0 mol 27 unq 0 iso 0 dist 8.11206 8.71752 4.73598 7.60283 7.47886 9.51391 numMergedOcc 0
1 mol 27 unq 0 iso 1 dist 8.11206 7.60283 7.47886 8.71752 4.73598 9.51391 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.71914 8.2946 6.45654 9.25346 11.9626 6.47508 numMergedOcc 0
3 mol 34 unq 0 iso 1 dist 7.71914 9.25346 11.9626 8.2946 6.45654 6.47508 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.13782 7.21995 9.85038 9.62637 13.1805 5.69343 numMergedOcc 0
5 mol 45 unq 0 iso 1 dist 8.13782 9.62637 13.1805 7.21995 9.85038 5.69343 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.94276 6.51868 6.00607 7.34698 12.0514 7.33253 numMergedOcc 0
7 mol 133 unq 0 iso 1 dist 9.94276 7.34698 12.0514 6.51868 6.00607 7.33253 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.05357 6.51868 10.2267 7.34698 14.5639 7.33253 numMergedOcc 0
9 mol 133 unq 1 iso 1 dist 9.05357 7.34698 14.5639 6.51868 10.2267 7.33253 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 5.99299 6.51868 5.59913 7.34698 6.27692 7.33253 numMergedOcc 0
11 mol 133 unq 2 iso 1 dist 5.99299 7.34698 6.27692 6.51868 5.59913 7.33253 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.2135 5.26989 8.7258 7.76442 6.67552 6.55489 numMergedOcc 0
13 mol 141 unq 0 iso 1 dist 6.2135 7.76442 6.67552 5.26989 8.7258 6.55489 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 7.37901 9.80845 5.50045 7.55196 6.40403 6.56063 numMergedOcc 0
15 mol 155 unq 0 iso 1 dist 7.37901 7.55196 6.40403 9.80845 5.50045 6.56063 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 9.79554 8.41245 12.6533 6.64779 15.1434 7.69792 numMergedOcc 0
17 mol 173 unq 0 iso 1 dist 9.79554 6.64779 15.1434 8.41245 12.6533 7.69792 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 4.79852 5.4997 4.30489 6.99693 4.57622 6.75531 numMergedOcc 0
19 mol 175 unq 0 iso 1 dist 4.79852 6.99693 4.57622 5.4997 4.30489 6.75531 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 4.55996 9.22384 6.09379 8.08737 6.99977 4.48107 numMergedOcc 0
21 mol 224 unq 0 iso 1 dist 4.55996 8.08737 6.99977 9.22384 6.09379 4.48107 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 5.32183 7.94068 4.51304 7.22019 6.56416 9.00021 numMergedOcc 0
23 mol 234 unq 0 iso 1 dist 5.32183 7.22019 6.56416 7.94068 4.51304 9.00021 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 6.00721 8.90076 13.3255 6.62002 9.71156 6.25098 numMergedOcc 0
25 mol 238 unq 0 iso 1 dist 6.00721 6.62002 9.71156 8.90076 13.3255 6.25098 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 7.25543 7.02079 7.4465 5.88802 6.76677 11.3911 numMergedOcc 0
27 mol 239 unq 0 iso 1 dist 7.25543 5.88802 6.76677 7.02079 7.4465 11.3911 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 9.69863 7.82157 4.45514 9.18069 6.77492 8.52019 numMergedOcc 0
29 mol 280 unq 0 iso 1 dist 9.69863 9.18069 6.77492 7.82157 4.45514 8.52019 numMergedOcc 0
