0 mol 11 unq 0 iso 0 dist 7.91082 10.8713 5.47299 10.638 5.19841 4.79838 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.68012 13.2059 9.99145 12.894 4.948 8.4441 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.40644 8.12843 7.33788 12.2147 5.52962 6.11249 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.40644 12.7252 7.36877 17.7936 9.32024 7.02387 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 9.40644 12.7252 7.36877 12.2147 5.52962 4.74786 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 5.35252 8.12843 8.52681 12.2147 10.1477 6.11249 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 5.06188 7.88988 7.94814 12.1466 9.98618 6.15814 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 5.06188 8.00934 9.55632 12.1466 9.98618 7.70284 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 7.03224 4.19648 9.87102 10.0229 9.38055 9.51134 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 6.30896 4.52783 4.36944 10.8513 4.82789 7.46819 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 7.1859 4.4529 7.33426 7.43143 4.09052 8.35515 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 5.40826 5.08025 6.38786 8.57285 6.60792 8.08798 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 5.86839 4.51847 4.93303 13.1944 7.98763 9.81165 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 8.86185 6.16212 9.58325 4.57548 4.81796 8.08777 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 8.26312 10.9985 5.4687 12.9631 4.74711 6.16848 numMergedOcc 0
15 mol 239 unq 2 iso 0 dist 7.58554 10.9079 5.4687 11.2238 4.74711 6.16848 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 6.66936 14.4215 9.07744 12.4404 6.20663 9.62597 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 8.15119 5.11865 9.07744 11.7564 6.20663 9.62597 numMergedOcc 0
18 mol 281 unq 0 iso 0 dist 6.58925 14.7035 9.39268 12.1214 5.96808 9.94612 numMergedOcc 0
19 mol 282 unq 0 iso 0 dist 9.98886 12.5442 9.60384 12.5941 5.36361 9.08606 numMergedOcc 0
20 mol 282 unq 1 iso 0 dist 6.81887 7.00145 9.60384 9.30114 5.36361 9.08606 numMergedOcc 0
