0 mol 11 unq 0 iso 0 dist 9.23212 9.74528 9.68636 11.5768 12.2274 4.79838 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 8.52254 7.53194 3.53534 6.79455 7.41857 9.28732 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.36645 5.43913 3.63758 4.16088 8.09058 7.03832 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 5.36645 8.26877 6.88863 4.16088 8.09058 7.16443 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.89758 8.10222 8.42491 8.4264 12.367 7.08628 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 8.62769 6.81735 6.91496 6.24596 10.266 9.03391 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 4.24428 7.02693 3.85805 5.14919 5.64598 7.78587 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.30194 7.02693 5.17781 5.14919 4.65521 7.78587 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 7.01889 8.58248 4.73407 15.124 8.70133 7.78587 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 4.83274 5.91098 3.69293 13.8036 9.49449 8.90522 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 7.89214 4.86523 3.69293 6.63393 9.49449 8.90522 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 8.19156 8.53631 4.97363 15.2678 11.3421 8.61909 numMergedOcc 0
12 mol 114 unq 1 iso 0 dist 8.19156 8.53631 4.97363 5.01204 6.96442 5.96977 numMergedOcc 0
13 mol 114 unq 2 iso 0 dist 9.54589 8.53631 15.1362 15.2678 20.0606 8.61909 numMergedOcc 0
14 mol 114 unq 3 iso 0 dist 9.54589 8.53631 15.1362 5.01204 13.2753 5.96977 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 6.73365 8.06007 12.5746 14.9849 20.1587 7.6077 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 9.45659 8.06007 13.5565 14.9849 20.8892 7.6077 numMergedOcc 0
17 mol 175 unq 2 iso 0 dist 9.44856 8.06007 9.03819 14.9849 15.3782 7.6077 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 7.7292 6.46946 6.49075 11.695 5.90931 9.58537 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 6.27396 6.46946 8.62057 11.695 16.9866 9.58537 numMergedOcc 0
20 mol 228 unq 0 iso 0 dist 9.4597 6.9196 4.34361 6.24124 12.2721 8.29523 numMergedOcc 0
21 mol 228 unq 1 iso 0 dist 9.29603 6.72203 3.83677 6.22795 11.7433 8.13557 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.89538 8.62485 5.7648 13.2905 6.77463 8.71877 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 7.98022 8.62485 9.79922 13.2905 14.1514 8.71877 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 7.54586 6.33954 4.6374 5.34142 8.09363 5.85613 numMergedOcc 0
