0 mol 28 unq 0 iso 0 dist 8.60461 12.0732 5.65894 12.9616 5.56363 9.27002 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 9.5209 16.3014 8.34024 20.4999 11.483 8.89682 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 8.9881 13.1825 8.34024 13.3801 11.483 8.89682 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.4815 9.59415 8.82122 13.9865 8.02212 6.17472 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 6.11881 6.18091 9.43446 8.04064 5.30537 8.39015 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.84244 5.52318 7.42204 10.9818 8.13159 7.26246 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.84244 5.52318 7.42204 5.85783 5.54452 8.6728 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 9.58164 6.69022 9.13723 13.2998 7.01157 8.97683 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 9.02541 6.48732 4.9128 11.5653 4.57308 8.41868 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 4.48898 4.93601 5.96285 7.52211 5.16833 4.95086 numMergedOcc 0
10 mol 147 unq 1 iso 0 dist 4.48898 4.93601 5.96285 9.91041 8.80049 8.39524 numMergedOcc 0
11 mol 147 unq 2 iso 0 dist 7.06711 6.64765 5.96285 10.1577 5.16833 4.95086 numMergedOcc 0
12 mol 147 unq 3 iso 0 dist 7.06711 6.64765 5.96285 7.90441 8.80049 8.39524 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 7.06919 4.44449 6.84347 8.89388 4.18777 7.2067 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 8.71031 12.8408 8.3134 16.0339 7.66936 7.82796 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 9.06161 6.05626 7.20955 7.13192 11.477 9.16852 numMergedOcc 0
16 mol 193 unq 1 iso 0 dist 9.06161 6.05626 7.20955 11.7156 9.308 8.6538 numMergedOcc 0
17 mol 193 unq 2 iso 0 dist 9.06161 6.05626 7.20955 10.7628 6.6036 5.19654 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 6.86439 10.6978 6.44662 16.3421 12.1713 9.05082 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.68415 5.42001 5.70124 10.1101 6.34634 5.96276 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 7.74463 6.97261 9.01586 8.9413 6.10503 5.10595 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 8.92239 4.32166 5.12523 12.2074 6.13137 9.96645 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 8.92239 4.32166 5.12523 13.2109 5.06306 9.2447 numMergedOcc 0
