0 mol 21 unq 0 iso 0 dist 5.27589 9.24767 8.60952 8.36356 7.30397 14.6555 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.78749 8.48944 13.2768 6.2838 8.3964 9.84204 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.78749 9.04448 10.4819 6.2838 8.3964 6.61696 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 4.78749 6.6834 5.61248 6.2838 8.3964 5.80953 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.3613 5.39587 9.0284 10.5928 8.58962 11.0209 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 9.3613 6.47252 14.6063 10.5928 8.58962 14.6335 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 6.68599 4.29713 6.02913 13.8714 9.18836 10.2578 numMergedOcc 0
7 mol 41 unq 1 iso 0 dist 6.68599 4.29713 6.02913 7.50942 6.07294 6.21128 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.23755 7.10218 4.93697 15.0981 6.82707 8.4701 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 7.90927 9.16431 5.21593 12.5434 8.62829 13.6877 numMergedOcc 0
10 mol 102 unq 1 iso 0 dist 6.7095 9.16431 10.2581 11.7136 9.2062 16.2604 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 7.11102 8.54304 11.5247 11.6661 7.81731 11.7584 numMergedOcc 0
12 mol 128 unq 0 iso 0 dist 7.94925 6.78833 9.41812 5.8344 6.51968 11.215 numMergedOcc 0
13 mol 128 unq 1 iso 0 dist 7.94925 6.78833 9.41812 10.172 7.61237 12.9649 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.19029 8.8639 7.17096 5.16948 8.36723 13.4396 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 5.19029 7.32009 7.88526 5.16948 8.36723 12.2289 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 6.58174 7.59666 5.9546 11.4894 9.23676 14.3103 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 6.58174 6.51936 5.9943 11.4894 9.23676 9.94968 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 5.46484 5.9625 7.69003 5.69026 8.88405 11.5348 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 5.46484 5.9625 7.69003 8.22446 7.13854 13.474 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.49961 9.77592 10.87 9.7952 6.91534 15.4836 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 8.49961 9.77592 10.87 10.1967 8.67704 17.865 numMergedOcc 0
22 mol 250 unq 0 iso 0 dist 9.79531 8.43058 5.17779 6.04958 9.5746 10.9081 numMergedOcc 0
23 mol 250 unq 1 iso 0 dist 5.97672 8.51613 5.16962 5.61043 8.85979 9.30531 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 6.20998 7.30349 10.7368 7.30886 6.77259 13.281 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 4.49395 7.12723 5.62841 9.67478 6.46935 11.1524 numMergedOcc 0
