0 mol 6 unq 0 iso 0 dist 8.77674 7.41557 6.38732 11.218 12.4075 6.69921 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 8.91798 7.41235 4.03579 7.7664 10.1356 9.40953 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 8.91798 9.00377 10.7986 7.7664 10.1356 9.57896 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 8.67055 9.40953 8.72739 7.7664 10.8372 7.41235 numMergedOcc 0
4 mol 27 unq 3 iso 0 dist 8.67055 9.57896 13.896 7.7664 10.8372 9.00377 numMergedOcc 0
5 mol 27 unq 4 iso 0 dist 8.54422 7.41235 5.02694 7.7664 6.25236 9.40953 numMergedOcc 0
6 mol 27 unq 5 iso 0 dist 8.54422 9.00377 9.03463 7.7664 6.25236 9.57896 numMergedOcc 0
7 mol 27 unq 6 iso 0 dist 6.25236 9.40953 5.02694 7.7664 8.54422 7.41235 numMergedOcc 0
8 mol 27 unq 7 iso 0 dist 6.25236 9.57896 9.03463 7.7664 8.54422 9.00377 numMergedOcc 0
9 mol 71 unq 0 iso 0 dist 8.58853 5.21993 8.22454 6.48383 10.8192 5.73879 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 6.75455 8.06358 13.5499 10.1334 16.6496 9.83729 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 6.28063 8.06358 11.2152 10.1334 16.2779 9.83729 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.9065 6.93938 3.82552 5.96585 13.4965 9.74956 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 8.64091 8.18122 7.34791 12.0154 15.2418 8.36221 numMergedOcc 0
14 mol 123 unq 1 iso 0 dist 8.64091 8.18122 7.34791 13.4796 15.9688 8.6441 numMergedOcc 0
15 mol 123 unq 2 iso 0 dist 8.64091 8.18122 7.34791 5.33782 11.1853 6.70684 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 8.6499 9.8506 13.5761 8.87503 14.4197 6.02506 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 8.75339 9.91991 13.6344 8.95308 14.599 6.07854 numMergedOcc 0
18 mol 180 unq 0 iso 0 dist 7.36717 9.80157 4.71622 9.96643 10.8948 8.16428 numMergedOcc 0
19 mol 180 unq 1 iso 0 dist 6.68933 8.16428 3.81673 9.96643 11.6987 9.80157 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 6.99667 8.9694 11.5597 13.4477 15.8265 8.83512 numMergedOcc 0
21 mol 214 unq 1 iso 0 dist 6.99667 8.9694 11.5597 14.8373 18.9996 8.02723 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 6.37648 7.8428 4.83781 5.50617 5.95025 6.73229 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 5.95025 6.73229 4.83781 5.50617 6.37648 7.8428 numMergedOcc 0
