0 mol 10 unq 0 iso 0 dist 7.30932 12.6548 5.8369 18.4728 11.9147 9.39017 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 6.93709 7.66677 5.42426 6.67704 3.28726 8.07997 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 6.38271 5.46097 5.42426 6.67079 3.28726 8.07997 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 8.99393 8.16858 7.44805 10.8303 3.57198 6.02472 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.32699 13.3375 7.90416 12.1974 7.06935 8.82709 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 6.45933 8.95658 7.90416 11.5249 7.06935 8.82709 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.60619 5.46484 6.64921 9.02674 4.37918 5.72627 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 7.60619 5.46484 6.64921 12.7962 9.08423 7.68741 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 7.60619 5.46484 6.64921 14.8159 11.2822 9.86085 numMergedOcc 0
9 mol 79 unq 3 iso 0 dist 7.60619 5.46484 6.64921 12.4348 6.29733 9.76351 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.41675 5.38996 7.34765 9.99644 4.94367 9.75061 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 8.23311 5.12312 8.76245 9.7931 4.03185 8.60004 numMergedOcc 0
12 mol 154 unq 1 iso 0 dist 6.1247 9.3097 8.76245 5.76862 4.03185 8.60004 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 7.667 7.66859 5.80055 8.30857 5.71136 5.24076 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.93017 9.89828 9.73554 14.4684 15.2115 8.29782 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 6.93017 11.4926 8.65769 10.0416 3.72812 9.00621 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.07518 6.66501 8.76671 5.25309 3.67187 7.08557 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 5.8294 7.8719 8.98633 6.62013 6.52211 7.59757 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.67956 6.13765 8.06847 8.06003 3.95528 9.78347 numMergedOcc 0
