0 mol 44 unq 0 iso 0 dist 8.27424 4.52881 8.70604 8.23748 16.1237 8.96839 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.4519 4.52881 5.23045 8.23748 13.5161 8.96839 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 8.61714 7.77338 7.88793 6.83136 4.7864 7.92196 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 9.56049 6.21251 9.89759 7.68784 16.038 7.40801 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 6.68154 5.37527 4.93796 5.49954 9.91824 8.49775 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 7.6395 7.76167 6.71172 9.46631 14.0473 8.78761 numMergedOcc 0
6 mol 148 unq 1 iso 0 dist 7.6395 8.42082 10.2818 9.46631 14.0473 5.69707 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 7.67343 7.83202 6.72413 9.47461 14.0102 8.75537 numMergedOcc 0
8 mol 150 unq 1 iso 0 dist 7.67343 8.47493 10.2642 9.47461 14.0102 5.62239 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.83021 9.11273 12.1018 9.04255 13.2838 5.94087 numMergedOcc 0
10 mol 197 unq 0 iso 0 dist 7.75422 6.66634 4.68064 7.2941 10.447 6.04056 numMergedOcc 0
11 mol 197 unq 1 iso 0 dist 7.75422 6.66634 4.68064 10.0302 10.0743 5.5343 numMergedOcc 0
12 mol 197 unq 2 iso 0 dist 7.75422 6.66634 4.68064 13.0055 12.0155 9.64466 numMergedOcc 0
13 mol 197 unq 3 iso 0 dist 7.75422 6.66634 4.68064 14.7952 11.5122 8.8252 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.8495 9.10711 6.72047 8.5826 10.0147 9.83104 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 8.8495 8.94211 4.02883 8.5826 10.0147 7.33624 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 8.00688 9.10711 8.92874 8.5826 13.2371 9.83104 numMergedOcc 0
17 mol 205 unq 3 iso 0 dist 8.00688 8.94211 8.28418 8.5826 13.2371 7.33624 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 6.79839 4.58449 5.13031 4.87397 11.5992 8.81279 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 6.79839 7.03223 9.39591 4.87397 11.5992 9.57951 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 8.50624 9.09556 13.152 12.6189 17.9362 5.8374 numMergedOcc 0
