0 mol 27 unq 0 iso 0 dist 9.61335 12.5648 7.60283 15.6314 7.47886 8.11206 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.98862 6.13477 4.62858 11.5527 7.14527 7.48825 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 5.78878 4.99112 4.62858 11.5348 7.14527 7.48825 numMergedOcc 0
3 mol 32 unq 2 iso 0 dist 7.98414 6.44894 4.62858 4.31912 7.14527 7.48825 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.55279 4.50806 9.2902 8.62501 7.0313 6.5096 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 7.27601 16.3901 9.83981 14.8982 9.47219 9.86739 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 7.27601 16.3901 9.83981 20.8783 14.0577 8.39249 numMergedOcc 0
7 mol 114 unq 2 iso 0 dist 7.27601 16.3901 9.83981 17.6352 10.6837 8.93623 numMergedOcc 0
8 mol 114 unq 3 iso 0 dist 7.27601 7.41949 6.51395 14.8982 9.47219 9.49413 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 6.75179 10.6528 7.70313 15.7621 11.4407 7.99631 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 6.75179 10.6528 7.70313 11.8501 5.67953 6.40036 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.21272 13.0233 6.87262 9.7081 6.15037 6.98849 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.03852 5.29975 5.26989 8.82363 8.7258 6.2135 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 6.26056 5.29975 7.76442 8.82363 6.67552 6.2135 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 8.97069 6.38237 5.26989 5.76702 8.7258 6.2135 numMergedOcc 0
15 mol 141 unq 3 iso 0 dist 5.7251 6.38237 7.76442 5.76702 6.67552 6.2135 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 7.3879 6.76195 8.41245 12.5397 12.6533 9.79554 numMergedOcc 0
17 mol 173 unq 1 iso 0 dist 9.70728 6.76195 6.64779 12.5397 15.1434 9.79554 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.89987 13.7713 9.06217 19.1155 14.048 8.20656 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.89987 9.77651 7.13252 19.1155 14.048 9.40622 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 6.27438 6.4725 9.47117 14.7336 17.6349 8.75834 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 6.27438 6.4725 9.47117 8.23463 5.25065 9.36396 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 9.45787 5.04225 7.43663 5.99388 7.17691 8.49841 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 9.45787 5.04225 7.43663 12.7447 4.51304 9.6101 numMergedOcc 0
24 mol 234 unq 2 iso 0 dist 9.45787 12.3321 7.94068 12.7447 4.51304 5.32183 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 6.38654 12.2552 7.04753 8.83225 4.38002 6.00721 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 9.77185 5.27441 7.04753 10.4197 4.38002 6.00721 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 7.24253 5.32118 7.12785 9.8043 4.78857 9.1101 numMergedOcc 0
28 mol 243 unq 1 iso 0 dist 7.24253 11.4546 6.66959 9.8043 4.78857 8.93338 numMergedOcc 0
29 mol 280 unq 0 iso 0 dist 9.44925 10.4861 7.82157 9.94185 4.45514 9.69863 numMergedOcc 0
