0 mol 54 unq 0 iso 0 dist 5.44539 8.13653 4.57786 6.33921 5.38191 9.87592 15.1864 14.0601 18.2122 9.20429 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 8.30431 4.628 8.0979 6.32949 9.62468 5.92705 14.1039 12.9303 13.2942 8.44473 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 4.628 8.30431 8.0979 6.32949 5.92705 9.62468 14.1039 13.2942 12.9303 8.44473 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 10.5627 6.89722 7.26679 13.1329 7.92924 5.4653 7.23812 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 5.39171 8.60363 5.05066 10.5627 6.89722 10.1503 13.1329 7.92924 7.09483 7.23812 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 9.27355 5.39171 5.47475 10.5627 7.26679 6.89722 13.1329 5.4653 7.92924 7.23812 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 9.27355 8.60363 4.4628 10.5627 7.26679 10.1503 13.1329 5.4653 7.09483 7.23812 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.60363 5.39171 5.05066 16.3515 9.02288 11.1478 13.1329 7.09483 7.92924 5.36012 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 8.60363 5.39171 5.05066 16.3515 9.02288 11.1478 12.702 4.68175 8.30433 6.3777 numMergedOcc 0
9 mol 73 unq 6 iso 0 dist 8.60363 9.27355 4.4628 16.3515 9.02288 9.75201 13.1329 7.09483 5.4653 5.36012 numMergedOcc 0
10 mol 73 unq 7 iso 0 dist 8.60363 9.27355 4.4628 16.3515 9.02288 9.75201 12.702 4.68175 4.63063 6.3777 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 5.31281 8.9922 5.67339 7.65733 7.25166 12.8848 9.45174 5.53478 8.9898 8.14429 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 17.5409 11.7183 12.7249 9.63185 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 9.89311 7.71155 6.26321 14.1114 7.07183 11.098 13.3095 5.16703 6.81258 9.74671 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 6.24111 8.60412 9.07869 13.3929 9.67457 9.90494 10.7017 5.02037 9.6996 6.13878 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 9.00343 7.05535 9.07869 12.3088 9.67457 9.90494 11.9511 5.02037 9.6996 6.13878 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 9.81136 7.25293 9.46821 17.404 8.49704 14.249 24.0171 17.1631 18.4112 9.92165 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 7.57712 7.20255 5.88344 6.19375 7.31105 10.2676 5.25149 10.1832 9.96224 5.39218 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 6.18866 9.3807 5.2966 12.5843 7.29898 8.91685 16.2589 10.254 8.81984 6.26142 numMergedOcc 0
19 mol 249 unq 1 iso 0 dist 9.3807 6.18866 5.2966 12.5843 8.91685 7.29898 16.2589 8.81984 10.254 6.26142 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 7.70189 6.08181 9.86352 9.78068 8.58088 15.2652 8.10903 5.27718 10.8957 9.04358 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 9.56472 6.5072 10.1588 15.3912 9.72927 18.9075 12.3511 3.89234 13.9567 6.45326 numMergedOcc 0
22 mol 265 unq 1 iso 0 dist 9.56472 4.03921 13.1954 15.3912 9.72927 18.8298 12.3511 3.89234 15.9417 6.45326 numMergedOcc 0
