0 mol 19 unq 0 iso 0 dist 5.9255 7.50106 7.42956 7.97654 5.53102 4.73459 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 6.4074 6.44057 5.11883 5.31696 8.19319 5.34619 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 6.29578 5.28233 8.81141 5.86076 6.29237 4.50327 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 6.29578 5.28233 8.81141 8.72513 9.24286 6.6307 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 5.70349 5.85389 5.44124 5.03904 7.21175 6.86525 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 9.94222 10.0222 8.28877 3.7742 7.60427 6.94466 numMergedOcc 0
6 mol 107 unq 0 iso 0 dist 7.06322 13.6946 6.93417 4.05182 6.71858 12.2443 numMergedOcc 0
7 mol 107 unq 1 iso 0 dist 7.06322 13.6946 6.93417 4.11617 9.37159 16.3052 numMergedOcc 0
8 mol 107 unq 2 iso 0 dist 7.06322 9.12502 6.36246 4.05182 6.71858 6.05753 numMergedOcc 0
9 mol 107 unq 3 iso 0 dist 7.06322 9.12502 6.36246 4.11617 9.37159 12.7816 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 5.6738 6.26274 8.97819 7.16792 6.41507 4.80714 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 5.6738 6.26274 8.97819 7.6316 6.03035 6.61205 numMergedOcc 0
12 mol 219 unq 0 iso 0 dist 9.72263 14.4125 9.09124 9.45086 6.44817 5.6233 numMergedOcc 0
13 mol 219 unq 1 iso 0 dist 9.72263 14.4125 9.09124 9.24289 9.36547 17.3856 numMergedOcc 0
14 mol 219 unq 2 iso 0 dist 9.65487 11.1547 9.09124 8.10855 6.44817 5.6233 numMergedOcc 0
15 mol 219 unq 3 iso 0 dist 9.65487 11.1547 9.09124 11.1295 9.36547 17.3856 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 9.46077 12.5471 9.18343 7.46055 6.23614 6.05548 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 8.65437 6.63243 9.18343 7.03597 6.23614 6.05548 numMergedOcc 0
18 mol 240 unq 0 iso 0 dist 9.70938 14.7658 7.35934 3.63494 7.39852 12.6944 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 7.06369 6.98442 5.04032 9.68392 5.087 8.48772 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 7.06369 7.41581 8.48397 9.68392 5.087 7.27631 numMergedOcc 0
