0 mol 8 unq 0 iso 0 dist 9.95165 16.9454 7.12263 16.9034 8.77457 7.35217 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.95165 8.95363 5.00267 16.9034 8.77457 11.1833 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.26523 8.75851 8.13471 12.9719 8.00369 7.50126 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 7.93279 4.5858 9.19218 6.07735 8.7143 5.51131 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 9.23617 6.57527 7.69625 12.9223 6.39966 7.71716 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 8.59114 8.42839 7.69625 10.8426 6.39966 7.71716 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 8.63204 11.9235 7.69625 10.5195 6.39966 7.71716 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 4.61828 13.674 9.38831 10.7574 9.69752 10.025 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 4.61828 13.674 9.38831 12.8157 9.36461 6.99746 numMergedOcc 0
9 mol 53 unq 0 iso 0 dist 8.83047 8.60221 4.75776 12.4655 7.75295 5.68983 numMergedOcc 0
10 mol 53 unq 1 iso 0 dist 6.95013 9.61297 4.75776 7.96384 7.75295 5.68983 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.91206 16.3838 8.58543 6.41591 7.62738 15.4757 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.67513 10.3777 8.58543 9.55939 7.62738 15.4757 numMergedOcc 0
13 mol 105 unq 0 iso 0 dist 5.74652 6.99759 8.44437 7.94584 7.71923 7.41096 numMergedOcc 0
14 mol 105 unq 1 iso 0 dist 5.74652 6.99759 8.44437 8.50137 9.87821 4.88348 numMergedOcc 0
15 mol 105 unq 2 iso 0 dist 5.74652 6.99759 8.44437 8.65154 7.09806 4.22355 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 9.08671 12.5938 9.92553 6.21014 6.76575 10.9279 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.84146 16.2159 8.03035 15.2909 8.8562 6.96805 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.84146 16.2159 8.03035 4.96177 7.91683 13.3975 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 8.84146 11.6573 7.6968 15.2909 8.8562 4.86811 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 8.84146 11.6573 7.6968 4.96177 7.91683 8.00229 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 6.93136 6.36527 5.73236 11.6598 6.95372 5.99865 numMergedOcc 0
22 mol 163 unq 0 iso 0 dist 6.96572 12.2679 8.23605 9.55101 7.8639 4.12188 numMergedOcc 0
23 mol 163 unq 1 iso 0 dist 9.29539 4.2381 7.3546 15.8699 9.79069 15.9955 numMergedOcc 0
24 mol 163 unq 2 iso 0 dist 9.29539 4.2381 7.3546 6.48748 9.27496 5.87447 numMergedOcc 0
25 mol 163 unq 3 iso 0 dist 9.02124 11.7732 7.3546 17.0667 9.79069 15.9955 numMergedOcc 0
26 mol 163 unq 4 iso 0 dist 9.02124 11.7732 7.3546 15.7737 9.27496 5.87447 numMergedOcc 0
27 mol 171 unq 0 iso 0 dist 6.81707 15.0267 9.75627 6.4423 8.1536 11.6944 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 4.97005 10.0516 7.55358 5.80701 7.46987 13.1254 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 4.97005 5.57831 7.60991 5.80701 7.46987 8.74186 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 8.63008 10.3444 5.52678 4.44921 5.68348 8.43261 numMergedOcc 0
31 mol 194 unq 1 iso 0 dist 8.63008 14.1482 9.81666 4.44921 5.68348 13.8424 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 8.768 6.78745 6.53728 12.7912 8.20162 6.59663 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 5.68818 13.0591 7.97588 7.98227 9.63007 16.5329 numMergedOcc 0
