0 mol 11 unq 0 iso 0 dist 5.7435 7.53641 6.79478 9.79134 8.01262 4.13124 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.7435 7.53641 6.79478 8.98102 6.58046 13.0674 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.10899 13.0514 6.87871 12.1168 9.99939 15.1968 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 5.73067 5.47531 9.23576 3.47751 8.83233 7.10133 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 4.15592 9.02471 5.46849 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 4.88613 7.63046 9.56737 6.09663 7.17488 13.6875 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.4545 9.84923 7.86724 8.46944 5.42067 3.68007 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 9.73174 11.3462 5.25492 6.88119 9.10911 7.32685 numMergedOcc 0
8 mol 110 unq 1 iso 0 dist 9.65418 12.1775 5.25492 9.95216 9.10911 7.32685 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 6.40546 9.73554 9.93703 3.80816 7.60162 8.99475 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 6.78949 9.13822 8.33083 6.80573 4.42563 12.2092 numMergedOcc 0
11 mol 122 unq 1 iso 0 dist 9.40018 3.45209 8.33083 12.9961 4.42563 12.2092 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 9.28278 4.99299 6.29026 3.54691 7.97548 6.14663 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 9.28278 4.99299 6.29026 5.56761 9.64164 5.32811 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 7.81337 6.68239 8.97145 3.97269 8.80895 5.51548 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 7.81337 7.74794 6.5874 3.97269 8.80895 5.61122 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 12.8334 9.00072 17.3816 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 9.97921 8.10527 9.82249 10.0292 7.93088 3.57652 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 8.58906 7.44933 9.57611 3.47137 9.32259 9.57126 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 7.07224 7.93856 7.31181 3.4049 9.96536 10.7786 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 9.78438 10.2556 8.31638 10.3421 9.4629 3.57449 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 9.78438 4.58247 9.72979 10.3421 9.4629 13.6373 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 6.44212 11.0479 6.37342 3.71488 4.43499 7.72768 numMergedOcc 0
23 mol 257 unq 0 iso 0 dist 7.82899 5.95774 5.36776 11.7751 9.6834 12.8843 numMergedOcc 0
24 mol 265 unq 0 iso 0 dist 7.04833 10.3384 8.1498 5.76716 9.28128 8.3919 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 8.49076 5.66978 9.02749 7.72539 8.12739 12.2201 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 8.49076 5.66978 9.02749 8.78528 6.09853 12.2802 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 8.96343 13.4151 9.02914 7.9169 7.42932 11.5613 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 9.29635 15.5244 6.90434 7.31817 4.9764 11.5613 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 9.29635 15.5244 6.90434 3.91224 6.36559 13.0566 numMergedOcc 0
