0 mol 7 unq 0 iso 0 dist 9.02869 5.83658 5.37308 13.9246 9.49373 8.23909 10.826 12.421 9.60499 13.823 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.02869 5.83658 5.37308 6.08819 10.9761 6.72215 10.826 12.421 9.60499 5.38502 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 9.42014 5.81552 6.29923 5.16543 12.2718 6.85381 10.626 12.9747 9.60462 12.5148 numMergedOcc 0
3 mol 112 unq 1 iso 0 dist 9.42014 5.81552 6.29923 5.16543 12.2718 6.85381 5.27363 12.5126 7.45389 6.38057 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 8.80824 6.09472 6.80053 5.14617 6.42762 6.86946 5.74878 9.70616 4.99221 5.889 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 9.67606 6.09472 4.45342 5.14617 9.77149 6.86946 5.74878 9.28214 4.99221 5.889 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 9.41083 6.20658 4.45342 9.9398 9.77149 6.86946 7.09627 9.28214 4.99221 5.889 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 5.83719 8.62711 11.2447 15.8417 17.3256 8.40046 10.345 11.2815 9.30299 9.75166 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.8353 9.89098 16.1558 7.52391 11.8747 9.48243 8.96845 17.7988 9.91388 11.6637 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 7.03107 6.6776 4.51101 11.3267 9.56953 8.69888 13.7028 13.3338 9.0018 11.5099 numMergedOcc 0
10 mol 175 unq 1 iso 0 dist 7.03107 6.6776 4.51101 11.3267 9.56953 8.69888 10.4662 8.84385 5.6234 5.50014 numMergedOcc 0
11 mol 175 unq 2 iso 0 dist 7.03107 6.6776 4.51101 11.3267 9.56953 8.69888 7.42609 9.81041 6.57069 7.39186 numMergedOcc 0
12 mol 175 unq 3 iso 0 dist 7.03107 6.6776 4.51101 4.44885 5.25888 5.08206 13.7028 13.3338 9.0018 12.1783 numMergedOcc 0
13 mol 175 unq 4 iso 0 dist 7.03107 6.6776 4.51101 4.44885 5.25888 5.08206 10.4662 8.84385 5.6234 7.28617 numMergedOcc 0
14 mol 175 unq 5 iso 0 dist 7.03107 6.6776 4.51101 4.44885 5.25888 5.08206 7.42609 9.81041 6.57069 5.77256 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 8.27913 9.36307 8.27268 4.39505 8.63031 7.86625 9.72559 10.8493 9.31746 5.40949 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 10.6403 16.0716 8.49704 16.5528 23.0178 9.65138 12.4611 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 7.82201 9.40003 17.1162 10.6403 16.0716 8.49704 9.11345 15.2631 7.14453 11.832 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 7.82201 9.40003 17.1162 10.6403 16.0716 8.49704 16.922 23.8076 8.85478 10.644 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 9.89039 8.9077 13.6952 15.8912 18.0183 7.31105 10.6943 15.6403 9.23153 14.6296 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 9.89039 8.9077 13.6952 15.8912 18.0183 7.31105 15.396 21.5268 8.24498 9.52692 numMergedOcc 0
21 mol 220 unq 2 iso 0 dist 8.57174 8.9077 13.8822 15.8912 19.6341 7.31105 10.6943 18.2814 9.23153 14.6296 numMergedOcc 0
22 mol 220 unq 3 iso 0 dist 8.57174 8.9077 13.8822 15.8912 19.6341 7.31105 15.396 19.4468 8.24498 9.52692 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 11.47 18.7753 8.49299 7.37154 12.8799 6.7547 6.9602 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 4.71683 6.73134 7.41812 10.1358 13.6596 8.77254 5.52669 9.44496 8.04248 5.74377 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 4.71683 6.73134 7.41812 10.1358 13.6596 8.77254 5.27568 9.13551 8.35971 10.054 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 8.88741 7.15785 6.43209 6.13416 8.69675 9.62828 6.5875 7.30472 8.02547 10.5691 numMergedOcc 0
