0 mol 34 unq 0 iso 0 dist 4.97286 8.36524 11.7949 6.00825 4.50643 14.2228 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.75898 6.35333 14.1805 12.8877 7.67252 18.9026 numMergedOcc 0
2 mol 96 unq 0 iso 0 dist 9.39344 6.21351 11.9208 8.19733 7.64192 13.7949 numMergedOcc 0
3 mol 105 unq 0 iso 0 dist 6.37212 9.13159 7.60327 11.0792 9.96269 17.2333 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 7.85994 7.77678 8.63598 10.8513 9.00302 15.4014 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 6.31955 6.71293 5.1738 5.87352 8.03603 6.35314 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.58727 8.66715 5.34829 7.22293 5.92836 10.1767 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 8.58727 9.00172 9.67676 7.22293 5.92836 11.6202 numMergedOcc 0
8 mol 172 unq 0 iso 0 dist 6.16303 7.63635 9.23387 6.78233 7.77643 12.3552 numMergedOcc 0
9 mol 172 unq 1 iso 0 dist 6.16303 7.63635 9.23387 8.65462 4.90175 12.1277 numMergedOcc 0
10 mol 172 unq 2 iso 0 dist 6.16303 9.94649 8.10512 6.78233 7.77643 7.34586 numMergedOcc 0
11 mol 172 unq 3 iso 0 dist 6.16303 9.94649 8.10512 8.65462 4.90175 5.5139 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 5.82681 9.52413 5.5366 4.95637 7.6409 10.0278 numMergedOcc 0
13 mol 209 unq 0 iso 0 dist 8.9906 5.92907 8.42394 13.8836 8.8886 10.795 numMergedOcc 0
14 mol 209 unq 1 iso 0 dist 8.9906 5.92907 8.42394 15.5731 8.78565 14.4808 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 9.89398 6.90245 10.8667 4.51587 8.00841 10.4415 numMergedOcc 0
16 mol 271 unq 0 iso 0 dist 6.56531 7.9494 5.27791 5.22029 5.76281 10.0165 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 4.66834 9.38793 8.31543 5.57184 6.40125 14.0486 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 4.66834 9.38793 8.31543 10.4217 7.25282 8.82899 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.51034 7.95849 11.2254 4.98898 7.58907 12.4366 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 7.51034 7.95849 11.2254 4.98898 7.58907 12.4366 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.51034 7.95849 11.2254 4.98898 7.58907 12.4366 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 9.00901 7.77765 15.8594 16.7838 8.46311 24.0855 numMergedOcc 0
