0 mol 24 unq 0 iso 0 dist 8.9776 6.75063 8.31631 9.21068 3.30351 6.55728 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.65754 5.61248 7.7447 13.5873 14.8484 8.21811 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.65754 5.61248 7.7447 7.84552 7.19357 5.13078 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.88072 4.5844 8.67216 7.75449 3.30907 9.26667 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 7.88072 4.5844 8.67216 10.5022 9.23676 9.99577 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 6.89855 5.74753 8.78414 9.25631 5.98039 6.8848 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 7.85738 5.82517 8.78414 7.87739 5.98039 6.8848 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 5.26566 9.4465 8.71074 9.00217 5.29172 6.33905 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 7.17133 15.9536 9.08745 19.064 14.1026 8.42633 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 4.8983 5.75925 4.27766 9.563 10.9695 8.31317 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 8.91998 5.09341 7.71625 9.00799 4.52107 5.97918 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 9.02905 8.32734 4.3439 14.5096 6.00009 7.64172 numMergedOcc 0
12 mol 107 unq 0 iso 0 dist 7.2168 9.89064 5.31375 6.99676 3.35244 6.71858 numMergedOcc 0
13 mol 107 unq 1 iso 0 dist 7.2168 13.076 6.49371 15.8014 12.3779 9.26113 numMergedOcc 0
14 mol 107 unq 2 iso 0 dist 7.2168 13.076 6.49371 6.99676 3.35244 9.37159 numMergedOcc 0
15 mol 157 unq 0 iso 0 dist 8.36016 5.332 7.91458 13.074 10.3822 8.61764 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 6.06793 6.97024 7.99036 10.3434 13.0505 9.1447 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 9.09279 15.5357 9.81261 15.1633 13.3681 9.03266 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 9.84028 8.2786 5.6417 12.7212 5.14008 9.43831 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 6.90472 4.35925 9.73217 8.99274 5.99357 9.46465 numMergedOcc 0
