0 mol 17 unq 0 iso 0 dist 9.84064 8.84341 16.4709 12.3102 21.7182 7.92012 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.96836 7.02884 13.5569 12.9838 17.2477 7.92012 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 7.66522 8.84341 13.9821 12.3102 17.7963 7.92012 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 8.49309 7.02884 13.9821 12.9838 17.7963 7.92012 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 7.85354 7.89222 6.76331 10.7484 5.56687 6.93197 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 6.85245 9.53735 5.60332 12.3478 10.2205 7.35861 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 8.43571 9.34599 5.60332 13.7277 10.2205 7.35861 numMergedOcc 0
7 mol 26 unq 3 iso 0 dist 8.43571 6.32127 7.30207 8.08257 11.2685 6.56527 numMergedOcc 0
8 mol 53 unq 0 iso 0 dist 6.86092 5.66861 6.52918 6.80569 12.4114 8.81982 numMergedOcc 0
9 mol 53 unq 1 iso 0 dist 6.86092 5.66861 6.52918 8.93925 12.3039 8.94227 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 9.1695 5.0478 11.6507 6.85941 12.5611 9.17082 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.93751 6.73172 9.76776 12.4858 16.704 7.80873 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 9.09071 7.85045 10.5909 7.3393 8.3971 8.38606 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 7.7367 7.85045 6.2875 7.3393 6.74026 8.38606 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 7.21606 5.6688 5.10499 4.75774 9.2933 7.22883 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 7.64898 9.20651 4.66376 5.87654 6.45143 5.70795 numMergedOcc 0
16 mol 247 unq 0 iso 0 dist 8.0367 6.76933 11.1195 6.25568 11.2454 8.45756 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.7368 5.62568 5.1517 5.48793 10.6514 6.95912 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 7.7368 5.62568 5.1517 5.48793 10.6514 6.95912 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 7.7368 5.62568 5.1517 5.48793 10.6514 6.95912 numMergedOcc 0
