0 mol 26 unq 0 iso 0 dist 7.10804 15.2306 8.36742 14.5987 8.90517 8.97754 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.64424 8.82979 8.36742 13.5781 8.90517 8.97754 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.32784 10.9344 5.75809 13.3971 6.51818 9.2146 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.10681 15.0854 7.07773 16.8345 8.03682 7.34832 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 7.47638 3.96491 8.5893 9.15499 6.28359 9.59073 numMergedOcc 0
5 mol 39 unq 0 iso 0 dist 7.95922 5.05915 8.82943 11.7402 7.71511 8.68887 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 8.80303 10.3901 7.62814 19.3068 13.2646 9.41463 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 6.05736 9.87425 6.82267 19.4014 15.5585 9.87354 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 8.34007 6.88393 6.82267 13.6079 15.5585 9.87354 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 7.2409 3.35238 8.84926 11.8762 14.8893 8.7121 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 7.83642 7.10068 8.27988 10.6511 7.41929 4.97301 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 7.10646 9.35225 5.04072 10.1483 4.8189 6.31365 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 9.26044 11.2097 7.14918 15.1546 6.96767 7.97504 numMergedOcc 0
13 mol 251 unq 0 iso 0 dist 9.71053 3.46172 9.20256 5.85851 7.52349 7.72528 numMergedOcc 0
14 mol 264 unq 0 iso 0 dist 9.03169 3.9472 9.26331 6.66615 4.97003 8.55386 numMergedOcc 0
15 mol 279 unq 0 iso 0 dist 5.15432 11.1754 7.72276 9.16404 4.1816 7.90632 numMergedOcc 0
16 mol 279 unq 1 iso 0 dist 8.2375 9.62805 7.72276 11.7177 4.1816 7.90632 numMergedOcc 0
17 mol 279 unq 2 iso 0 dist 9.23951 8.30922 7.72276 12.4902 4.1816 7.90632 numMergedOcc 0
18 mol 279 unq 3 iso 0 dist 5.90003 3.83238 5.16266 5.35326 5.03747 4.98693 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 8.85872 3.76412 9.2144 9.98518 9.11127 8.06767 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 8.85872 3.76412 9.2144 10.8038 18.3972 9.91087 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 8.85872 3.76412 9.2144 9.98518 9.11127 8.06767 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 8.85872 3.76412 9.2144 10.8038 18.3972 9.91087 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 8.85872 3.76412 9.2144 9.98518 9.11127 8.06767 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 8.85872 3.76412 9.2144 10.8038 18.3972 9.91087 numMergedOcc 0
