0 mol 1 unq 0 iso 0 dist 9.34725 6.41817 5.19589 7.49891 12.7289 7.83632 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.30501 6.41817 13.1116 7.49891 16.2414 7.83632 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.84064 8.84341 16.4709 14.8804 24.3275 9.877 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 7.96836 7.02884 13.5569 12.5119 13.7178 9.877 numMergedOcc 0
4 mol 17 unq 2 iso 0 dist 7.66522 8.84341 13.9821 14.8804 17.9291 9.877 numMergedOcc 0
5 mol 17 unq 3 iso 0 dist 8.49309 7.02884 13.9821 12.5119 17.9291 9.877 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.85354 7.89222 6.76331 14.0527 11.0406 7.3022 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 6.85245 9.53735 5.60332 5.19563 7.24149 7.22361 numMergedOcc 0
8 mol 26 unq 2 iso 0 dist 6.85245 9.53735 5.60332 14.2716 8.63881 6.15893 numMergedOcc 0
9 mol 26 unq 3 iso 0 dist 8.43571 9.34599 5.60332 14.7857 7.24149 7.22361 numMergedOcc 0
10 mol 26 unq 4 iso 0 dist 8.43571 9.34599 5.60332 7.23962 8.63881 6.15893 numMergedOcc 0
11 mol 26 unq 5 iso 0 dist 8.43571 6.32127 7.30207 7.23962 8.63881 5.497 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 9.1695 5.0478 11.6507 5.59128 14.6744 6.30987 numMergedOcc 0
13 mol 87 unq 0 iso 0 dist 9.99609 7.14461 4.99645 5.75754 9.53368 7.2268 numMergedOcc 0
14 mol 87 unq 1 iso 0 dist 9.99609 7.14461 4.99645 7.55769 6.54532 8.31175 numMergedOcc 0
15 mol 87 unq 2 iso 0 dist 7.08616 7.14461 10.6701 5.75754 9.64421 7.2268 numMergedOcc 0
16 mol 87 unq 3 iso 0 dist 7.08616 7.14461 10.6701 7.55769 14.5217 8.31175 numMergedOcc 0
17 mol 87 unq 4 iso 0 dist 7.83182 7.14461 7.79329 5.75754 6.72471 7.2268 numMergedOcc 0
18 mol 87 unq 5 iso 0 dist 7.83182 7.14461 7.79329 7.55769 13.3426 8.31175 numMergedOcc 0
19 mol 103 unq 0 iso 0 dist 7.68908 6.87901 10.3138 7.80268 13.4182 9.07734 numMergedOcc 0
20 mol 103 unq 1 iso 0 dist 7.95587 6.87901 8.49357 7.80268 10.9536 9.07734 numMergedOcc 0
21 mol 116 unq 0 iso 0 dist 9.09071 7.85045 10.5909 4.98814 12.0097 7.35992 numMergedOcc 0
22 mol 116 unq 1 iso 0 dist 9.09071 7.85045 10.5909 9.53721 11.7331 6.49383 numMergedOcc 0
23 mol 116 unq 2 iso 0 dist 7.7367 7.85045 6.2875 4.98814 9.49798 7.35992 numMergedOcc 0
24 mol 116 unq 3 iso 0 dist 7.7367 7.85045 6.2875 9.53721 8.31955 6.49383 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 7.82113 6.1338 5.01686 7.47532 6.02957 9.33696 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 6.73849 6.78301 6.57707 6.39326 10.8845 5.98039 numMergedOcc 0
27 mol 237 unq 1 iso 0 dist 9.43875 6.78301 6.45163 6.39326 6.56421 5.98039 numMergedOcc 0
28 mol 254 unq 0 iso 0 dist 9.61808 9.00866 6.5652 13.4991 15.2107 8.94909 numMergedOcc 0
