0 mol 8 unq 0 iso 0 dist 8.80278 6.27477 13.4423 6.1146 13.6519 7.8922 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.73998 6.27477 5.95251 6.1146 8.4444 7.8922 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 9.1487 9.38611 5.38234 5.39637 5.12044 8.37515 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 5.25231 14.5893 9.00544 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.52282 5.09688 6.89762 6.16378 6.14415 7.12017 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 5.66196 5.87387 5.24877 11.3694 7.73842 6.34525 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 10.9764 10.5849 8.03372 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.95717 6.38977 11.3296 6.53994 11.4181 8.86329 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 8.95717 9.69757 15.665 6.53994 11.4181 8.71039 numMergedOcc 0
9 mol 131 unq 2 iso 0 dist 8.95717 9.69757 15.665 13.4383 18.2357 6.92648 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.2872 6.99089 7.46245 5.50042 11.1254 5.53031 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 9.76501 8.72463 7.03272 4.88215 12.0474 8.41611 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 9.76501 8.72463 7.03272 8.25783 12.7756 7.63338 numMergedOcc 0
13 mol 143 unq 2 iso 0 dist 9.76501 8.72463 7.03272 14.7431 15.4164 9.03707 numMergedOcc 0
14 mol 143 unq 3 iso 0 dist 9.76501 8.72463 7.03272 12.956 14.1788 7.25673 numMergedOcc 0
15 mol 148 unq 0 iso 0 dist 8.60157 7.38138 11.2162 3.97123 11.1382 7.97543 numMergedOcc 0
16 mol 148 unq 1 iso 0 dist 6.72591 7.38138 10.5987 3.97123 10.3812 7.97543 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 8.59359 7.34423 11.2566 3.98367 11.1473 7.85526 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 6.80192 7.34423 10.4881 3.98367 10.4545 7.85526 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.98221 8.08787 9.13357 7.39094 5.67811 7.28841 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 6.93447 16.41 7.24199 numMergedOcc 0
21 mol 198 unq 0 iso 0 dist 7.83611 5.80867 11.3233 11.1573 16.026 8.10985 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.09371 6.18486 8.98613 5.98086 11.8006 5.87815 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 7.00773 9.2521 13.931 6.12311 10.0051 5.64181 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.00773 8.51359 15.2654 6.12311 10.0051 7.61393 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 9.31855 9.78185 13.943 13.7796 19.3339 7.50201 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 8.27377 7.0247 12.8819 14.5125 18.3936 7.77998 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 9.33299 9.47382 12.7868 15.3317 17.224 8.55558 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 9.49732 9.47382 6.18571 15.3317 14.0925 8.55558 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 9.64366 9.27588 8.81953 7.54414 13.9853 7.71657 numMergedOcc 0
