0 mol 11 unq 0 iso 0 dist 7.63146 6.0074 8.91017 6.84992 9.93748 9.29056 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 8.71324 11.0644 7.72437 7.61052 9.899 9.29051 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 8.35786 9.83326 5.92974 11.3309 9.76849 8.40245 numMergedOcc 0
3 mol 88 unq 1 iso 0 dist 8.35786 9.83326 5.92974 8.233 9.18365 6.47627 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 8.65807 9.17181 6.26422 9.41378 7.15213 12.2186 numMergedOcc 0
5 mol 130 unq 1 iso 0 dist 8.65807 9.17181 6.26422 7.46055 8.86516 12.4531 numMergedOcc 0
6 mol 168 unq 0 iso 0 dist 9.5214 5.31253 9.16691 10.0341 5.03696 9.05528 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 9.35708 7.35928 5.80433 14.2497 5.27578 8.96928 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 9.35708 12.1373 6.8285 14.2497 5.27578 6.66771 numMergedOcc 0
9 mol 186 unq 2 iso 0 dist 8.40313 7.35928 6.49786 14.2497 8.25953 8.96928 numMergedOcc 0
10 mol 186 unq 3 iso 0 dist 8.40313 12.1373 8.43154 14.2497 8.25953 6.66771 numMergedOcc 0
11 mol 187 unq 0 iso 0 dist 9.55621 13.4754 6.56642 11.4507 5.7938 4.36904 numMergedOcc 0
12 mol 187 unq 1 iso 0 dist 9.55621 5.11961 7.9625 11.4507 5.7938 9.20573 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 6.58174 4.71843 9.01377 5.10199 5.81438 9.00714 numMergedOcc 0
14 mol 215 unq 0 iso 0 dist 8.57913 4.54909 7.60635 5.25252 8.28951 6.71928 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 7.70005 6.84018 7.89936 5.70815 8.98494 10.9498 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 6.3687 11.8345 7.45381 3.70516 8.31266 11.6435 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 8.88435 7.10197 6.45422 4.68897 9.52528 10.3708 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.46926 8.76358 5.45375 5.78744 8.62843 7.54682 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 9.46926 10.6001 9.9145 5.78744 8.62843 5.72821 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 7.29081 9.70951 6.59786 15.3556 8.66133 8.0478 numMergedOcc 0
21 mol 273 unq 1 iso 0 dist 7.29081 9.70951 6.59786 4.3735 6.95569 10.0013 numMergedOcc 0
22 mol 273 unq 2 iso 0 dist 7.29081 5.35494 7.96519 15.3556 8.66133 14.4172 numMergedOcc 0
23 mol 273 unq 3 iso 0 dist 7.29081 5.35494 7.96519 4.3735 6.95569 4.42663 numMergedOcc 0
24 mol 284 unq 0 iso 0 dist 9.70969 12.7407 8.7448 5.00644 8.82415 10.3044 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 4.49395 12.0595 7.61398 7.14335 5.49829 8.8752 numMergedOcc 0
26 mol 285 unq 1 iso 0 dist 4.49395 12.0595 7.61398 7.67857 6.24134 10.6055 numMergedOcc 0
