0 mol 11 unq 0 iso 0 dist 9.88519 8.89652 8.06254 11.7185 7.5459 11.1876 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 8.06254 8.89652 9.88519 11.1876 7.5459 11.7185 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.84341 7.77965 7.02884 12.3102 7.92012 12.9838 numMergedOcc 0
3 mol 17 unq 0 iso 1 dist 7.02884 7.77965 8.84341 12.9838 7.92012 12.3102 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.53735 15.2626 9.34599 12.3478 7.35861 13.7277 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 9.34599 15.2626 9.53735 13.7277 7.35861 12.3478 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 5.80996 6.00278 5.66861 4.42214 8.81982 6.80569 numMergedOcc 0
7 mol 53 unq 0 iso 1 dist 5.66861 6.00278 5.80996 6.80569 8.81982 4.42214 numMergedOcc 0
8 mol 53 unq 1 iso 0 dist 5.80996 6.00278 5.66861 6.58374 8.94227 8.93925 numMergedOcc 0
9 mol 53 unq 1 iso 1 dist 5.66861 6.00278 5.80996 8.93925 8.94227 6.58374 numMergedOcc 0
10 mol 65 unq 0 iso 0 dist 9.68286 11.3284 8.58416 8.24043 5.94206 4.91428 numMergedOcc 0
11 mol 65 unq 0 iso 1 dist 8.58416 11.3284 9.68286 4.91428 5.94206 8.24043 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 7.74952 10.8309 8.99674 3.98211 8.66165 12.4705 numMergedOcc 0
13 mol 91 unq 0 iso 1 dist 8.99674 10.8309 7.74952 12.4705 8.66165 3.98211 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 9.45931 15.437 6.49728 7.98447 6.75376 11.3904 numMergedOcc 0
15 mol 141 unq 0 iso 1 dist 6.49728 15.437 9.45931 11.3904 6.75376 7.98447 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 5.11863 6.72547 5.92785 6.2568 7.54099 9.41221 numMergedOcc 0
17 mol 184 unq 0 iso 1 dist 5.92785 6.72547 5.11863 9.41221 7.54099 6.2568 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 5.21339 8.14731 6.34867 10.6902 9.62455 13.7873 numMergedOcc 0
19 mol 196 unq 0 iso 1 dist 6.34867 8.14731 5.21339 13.7873 9.62455 10.6902 numMergedOcc 0
20 mol 256 unq 0 iso 0 dist 8.95444 11.8501 7.53508 9.21273 6.33496 11.5159 numMergedOcc 0
21 mol 256 unq 0 iso 1 dist 7.53508 11.8501 8.95444 11.5159 6.33496 9.21273 numMergedOcc 0
22 mol 256 unq 1 iso 0 dist 8.95444 11.8501 7.53508 7.94816 6.00636 12.9357 numMergedOcc 0
23 mol 256 unq 1 iso 1 dist 7.53508 11.8501 8.95444 12.9357 6.00636 7.94816 numMergedOcc 0
24 mol 256 unq 2 iso 0 dist 8.95444 11.8501 7.53508 9.60388 7.81448 4.03381 numMergedOcc 0
25 mol 256 unq 2 iso 1 dist 7.53508 11.8501 8.95444 4.03381 7.81448 9.60388 numMergedOcc 0
26 mol 256 unq 3 iso 0 dist 8.95444 11.8501 7.53508 10.878 8.54499 7.45598 numMergedOcc 0
27 mol 256 unq 3 iso 1 dist 7.53508 11.8501 8.95444 7.45598 8.54499 10.878 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 5.62568 12.8716 8.82948 5.48793 6.95912 10.7234 numMergedOcc 0
29 mol 287 unq 0 iso 1 dist 8.82948 12.8716 5.62568 10.7234 6.95912 5.48793 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 5.62568 12.8716 8.82948 5.48793 6.95912 10.7234 numMergedOcc 0
31 mol 288 unq 0 iso 1 dist 8.82948 12.8716 5.62568 10.7234 6.95912 5.48793 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 5.62568 12.8716 8.82948 5.48793 6.95912 10.7234 numMergedOcc 0
33 mol 289 unq 0 iso 1 dist 8.82948 12.8716 5.62568 10.7234 6.95912 5.48793 numMergedOcc 0
