0 mol 24 unq 0 iso 0 dist 8.48944 8.65417 7.96195 6.44893 5.11135 9.58012 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.6834 11.8013 8.24948 6.44893 9.57743 9.40479 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.6834 11.8013 8.24948 11.0829 4.47891 9.38831 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.74209 11.8036 7.15901 13.1618 4.55347 7.31982 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.85555 9.77201 7.15901 11.7519 4.55347 7.31982 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 7.07124 8.45716 5.07125 14.4742 8.12964 6.91393 numMergedOcc 0
6 mol 56 unq 1 iso 0 dist 7.07124 8.45716 5.07125 16.2833 11.6453 8.40038 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.49235 7.46124 7.8435 9.84042 4.97727 5.51624 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.49235 7.46124 7.8435 9.24872 13.8087 7.8674 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 7.19431 7.46124 5.99269 9.84042 5.77343 5.51624 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 7.19431 7.46124 5.99269 9.24872 9.96831 7.8674 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.7231 5.8592 6.78801 8.51895 4.24991 7.76594 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 5.05627 4.86119 6.77921 12.1282 10.2834 8.26172 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.4275 12.369 7.1069 18.8349 10.6183 8.60521 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 9.4275 12.369 7.1069 13.8395 4.71678 6.39031 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 8.59532 8.65195 7.97022 6.03116 9.30554 9.14458 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.95209 8.49599 6.07389 11.0385 10.8203 8.12349 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 7.95045 5.63924 5.9974 10.988 4.34126 8.55481 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 6.19564 9.39438 9.50634 10.072 5.38958 8.3149 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 7.62783 5.94557 8.63754 10.6809 5.69778 7.97588 numMergedOcc 0
