0 mol 9 unq 0 iso 0 dist 9.27637 6.11048 6.00657 15.0681 8.55446 14.2464 9.75403 4.74921 9.39176 5.40172 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.27637 6.11048 6.00657 11.8296 6.59455 11.0886 9.75403 4.74921 9.39176 3.91893 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 9.27637 6.11048 6.00657 5.67536 5.71201 6.59312 9.75403 4.74921 9.39176 4.94281 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 4.93188 8.23075 4.21283 5.11617 4.90592 7.85986 13.5399 9.65174 8.25818 9.63925 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 4.93188 8.23075 4.21283 10.8238 8.16324 11.0098 13.5399 9.65174 8.25818 12.5427 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 4.93188 4.7841 4.97191 5.11617 4.90592 4.30252 13.5399 9.65174 10.2171 9.63925 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 4.93188 4.7841 4.97191 10.8238 8.16324 12.496 13.5399 9.65174 10.2171 12.5427 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 8.44506 7.98005 12.4814 10.9837 9.5053 9.11311 6.33493 9.41425 10.2035 8.58071 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 8.44506 8.31381 15.4838 10.9837 9.5053 15.3903 6.33493 9.41425 13.0668 8.58071 numMergedOcc 0
9 mol 28 unq 0 iso 0 dist 7.28416 8.95154 6.37119 8.4285 7.40415 5.19518 4.55829 8.75468 8.67077 10.4406 numMergedOcc 0
10 mol 28 unq 1 iso 0 dist 7.28416 8.95154 6.37119 8.4285 7.40415 5.19518 5.13816 7.62989 10.4857 12.0524 numMergedOcc 0
11 mol 28 unq 2 iso 0 dist 7.28416 8.95154 6.37119 8.4285 7.40415 5.19518 7.07342 5.70238 11.286 10.0581 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 8.00777 9.01812 4.06365 11.165 8.70863 10.3185 5.76272 5.72961 4.18248 11.5785 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 5.49226 8.39897 7.88487 11.1681 7.25644 13.9156 4.19634 7.19893 5.19116 13.5462 numMergedOcc 0
14 mol 147 unq 1 iso 0 dist 5.49226 8.39897 7.88487 11.1681 7.25644 13.9156 4.45407 6.37938 8.45156 13.2259 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 6.20182 7.93088 5.21512 4.20425 7.14263 5.67088 4.51281 9.56342 10.7246 6.17752 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 6.20182 7.93088 5.21512 6.07158 8.57005 12.4379 4.51281 9.56342 10.7246 8.7961 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 7.35824 9.19156 14.7729 11.8693 5.89564 19.542 10.7092 6.90373 17.9632 3.6642 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 7.35824 9.19156 14.7729 6.77832 5.60528 15.721 10.7092 6.90373 17.9632 6.03236 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 5.60393 7.13783 12.0319 14.4523 9.17946 21.128 4.30308 5.19567 9.29842 13.6793 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 5.76954 7.84952 11.2216 7.84019 8.3087 12.403 13.1733 8.98941 18.5411 8.98584 numMergedOcc 0
21 mol 218 unq 1 iso 0 dist 5.76954 7.84952 11.2216 7.84019 8.3087 12.403 8.38909 6.45381 12.21 3.90135 numMergedOcc 0
22 mol 218 unq 2 iso 0 dist 6.29511 7.84952 5.46009 7.84019 9.32945 12.403 10.3884 6.62738 10.8886 7.3057 numMergedOcc 0
23 mol 218 unq 3 iso 0 dist 6.29511 7.84952 5.46009 7.84019 9.32945 12.403 11.2389 7.13254 12.4557 10.5867 numMergedOcc 0
