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 6.77783 8.63881 5.497 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.2772 9.30674 5.60332 11.3546 7.24149 7.22361 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 9.2772 9.30674 5.60332 5.24037 8.63881 6.15893 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 6.51139 5.31016 7.22315 5.14132 10.8516 6.73801 numMergedOcc 0
6 mol 41 unq 1 iso 0 dist 6.91278 5.31016 4.65104 5.14132 9.22814 6.73801 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 9.2228 6.94677 5.04866 7.43727 12.3244 7.46994 numMergedOcc 0
8 mol 64 unq 0 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 114 unq 2 iso 0 dist 8.79677 8.27794 11.1547 11.5542 15.8301 6.51395 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 5.84909 7.31633 5.10826 6.2062 7.46812 7.34698 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 9.73865 8.30496 4.11501 4.06022 8.37295 8.75562 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 9.73865 6.78469 7.22151 4.06022 8.37295 8.00449 numMergedOcc 0
15 mol 141 unq 2 iso 0 dist 8.52591 8.01453 7.22151 6.47962 8.37295 8.00449 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 175 unq 0 iso 0 dist 8.57666 7.42278 10.4516 4.65504 10.3725 7.04177 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 6.24616 10.4888 5.97685 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 6.60648 9.07527 12.2278 12.5567 16.712 8.9289 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 9.35664 8.13947 7.07871 4.04021 7.87044 9.82588 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.91128 7.26887 4.04422 11.0995 10.136 7.04753 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 9.55645 9.28598 9.30696 10.8036 16.0462 8.00537 numMergedOcc 0
