0 mol 26 unq 0 iso 0 dist 8.4398 7.41403 5.04687 7.65918 13.7155 12.9685 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.4398 9.28723 6.61083 7.65918 13.7155 10.3322 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 7.24022 9.44899 16.561 7.37634 3.38988 16.6458 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 7.24022 9.79074 5.04687 7.37634 3.38988 3.9368 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.88001 6.43426 11.9238 4.9983 11.023 5.29175 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 9.30739 8.29997 7.06696 5.38363 11.2122 6.25587 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.39344 8.54468 4.32836 5.98764 4.05022 5.86721 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 8.90628 8.77374 9.72243 7.88265 5.03153 11.6654 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 7.61296 9.23558 10.7975 6.36631 5.70681 12.827 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 7.61296 9.23558 10.7975 6.24308 5.08157 10.6354 numMergedOcc 0
10 mol 113 unq 2 iso 0 dist 7.61296 9.23558 10.7975 6.66182 8.98416 3.38043 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 9.17931 8.51999 4.17696 7.07933 5.88521 3.86496 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 9.56851 8.76729 14.7646 8.47283 13.952 3.88406 numMergedOcc 0
13 mol 253 unq 0 iso 0 dist 5.2691 9.78986 9.55368 7.79803 4.6733 13.7964 numMergedOcc 0
14 mol 264 unq 0 iso 0 dist 7.2692 5.87353 4.87177 6.26593 5.80008 6.77462 numMergedOcc 0
15 mol 264 unq 1 iso 0 dist 7.2692 7.87214 7.3746 6.26593 5.80008 3.91293 numMergedOcc 0
16 mol 264 unq 2 iso 0 dist 6.5477 5.87353 7.23638 6.26593 8.24367 6.77462 numMergedOcc 0
17 mol 264 unq 3 iso 0 dist 6.5477 7.87214 6.60751 6.26593 8.24367 3.91293 numMergedOcc 0
