0 mol 43 unq 0 iso 0 dist 8.83248 10.3387 8.84944 6.38662 6.95983 9.76585 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 7.3754 5.91456 9.04549 11.9621 9.38462 7.94667 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.57749 7.29064 8.43162 10.0266 9.67456 8.62244 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 8.70106 14.0531 6.56481 13.6456 5.86578 8.23356 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 9.15982 11.2753 6.54778 18.5509 11.5575 8.79677 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 8.74019 6.40614 6.61973 14.6789 15.1223 9.62357 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 9.30597 8.54767 8.64054 16.0002 12.0212 8.83811 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 7.48833 14.3839 9.52061 17.5691 12.2874 5.16531 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 7.14447 9.07803 9.39389 10.7969 7.53392 8.72039 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 4.46578 10.008 8.76088 16.399 15.4372 6.9268 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 4.46578 10.008 8.76088 17.2261 14.3705 8.19166 numMergedOcc 0
11 mol 136 unq 0 iso 0 dist 9.67457 6.29723 8.41727 6.27434 4.65485 7.65792 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 8.34722 10.6035 9.96635 15.621 11.2678 8.80952 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 9.66591 13.3178 9.96586 13.973 10.4244 9.74749 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 6.6514 8.3419 7.20545 10.5102 5.44954 6.28957 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 6.6514 8.3419 7.20545 13.6417 9.15105 7.34285 numMergedOcc 0
16 mol 187 unq 0 iso 0 dist 5.26804 8.33762 8.0501 12.8306 8.91643 7.87608 numMergedOcc 0
17 mol 189 unq 0 iso 0 dist 9.71306 8.18227 9.47321 13.7517 10.2802 9.01418 numMergedOcc 0
18 mol 189 unq 1 iso 0 dist 9.20296 8.18227 6.38294 13.7517 4.79488 9.01418 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 9.67207 4.64973 6.2016 12.4049 13.2525 9.78743 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 9.66533 13.587 4.36421 14.2207 6.46773 7.08083 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 7.6174 5.92917 8.74399 6.54042 9.96567 9.03261 numMergedOcc 0
22 mol 245 unq 0 iso 0 dist 7.1207 7.10254 7.95061 10.5858 5.43086 9.59668 numMergedOcc 0
23 mol 250 unq 0 iso 0 dist 9.73318 4.11548 8.51703 8.21225 7.15398 9.88044 numMergedOcc 0
24 mol 250 unq 1 iso 0 dist 5.75551 4.11548 5.07895 8.21225 6.13352 9.88044 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 8.73607 9.91326 6.32984 13.1683 6.37482 7.38536 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 9.11602 6.64598 5.15923 11.8628 5.27724 6.19545 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 9.11602 6.64598 5.15923 11.8628 5.27724 6.19545 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 9.11602 6.64598 5.15923 11.8628 5.27724 6.19545 numMergedOcc 0
