0 mol 1 unq 0 iso 0 dist 8.93851 9.35554 15.6106 5.99543 14.3713 9.00903 numMergedOcc 0
1 mol 114 unq 0 iso 0 dist 8.85912 6.71345 4.77991 6.49725 12.0042 7.5732 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 8.58727 8.66715 5.34829 14.0905 9.47554 7.11802 numMergedOcc 0
3 mol 133 unq 1 iso 0 dist 8.58727 9.00172 9.67676 13.2145 15.8406 6.29155 numMergedOcc 0
4 mol 133 unq 2 iso 0 dist 8.58727 9.00172 9.67676 15.719 13.9771 6.80239 numMergedOcc 0
5 mol 133 unq 3 iso 0 dist 8.58727 9.00172 9.67676 14.0905 9.47554 8.00618 numMergedOcc 0
6 mol 133 unq 4 iso 0 dist 8.61597 8.66715 13.3831 14.0905 16.5229 7.11802 numMergedOcc 0
7 mol 133 unq 5 iso 0 dist 8.61597 9.00172 9.74121 13.2145 8.97762 6.29155 numMergedOcc 0
8 mol 133 unq 6 iso 0 dist 8.61597 9.00172 9.74121 15.719 15.4305 6.80239 numMergedOcc 0
9 mol 133 unq 7 iso 0 dist 8.61597 9.00172 9.74121 14.0905 16.5229 8.00618 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.11189 5.79157 11.9734 13.0109 17.0494 9.86662 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.11189 5.79157 11.9734 14.1608 20.0191 9.71307 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 7.10634 8.27794 5.48043 4.89429 10.3954 9.09537 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 214 unq 0 iso 0 dist 9.83755 7.94344 14.3395 7.31014 14.4648 8.82096 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.35578 8.14644 13.8822 12.2116 18.2814 9.23153 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.35578 8.14644 13.8822 12.2916 19.4468 8.24498 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 9.23304 7.88846 10.4837 6.17038 6.77368 7.54212 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 7.197 6.32302 5.88282 6.52416 12.1268 8.22528 numMergedOcc 0
19 mol 229 unq 1 iso 0 dist 7.197 6.88694 10.3429 6.52416 12.1268 7.03423 numMergedOcc 0
20 mol 229 unq 2 iso 0 dist 7.197 6.88694 10.3429 11.1919 17.6076 9.06952 numMergedOcc 0
21 mol 229 unq 3 iso 0 dist 7.06416 8.53615 9.17 6.81165 12.0016 8.22528 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 8.74211 5.77925 5.03564 6.59536 10.4172 8.03456 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 8.74211 5.77925 5.03564 8.93012 6.61371 6.84306 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 8.74211 5.77925 5.03564 12.1686 14.1598 9.99038 numMergedOcc 0
25 mol 236 unq 3 iso 0 dist 8.74211 5.77925 5.03564 5.48757 13.7045 9.78037 numMergedOcc 0
26 mol 236 unq 4 iso 0 dist 8.74211 5.77925 5.03564 10.5925 12.4813 8.35971 numMergedOcc 0
27 mol 236 unq 5 iso 0 dist 6.45266 8.95071 12.0614 18.4732 21.3842 9.99038 numMergedOcc 0
28 mol 236 unq 6 iso 0 dist 6.45266 8.95071 12.0614 12.8358 17.3855 6.27581 numMergedOcc 0
29 mol 241 unq 0 iso 0 dist 9.89398 6.90245 10.8667 5.3674 14.8408 7.4631 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 5.36183 7.79723 5.59015 4.24754 6.26142 7.57994 numMergedOcc 0
31 mol 249 unq 1 iso 0 dist 5.36183 8.14526 4.77325 4.24754 6.26142 6.18582 numMergedOcc 0
32 mol 261 unq 0 iso 0 dist 7.43425 9.80409 6.75336 4.63237 10.0402 9.14619 numMergedOcc 0
33 mol 261 unq 1 iso 0 dist 7.43425 9.80409 6.75336 6.39263 7.00833 8.45658 numMergedOcc 0
34 mol 278 unq 0 iso 0 dist 9.23937 9.91518 14.0179 12.8387 20.0782 8.44326 numMergedOcc 0
35 mol 294 unq 0 iso 0 dist 9.00901 7.77765 15.8594 9.62211 16.3979 8.15665 numMergedOcc 0
