0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 12.1303 7.48342 11.2317 17.0279 12.2746 15.9613 6.31608 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 8.67951 9.01567 13.4393 12.0986 8.92779 12.3897 7.03544 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 8.67951 9.01567 13.4393 12.6643 9.76111 18.0724 6.93597 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 16.3188 13.7992 13.2846 7.85986 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 12.0986 8.92779 12.3897 4.30252 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 16.3188 13.2846 13.7992 7.85986 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 12.0986 12.3897 8.92779 4.30252 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 5.54419 7.36323 12.3067 5.59311 8.70827 9.12854 11.0056 13.0224 10.0711 8.67426 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 7.36323 5.54419 12.3067 5.59311 9.12854 8.70827 11.0056 10.0711 13.0224 8.67426 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 6.83299 9.5589 5.08001 4.29856 6.14538 10.6808 8.31068 7.15034 11.6538 5.27979 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 6.83299 8.10861 14.2075 4.29856 6.14538 10.4158 8.31068 7.15034 15.3154 5.27979 numMergedOcc 0
11 mol 61 unq 0 iso 0 dist 6.65721 6.72123 6.86346 13.5488 9.25641 14.4663 15.0824 9.57611 16.197 9.83914 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.29301 9.82915 12.0078 15.4008 11.9949 16.5853 8.04853 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 7.97049 6.19965 5.42586 9.29301 9.82915 12.0078 12.1279 13.3089 16.2205 6.46549 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 7.47541 7.66905 5.42586 13.5116 9.82915 12.0078 16.4749 11.9949 16.5853 8.04853 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 7.47541 7.66905 5.42586 13.5116 9.82915 12.0078 14.5106 13.3089 16.2205 6.46549 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 7.47541 5.73196 6.87425 13.5116 9.82915 14.4382 16.4749 11.9949 14.4698 8.04853 numMergedOcc 0
17 mol 85 unq 5 iso 0 dist 7.47541 5.73196 6.87425 13.5116 9.82915 14.4382 14.5106 13.3089 15.087 6.46549 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 8.91338 8.90963 16.082 11.8368 11.618 19.3579 9.20617 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 9.81073 8.90963 18.0578 15.9184 11.618 21.3999 9.20617 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 10.3603 5.44002 12.3113 9.44789 4.30308 9.96193 7.13824 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 10.3603 5.44002 17.9798 9.44789 4.30308 15.3137 7.13824 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 7.7366 9.774 5.63422 6.45859 6.16414 7.75885 11.1153 4.46135 3.56132 7.9416 numMergedOcc 0
23 mol 206 unq 1 iso 0 dist 9.774 7.7366 5.63422 6.45859 7.75885 6.16414 11.1153 3.56132 4.46135 7.9416 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 6.60405 6.42289 7.26417 5.63675 7.21311 11.2102 12.3236 11.9728 17.0297 9.36974 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 5.29529 8.52587 11.6126 11.8311 12.5154 14.1901 8.09181 numMergedOcc 0
