0 mol 11 unq 0 iso 0 dist 9.23212 9.08736 7.28643 7.86896 4.61088 8.68293 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.23212 9.74528 9.68636 7.86896 4.61088 6.84216 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.84393 9.97466 6.3033 9.01721 7.82074 12.1151 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.18518 5.96899 9.32418 14.1404 8.4674 17.2049 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.18518 5.96899 9.32418 6.57145 4.54938 10.1787 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 8.18518 5.96899 9.32418 6.01189 7.82074 11.3543 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 4.68793 7.7727 9.50094 5.72331 6.19529 13.3842 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 9.05547 8.185 10.1462 6.34748 6.85766 12.3053 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 4.24428 7.02693 3.85805 6.58444 5.93252 9.10566 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.30194 7.02693 5.17781 10.5627 6.19304 11.3218 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.01889 8.58248 4.73407 15.0744 9.96396 11.3218 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 7.01889 8.58248 4.73407 8.11922 9.75218 12.8353 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 7.01889 8.58248 4.73407 7.9573 9.38498 6.23522 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 4.83274 5.91098 3.69293 10.2219 6.97941 7.61521 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 7.89214 4.86523 3.69293 7.74851 6.97941 7.61521 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 7.76275 5.6516 6.27514 13.1838 9.36773 10.7263 numMergedOcc 0
16 mol 88 unq 1 iso 0 dist 7.76275 5.6516 6.27514 12.6939 8.31336 12.2051 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 8.26838 9.02905 4.73066 4.33346 9.03572 7.51733 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 8.26838 9.02905 4.73066 7.47119 8.83255 9.01607 numMergedOcc 0
19 mol 95 unq 2 iso 0 dist 8.26838 9.02905 4.73066 15.4217 8.03644 11.5898 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 9.43616 9.64908 4.69658 10.746 7.71338 6.87434 numMergedOcc 0
21 mol 127 unq 0 iso 0 dist 6.65963 9.64136 7.73234 10.345 8.14887 12.4738 numMergedOcc 0
22 mol 127 unq 1 iso 0 dist 8.62711 9.64136 3.97136 10.345 9.30299 12.4738 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 5.30872 8.10681 7.20921 6.3915 5.99315 12.2091 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 7.5984 5.33772 6.75249 5.11989 5.99315 8.64905 numMergedOcc 0
25 mol 175 unq 0 iso 0 dist 6.73365 8.06007 12.5746 5.73338 5.6234 12.7901 numMergedOcc 0
26 mol 175 unq 1 iso 0 dist 6.73365 8.06007 12.5746 12.753 9.92231 20.1806 numMergedOcc 0
27 mol 175 unq 2 iso 0 dist 9.45659 8.06007 13.5565 5.73338 6.57069 12.7901 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 7.7292 6.46946 6.49075 13.4646 7.10633 12.9966 numMergedOcc 0
29 mol 204 unq 1 iso 0 dist 7.7292 6.46946 6.49075 9.54287 8.51516 13.0232 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 7.10166 9.58346 3.56132 5.15743 8.02137 11.2388 numMergedOcc 0
31 mol 206 unq 1 iso 0 dist 7.10166 9.58346 3.56132 13.609 9.774 11.1153 numMergedOcc 0
32 mol 206 unq 2 iso 0 dist 9.66896 9.60549 3.56132 15.7773 8.02137 11.2388 numMergedOcc 0
33 mol 206 unq 3 iso 0 dist 9.66896 9.60549 3.56132 12.0196 9.774 11.1153 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 9.4835 9.46274 4.15355 14.5108 8.82096 9.06459 numMergedOcc 0
35 mol 230 unq 0 iso 0 dist 8.33847 8.01593 10.043 7.37154 6.7547 12.4088 numMergedOcc 0
36 mol 231 unq 0 iso 0 dist 9.98232 8.37596 8.58535 10.9863 7.37839 13.3733 numMergedOcc 0
37 mol 231 unq 1 iso 0 dist 9.98232 8.37596 8.58535 10.2117 8.40182 11.7319 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 7.98022 8.62485 9.79922 6.3873 5.72887 9.76893 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 7.98022 9.37688 8.38175 6.3873 5.72887 10.6273 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 9.26156 9.2554 9.65344 7.10801 7.00034 12.6062 numMergedOcc 0
41 mol 253 unq 0 iso 0 dist 8.53729 6.93942 9.46115 16.1265 9.02271 17.1121 numMergedOcc 0
42 mol 253 unq 1 iso 0 dist 8.53729 9.05161 10.3603 16.1265 9.02271 18.3798 numMergedOcc 0
43 mol 253 unq 2 iso 0 dist 7.80525 9.80396 12.4657 4.84708 7.32223 13.723 numMergedOcc 0
44 mol 253 unq 3 iso 0 dist 7.80525 6.3093 5.85692 4.84708 7.32223 9.19385 numMergedOcc 0
45 mol 253 unq 4 iso 0 dist 7.71295 9.80396 8.57513 4.84708 8.31064 13.723 numMergedOcc 0
46 mol 253 unq 5 iso 0 dist 7.71295 9.80396 8.57513 6.27022 6.73034 8.94786 numMergedOcc 0
47 mol 253 unq 6 iso 0 dist 7.71295 6.3093 6.0222 4.84708 8.31064 9.19385 numMergedOcc 0
48 mol 253 unq 7 iso 0 dist 7.71295 6.3093 6.0222 6.27022 6.73034 9.1927 numMergedOcc 0
49 mol 253 unq 8 iso 0 dist 8.07341 9.31626 9.46115 16.581 9.02271 17.1121 numMergedOcc 0
50 mol 253 unq 9 iso 0 dist 8.07341 9.77366 10.3603 16.581 9.02271 18.3798 numMergedOcc 0
51 mol 265 unq 0 iso 0 dist 7.54805 6.18698 5.94366 12.5953 8.4218 10.2644 numMergedOcc 0
52 mol 272 unq 0 iso 0 dist 8.82094 9.87477 4.95884 4.78295 8.48753 11.7109 numMergedOcc 0
53 mol 277 unq 0 iso 0 dist 8.35794 4.1545 11.8607 5.77904 9.7748 4.9764 numMergedOcc 0
54 mol 277 unq 1 iso 0 dist 8.35794 4.25172 10.9137 5.77904 9.7748 6.36559 numMergedOcc 0
