0 mol 42 unq 0 iso 0 dist 9.82637 9.37073 9.29873 12.2933 11.051 8.52824 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.51978 10.6593 5.59773 7.34695 5.65405 6.10175 numMergedOcc 0
2 mol 66 unq 0 iso 0 dist 8.04639 6.03391 9.37957 12.0224 6.90892 9.31938 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 6.9538 9.5165 7.38759 10.1847 4.82943 7.26246 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 6.9538 9.5165 7.38759 14.9414 10.602 8.6728 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 5.87387 5.6579 8.42445 11.8821 9.52181 8.592 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 9.41387 10.6263 7.70533 11.6976 5.34484 5.24519 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 5.09114 12.2043 8.33083 14.9426 11.9943 9.44209 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.07676 5.90964 7.44191 6.63046 5.32859 4.35909 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 6.07676 6.18164 6.00053 6.63046 5.32859 5.77393 numMergedOcc 0
10 mol 211 unq 0 iso 0 dist 9.82765 9.43858 8.63308 13.4145 7.03173 7.15386 numMergedOcc 0
11 mol 211 unq 1 iso 0 dist 9.82765 9.43858 8.63308 16.3392 11.6621 7.73993 numMergedOcc 0
12 mol 211 unq 2 iso 0 dist 9.82765 9.43858 8.63308 13.2505 8.91121 9.45365 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 6.82881 10.3239 4.58599 14.3724 8.28789 8.84278 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 6.83122 12.2514 8.49704 9.68994 5.68711 5.69733 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.96424 14.7144 8.48112 22.3512 16.2851 7.96759 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.96424 14.7144 8.48112 14.5687 10.3576 8.94384 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 8.93637 15.653 9.8711 12.9092 5.1021 8.58709 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.82174 10.7991 9.75174 11.1305 6.53984 6.32593 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 6.93507 6.06312 5.78121 10.5445 6.47697 5.66519 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 6.42827 6.06312 7.29898 10.5445 8.68833 5.66519 numMergedOcc 0
21 mol 249 unq 2 iso 0 dist 6.42827 10.3054 8.91685 10.5445 8.68833 6.50067 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 9.78185 11.3788 9.73021 19.0873 14.8036 8.04265 numMergedOcc 0
23 mol 252 unq 1 iso 0 dist 9.78185 11.3788 9.73021 17.2313 14.864 9.42193 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.27977 14.4082 8.13489 12.4699 5.31331 8.66917 numMergedOcc 0
25 mol 294 unq 0 iso 0 dist 8.84268 9.62469 9.06517 10.4601 6.25471 6.9719 numMergedOcc 0
