0 mol 10 unq 0 iso 0 dist 5.66059 7.48812 9.88507 13.5197 10.9227 9.97671 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 5.99743 8.22631 9.39017 11.9234 10.772 9.6451 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 5.99743 8.22631 9.39017 13.074 11.9147 5.8369 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 6.67704 7.66677 8.07997 6.93709 3.28726 5.42426 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 6.67079 5.46097 8.07997 6.38271 3.28726 5.42426 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.98874 5.38061 8.50475 11.5605 3.50984 9.55284 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 9.98874 10.0724 7.66163 14.0797 5.39812 7.33788 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 9.98874 10.0724 7.66163 12.564 3.59761 9.74351 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 9.98874 10.0724 7.66163 11.5605 3.50984 7.36877 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 9.98874 10.9367 9.48288 14.0797 5.39812 8.52681 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 9.98874 10.9367 9.48288 12.564 3.59761 9.98769 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 5.76862 9.3097 8.60004 6.1247 4.03185 8.76245 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 8.30857 7.66859 5.24076 13.0272 8.8681 5.64732 numMergedOcc 0
13 mol 168 unq 1 iso 0 dist 8.30857 7.66859 5.24076 11.3231 3.73181 5.52214 numMergedOcc 0
14 mol 168 unq 2 iso 0 dist 8.30857 7.66859 5.24076 7.667 5.71136 5.80055 numMergedOcc 0
15 mol 168 unq 3 iso 0 dist 8.30857 7.66859 5.24076 10.4816 5.46307 7.44481 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 5.25309 6.66501 7.08557 8.07518 3.67187 8.76671 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.77158 8.24186 8.91143 16.7035 14.9837 8.92335 numMergedOcc 0
18 mol 203 unq 0 iso 0 dist 8.83947 5.8706 8.22927 13.4357 12.6986 9.91254 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 6.62013 7.8719 7.59757 5.8294 6.52211 8.98633 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.06003 6.13765 9.78347 8.67956 3.95528 8.06847 numMergedOcc 0
