.10826 7.34698 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 9.73865 4.06022 8.37295 8.30496 4.11501 8.75562 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 9.73865 4.06022 8.37295 6.78469 7.22151 8.00449 numMergedOcc 0
21 mol 141 unq 2 iso 0 dist 8.52591 6.47962 8.37295 9.5805 4.11501 8.75562 numMergedOcc 0
22 mol 141 unq 3 iso 0 dist 8.52591 6.47962 8.37295 8.01453 7.22151 8.00449 numMergedOcc 0
23 mol 157 unq 0 iso 0 dist 8.78412 9.06676 8.18826 9.30128 6.22449 6.455 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 8.90161 4.24915 5.89833 5.97968 5.51195 5.95304 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 7.11262 4.20499 5.89833 8.50382 5.51195 5.95304 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 6.60648 6.39513 5.89833 10.547 5.51195 5.95304 numMergedOcc 0
27 mol 195 unq 0 iso 0 dist 9.35664 4.04021 7.87044 8.13947 7.07871 9.82588 numMergedOcc 0
