0 mol 29 unq 0 iso 0 dist 9.15151 6.37468 4.8437 11.1362 4.29308 5.09702 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.83766 9.67807 5.77851 14.1018 5.60844 7.27243 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 8.83766 9.67807 5.77851 12.3093 3.77551 8.23784 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 7.27268 6.54878 5.77851 10.9602 5.60844 7.27243 numMergedOcc 0
4 mol 30 unq 3 iso 0 dist 7.27268 6.54878 5.77851 10.1227 3.77551 8.23784 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 9.44189 4.55481 6.74143 7.18022 7.31884 7.01952 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 9.44189 4.55481 6.74143 6.24711 4.38777 4.58552 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 8.49118 7.31539 8.78084 12.4823 10.4936 8.66724 numMergedOcc 0
8 mol 66 unq 0 iso 0 dist 6.49416 9.13099 9.31667 14.5677 12.512 9.6145 numMergedOcc 0
9 mol 66 unq 1 iso 0 dist 6.49416 9.13099 9.31667 13.8518 10.573 8.32859 numMergedOcc 0
10 mol 105 unq 0 iso 0 dist 8.63784 5.36369 4.61871 11.2552 5.37591 9.17843 numMergedOcc 0
11 mol 157 unq 0 iso 0 dist 7.02823 9.13808 7.98849 17.0482 12.9885 8.40821 numMergedOcc 0
12 mol 157 unq 1 iso 0 dist 7.02823 9.13808 7.98849 16.8612 11.6191 9.86925 numMergedOcc 0
13 mol 157 unq 2 iso 0 dist 8.97404 10.308 7.98849 12.5116 12.9885 8.40821 numMergedOcc 0
14 mol 157 unq 3 iso 0 dist 8.97404 10.308 7.98849 13.9545 11.6191 9.86925 numMergedOcc 0
15 mol 157 unq 4 iso 0 dist 6.8364 10.308 7.30209 12.5116 7.84326 8.40821 numMergedOcc 0
16 mol 157 unq 5 iso 0 dist 6.8364 10.308 7.30209 13.9545 7.43721 9.86925 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 6.36868 6.86812 6.92359 9.08274 5.40635 8.75024 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 9.94707 7.07534 9.4861 14.4021 9.78571 9.91727 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 6.29592 12.3129 9.3174 15.7221 15.2922 9.95026 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 8.29133 10.1881 8.52247 15.41 13.1424 7.90657 numMergedOcc 0
21 mol 213 unq 1 iso 0 dist 8.96646 13.4142 8.52247 19.6346 13.1424 7.90657 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 6.83371 10.0028 5.79887 10.0726 4.27423 5.72 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 6.83371 5.77706 5.27254 10.0726 4.27423 6.84052 numMergedOcc 0
24 mol 222 unq 2 iso 0 dist 6.83371 5.77706 5.27254 11.2106 8.51531 9.58086 numMergedOcc 0
