0 mol 28 unq 0 iso 0 dist 8.60461 8.06843 4.15828 12.0732 5.65894 8.02162 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 8.07958 8.51839 6.5311 6.25934 12.5296 9.2934 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 7.46478 9.27814 14.0177 15.4847 16.0011 9.22903 numMergedOcc 0
3 mol 110 unq 0 iso 0 dist 9.58164 7.59747 4.28852 6.69022 9.13723 9.45247 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 9.02541 6.33923 11.4065 4.53184 11.1924 7.36025 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 9.02541 9.9801 10.4026 4.53184 11.1924 9.60251 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 7.9061 8.94352 12.9354 4.93601 9.7267 8.62135 numMergedOcc 0
7 mol 147 unq 1 iso 0 dist 4.48898 8.94352 6.60281 4.93601 5.96285 8.62135 numMergedOcc 0
8 mol 184 unq 0 iso 0 dist 4.54491 5.86468 3.88336 13.0222 11.7115 8.98606 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.55974 7.00382 6.54455 4.18399 11.2756 8.51947 numMergedOcc 0
10 mol 255 unq 0 iso 0 dist 7.60846 8.66655 6.71212 4.80227 10.2481 8.32084 numMergedOcc 0
11 mol 258 unq 0 iso 0 dist 8.20751 4.98907 6.93346 9.47962 12.027 9.33223 numMergedOcc 0
12 mol 260 unq 0 iso 0 dist 9.25515 9.11501 9.38032 7.2156 5.9721 8.43724 numMergedOcc 0
