0 mol 18 unq 0 iso 0 dist 4.66195 4.76462 5.59658 11.5506 9.4067 8.80193 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.36742 10.4631 9.82851 9.03539 12.6238 7.22361 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.36742 10.4631 9.82851 13.053 7.97596 6.15893 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.36742 12.1978 9.11311 13.053 7.97596 5.497 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 9.63616 5.01159 5.27979 8.41365 10.2702 6.30987 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.60619 9.72544 6.72546 11.9417 4.35906 7.87237 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 9.3873 16.7805 8.31198 14.8345 8.4466 6.93279 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 9.66726 16.2362 8.31198 11.8083 8.4466 6.93279 numMergedOcc 0
8 mol 135 unq 0 iso 0 dist 6.63808 11.5311 7.02963 17.4551 12.1938 9.15377 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 7.57472 6.69013 4.92382 8.10681 9.08526 4.25566 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 7.57472 6.69013 4.92382 4.69823 8.96466 6.63171 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 7.57472 6.69013 4.92382 10.3062 11.4814 7.67273 numMergedOcc 0
12 mol 141 unq 3 iso 0 dist 7.43045 10.537 9.62774 15.0435 9.53687 8.00449 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 7.10869 5.81919 4.51777 9.21278 6.54263 9.19117 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 7.10869 5.81919 4.51777 10.3967 3.63393 6.26365 numMergedOcc 0
15 mol 175 unq 2 iso 0 dist 7.10869 7.35345 4.9606 10.3967 3.63393 7.04177 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.45086 9.57677 8.2241 11.6591 6.54455 8.97471 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 8.24401 8.89634 9.82605 17.8247 14.6606 9.58354 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 8.44543 8.89634 9.73723 17.8247 15.2949 9.58354 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 8.3597 5.9669 4.36333 10.3128 3.89364 7.48269 numMergedOcc 0
20 mol 256 unq 1 iso 0 dist 8.3597 7.26382 6.96483 10.3128 3.89364 6.71249 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 9.57637 13.8928 9.25759 16.8782 8.99193 5.59555 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 9.57637 13.8928 9.25759 16.8782 8.99193 5.59555 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 9.57637 13.8928 9.25759 16.8782 8.99193 5.59555 numMergedOcc 0
24 mol 291 unq 0 iso 0 dist 7.02207 4.23643 5.40381 6.29284 3.70474 6.27039 numMergedOcc 0
