0 mol 0 unq 0 iso 0 dist 7.31837 7.65884 8.34244 6.99594 6.0597 6.3267 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.8978 6.67398 9.57198 12.2544 4.45625 9.29529 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.8978 6.67398 9.57198 8.77049 6.0397 7.2199 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 6.26276 9.03359 9.57198 9.79973 4.45625 9.29529 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 6.26276 9.03359 9.57198 6.95341 6.0397 7.2199 numMergedOcc 0
5 mol 11 unq 0 iso 0 dist 9.52695 6.65725 8.73067 11.343 8.17605 5.43238 numMergedOcc 0
6 mol 11 unq 1 iso 0 dist 9.78754 6.35394 9.09091 10.7838 7.5901 5.43238 numMergedOcc 0
7 mol 27 unq 0 iso 0 dist 5.66743 11.6846 7.60283 11.6186 7.47886 8.11206 numMergedOcc 0
8 mol 27 unq 1 iso 0 dist 7.42669 8.05284 7.60283 9.19658 7.47886 8.11206 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 5.84625 9.80755 9.11258 15.5782 13.4366 6.96494 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 5.84625 9.80755 9.11258 11.074 8.88332 7.01363 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 6.23138 6.84612 9.32552 10.6144 6.90629 8.4517 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.96382 5.37126 8.809 11.3935 6.76585 9.86739 numMergedOcc 0
13 mol 114 unq 1 iso 0 dist 8.96382 5.37126 8.809 14.7921 13.9603 9.49413 numMergedOcc 0
14 mol 114 unq 2 iso 0 dist 8.96382 4.7832 5.79343 11.3935 6.76585 8.39249 numMergedOcc 0
15 mol 114 unq 3 iso 0 dist 8.27794 8.32999 9.83981 14.9408 9.47219 9.86739 numMergedOcc 0
16 mol 114 unq 4 iso 0 dist 8.27794 8.32999 9.83981 16.206 14.0577 8.39249 numMergedOcc 0
17 mol 114 unq 5 iso 0 dist 8.27794 8.32999 9.83981 11.8658 10.6837 8.93623 numMergedOcc 0
18 mol 114 unq 6 iso 0 dist 8.27794 11.5542 6.51395 14.9408 9.47219 9.49413 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 6.42904 5.80615 6.51868 10.7899 6.00607 9.94276 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 6.42904 5.80615 6.51868 11.5344 10.2267 9.05357 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 6.42904 5.80615 6.51868 9.98051 5.59913 5.99299 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 7.31633 6.2062 7.34698 15.1748 12.0514 9.94276 numMergedOcc 0
23 mol 133 unq 4 iso 0 dist 7.31633 6.2062 7.34698 13.8795 14.5639 9.05357 numMergedOcc 0
24 mol 133 unq 5 iso 0 dist 7.31633 6.2062 7.34698 8.9344 6.27692 5.99299 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 5.49198 5.90631 6.93279 9.2078 12.2578 6.4218 numMergedOcc 0
26 mol 157 unq 0 iso 0 dist 9.30128 9.06676 6.455 15.3492 8.17657 7.23499 numMergedOcc 0
27 mol 173 unq 0 iso 0 dist 9.38737 10.5012 8.41245 15.4477 12.6533 9.79554 numMergedOcc 0
28 mol 173 unq 1 iso 0 dist 9.51638 12.905 6.64779 22.5366 15.1434 9.79554 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 5.66363 7.58472 5.95304 8.45395 4.43678 8.20656 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 5.66363 7.58472 5.95304 5.41368 6.03415 9.40622 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 5.97968 4.24915 5.95304 9.15368 4.43678 8.20656 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 5.97968 4.24915 5.95304 7.96182 6.03415 9.40622 numMergedOcc 0
33 mol 181 unq 4 iso 0 dist 8.50382 4.20499 5.95304 11.6365 4.43678 8.20656 numMergedOcc 0
34 mol 181 unq 5 iso 0 dist 8.50382 4.20499 5.95304 13.0537 6.03415 9.40622 numMergedOcc 0
35 mol 181 unq 6 iso 0 dist 8.63119 5.70246 5.95304 9.20477 4.43678 8.20656 numMergedOcc 0
36 mol 181 unq 7 iso 0 dist 8.63119 5.70246 5.95304 7.90237 6.03415 9.40622 numMergedOcc 0
37 mol 232 unq 0 iso 0 dist 9.41148 6.17401 7.10413 13.0193 10.4271 9.86861 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 7.26887 11.0995 7.04753 10.6477 4.38002 6.00721 numMergedOcc 0
39 mol 243 unq 0 iso 0 dist 8.55613 10.4928 7.12785 8.53888 4.78857 9.1101 numMergedOcc 0
40 mol 243 unq 1 iso 0 dist 8.55613 4.20431 6.66959 8.53888 4.78857 8.93338 numMergedOcc 0
41 mol 270 unq 0 iso 0 dist 8.55914 6.41275 7.89388 12.9688 6.0625 9.16073 numMergedOcc 0
42 mol 270 unq 1 iso 0 dist 8.55914 6.41275 7.89388 8.76013 5.91256 8.39167 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 6.83113 5.95459 9.20749 8.62431 11.0599 8.49866 numMergedOcc 0
