0 mol 17 unq 0 iso 0 dist 9.54285 10.5494 9.26685 11.074 6.53817 11.7814 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.54285 10.5494 9.26685 10.1562 9.81769 14.8418 numMergedOcc 0
2 mol 66 unq 0 iso 0 dist 7.1612 6.03391 6.85819 5.89221 8.31793 5.57361 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.52282 11.2351 6.60356 9.65979 9.57498 14.3495 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 6.37194 6.44938 8.63522 7.16658 7.48277 10.8684 numMergedOcc 0
5 mol 102 unq 1 iso 0 dist 6.37194 6.44938 8.63522 11.8819 9.0361 10.2218 numMergedOcc 0
6 mol 102 unq 2 iso 0 dist 6.37194 6.57608 5.43401 7.16658 7.48277 9.76734 numMergedOcc 0
7 mol 102 unq 3 iso 0 dist 6.37194 6.57608 5.43401 11.8819 9.0361 8.17186 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.66196 5.6579 5.31281 6.4595 9.24515 7.18757 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 5.66196 4.77912 8.9922 6.4595 9.24515 7.13921 numMergedOcc 0
10 mol 114 unq 2 iso 0 dist 9.15982 14.0132 9.6874 6.29844 5.97879 8.15877 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 6.6514 10.8805 9.82329 6.7811 8.58946 13.1346 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.98221 13.6469 9.08767 9.81613 9.08672 5.17355 numMergedOcc 0
13 mol 212 unq 0 iso 0 dist 8.02266 10.6347 9.26387 5.13112 9.1384 8.61765 numMergedOcc 0
14 mol 212 unq 1 iso 0 dist 8.02266 10.6347 9.26387 7.30329 7.87125 9.7586 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 5.12798 7.70847 9.81136 4.16289 8.47248 4.82712 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 5.12798 6.52672 7.25293 4.16289 8.47248 7.84001 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 6.6238 5.48962 6.76656 4.53603 6.96379 5.71237 numMergedOcc 0
18 mol 276 unq 0 iso 0 dist 5.71066 9.16059 9.68846 5.95336 8.95876 13.702 numMergedOcc 0
19 mol 276 unq 1 iso 0 dist 5.71066 9.16059 9.68846 6.64138 8.259 6.21925 numMergedOcc 0
20 mol 276 unq 2 iso 0 dist 9.69468 8.22334 9.68846 12.4704 8.95876 13.702 numMergedOcc 0
21 mol 276 unq 3 iso 0 dist 9.69468 8.22334 9.68846 5.77738 8.259 6.21925 numMergedOcc 0
22 mol 285 unq 0 iso 0 dist 9.03396 6.59466 8.08495 13.0101 7.66291 8.39941 numMergedOcc 0
