0 mol 34 unq 0 iso 0 dist 4.97286 8.36524 11.7949 7.16404 7.78892 14.4841 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 8.23686 8.29727 10.3017 9.59206 7.25721 15.7015 numMergedOcc 0
2 mol 110 unq 0 iso 0 dist 7.85994 7.77678 8.63598 8.73402 7.32156 11.4939 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 8.58727 8.66715 5.34829 14.0905 9.47554 7.11802 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 8.58727 9.00172 9.67676 14.0905 9.47554 8.00618 numMergedOcc 0
5 mol 133 unq 2 iso 0 dist 8.61597 8.66715 13.3831 13.2145 8.97762 13.268 numMergedOcc 0
6 mol 133 unq 3 iso 0 dist 8.61597 9.00172 9.74121 13.2145 8.97762 6.29155 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 8.11189 8.31276 14.5913 8.09314 6.00727 10.9916 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 8.11189 5.79157 11.9734 8.09314 6.00727 13.6675 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 8.11189 5.50687 5.57177 8.09314 6.00727 9.47394 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 8.11189 7.30919 10.8108 8.09314 6.00727 12.3971 numMergedOcc 0
11 mol 172 unq 0 iso 0 dist 6.16303 7.63635 9.23387 11.3253 9.18538 16.5935 numMergedOcc 0
12 mol 172 unq 1 iso 0 dist 6.16303 9.94649 8.10512 11.3253 9.18538 9.22173 numMergedOcc 0
13 mol 209 unq 0 iso 0 dist 8.9906 5.92907 8.42394 5.35615 9.62543 7.56373 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 7.35578 8.14644 13.8822 7.2801 9.9693 14.106 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 9.23304 7.88846 10.4837 6.17038 6.77368 7.54212 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 7.06416 8.53615 9.17 5.23042 9.40032 13.7165 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 8.74211 5.77925 5.03564 8.93012 6.61371 6.84306 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 9.52945 7.49412 11.3652 6.05616 6.43046 11.5313 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 5.36183 7.79723 5.59015 4.24754 6.26142 7.57994 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 5.36183 8.14526 4.77325 4.24754 6.26142 6.18582 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 7.43425 9.80409 6.75336 6.39263 7.00833 8.45658 numMergedOcc 0
22 mol 271 unq 0 iso 0 dist 6.56531 7.9494 5.27791 6.00331 9.42899 11.8164 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 8.90911 9.38793 10.6013 11.9195 4.81916 14.8559 numMergedOcc 0
