0 mol 9 unq 0 iso 0 dist 9.9919 5.95912 6.20227 15.4961 10.6533 9.78006 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 7.11102 7.39536 7.3576 14.0262 11.2895 6.77886 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 8.48054 11.4735 7.3576 17.7498 11.2895 6.77886 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 8.47416 12.4295 9.4871 14.2261 9.23701 7.9233 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.27456 4.39271 6.00564 11.847 6.62562 8.00777 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.27456 4.39271 6.00564 9.89682 5.46695 7.1589 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.98606 7.07175 9.93806 7.5819 5.44942 8.65802 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.04669 6.00304 8.3642 6.40546 8.87718 6.98934 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 7.46162 6.00304 4.31261 6.40546 4.72999 6.98934 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 7.46162 6.64646 7.7186 6.40546 4.72999 7.99623 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 6.29634 9.79485 8.81779 8.44385 4.55137 7.99857 numMergedOcc 0
11 mol 119 unq 4 iso 0 dist 6.29634 9.79485 8.81779 5.63005 6.42493 8.56342 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 9.64841 11.4158 6.49708 14.4106 5.29844 9.02318 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 9.64841 11.4158 6.49708 15.3258 6.55924 9.74542 numMergedOcc 0
14 mol 148 unq 2 iso 0 dist 9.64841 11.4158 6.49708 18.2028 9.61708 7.97543 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 9.5865 11.4182 6.45018 15.3303 6.62435 9.6606 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 9.5865 11.4182 6.45018 18.2061 9.72618 7.85526 numMergedOcc 0
17 mol 150 unq 2 iso 0 dist 9.5865 11.4182 6.45018 14.558 5.50847 8.94552 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 8.99034 5.5367 6.00293 9.97921 5.05715 6.20182 numMergedOcc 0
19 mol 163 unq 0 iso 0 dist 6.54995 6.56076 7.27002 11.6021 10.1139 8.38738 numMergedOcc 0
20 mol 163 unq 1 iso 0 dist 5.27374 9.55758 7.27002 13.0625 10.1139 8.38738 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 9.2747 9.06963 7.75632 10.2921 8.62666 7.71426 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 9.2747 9.06963 7.75632 11.2403 11.8746 5.10618 numMergedOcc 0
23 mol 171 unq 2 iso 0 dist 9.2747 9.06963 7.75632 16.6364 9.0509 9.86681 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 8.49856 6.61278 6.59925 12.4261 13.4456 8.0154 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.71602 10.2652 7.9637 12.8417 6.67453 7.28841 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 8.25305 8.4512 6.61806 16.8184 12.2848 8.44861 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 8.25305 8.4512 6.61806 12.7788 9.41884 5.60393 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 9.05875 11.6166 7.48626 17.1928 10.2428 6.38157 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 6.02521 5.68266 6.45821 11.7899 7.79008 8.0751 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 7.03647 9.67929 9.18343 16.4096 11.7207 8.87609 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 8.99259 7.06191 9.94302 9.96308 13.798 8.38865 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 8.99259 7.06191 9.94302 9.95674 10.9445 5.4694 numMergedOcc 0
33 mol 230 unq 0 iso 0 dist 8.74988 4.97784 7.81987 11.3536 10.3804 6.41286 numMergedOcc 0
34 mol 251 unq 0 iso 0 dist 6.32455 9.21735 6.12282 7.4878 7.703 8.01198 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 8.4485 4.88527 8.65191 10.6749 9.34197 6.70815 numMergedOcc 0
36 mol 258 unq 1 iso 0 dist 8.4485 4.88527 8.65191 11.4077 8.40328 7.99477 numMergedOcc 0
37 mol 276 unq 0 iso 0 dist 6.11207 8.39039 9.2211 14.7905 13.6248 6.70215 numMergedOcc 0
38 mol 276 unq 1 iso 0 dist 6.11207 8.39039 9.2211 14.2096 13.7566 7.25423 numMergedOcc 0
39 mol 276 unq 2 iso 0 dist 6.11207 8.39039 9.2211 11.5859 13.2807 7.88706 numMergedOcc 0
40 mol 276 unq 3 iso 0 dist 6.11207 8.39039 9.2211 10.1967 6.04845 7.23916 numMergedOcc 0
