0 mol 26 unq 0 iso 0 dist 7.24149 8.63881 11.3644 5.60332 7.22361 6.15893 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.63881 7.24149 11.3644 5.60332 6.15893 7.22361 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.63881 7.24149 11.3644 7.30207 5.497 11.4325 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 5.1488 7.77991 6.23335 8.95689 9.32552 14.987 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 6.22308 7.0495 4.25121 9.90132 9.48582 13.5058 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.17967 9.74201 13.9732 9.40625 9.63599 18.9492 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 9.53368 6.54532 8.12939 4.99645 7.2268 8.31175 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 9.53368 6.54532 8.12939 6.39199 9.69219 11.679 numMergedOcc 0
8 mol 87 unq 2 iso 0 dist 6.54532 9.53368 8.12939 5.42671 9.28624 12.484 numMergedOcc 0
9 mol 87 unq 3 iso 0 dist 6.54532 9.53368 8.12939 4.99645 8.31175 7.2268 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.9778 6.27701 7.50948 9.72019 6.13559 6.51395 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 6.27701 9.9778 7.50948 9.72019 6.51395 6.13559 numMergedOcc 0
12 mol 114 unq 2 iso 0 dist 6.06039 9.36502 5.74742 11.1547 9.83981 6.13559 numMergedOcc 0
13 mol 114 unq 3 iso 0 dist 9.36502 6.06039 5.74742 11.1547 6.13559 9.83981 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 9.49798 8.31955 6.36898 6.2875 7.35992 6.49383 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 8.31955 9.49798 6.36898 6.2875 6.49383 7.35992 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 6.27859 6.28535 7.41037 4.1584 4.25566 6.63171 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 6.27859 6.28535 7.41037 9.5453 7.31037 12.7865 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 6.28535 6.27859 7.41037 4.1584 6.63171 4.25566 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 9.84931 5.58605 7.98994 5.7899 8.08764 9.01462 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 5.58605 9.84931 7.98994 5.7899 9.01462 8.08764 numMergedOcc 0
21 mol 250 unq 0 iso 0 dist 9.45903 8.51531 4.81479 8.13148 5.97993 6.44252 numMergedOcc 0
22 mol 250 unq 1 iso 0 dist 8.51531 9.45903 4.81479 8.13148 6.44252 5.97993 numMergedOcc 0
