0 mol 7 unq 0 iso 0 dist 8.88982 10.5313 6.22805 13.9585 7.10621 6.96396 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 11.7903 6.85331 10.5449 6.86014 9.20254 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 9.02927 12.9916 4.68793 14.1634 6.19529 5.72331 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.04163 7.90858 4.24428 6.34076 5.93252 6.58444 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.88953 7.82091 4.24428 3.92763 5.93252 6.58444 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.32453 8.29882 4.83274 8.18176 6.97941 10.2219 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 9.32453 9.77859 7.89214 8.18176 6.97941 7.74851 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.13273 9.66122 8.26838 6.56354 9.03572 4.33346 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 8.13273 9.66122 8.26838 6.68919 8.83255 7.47119 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 8.13273 9.66122 8.26838 14.1434 8.03644 15.4217 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.53153 7.75063 9.89098 5.78974 9.91388 8.96845 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 8.29673 10.0451 7.15203 5.78974 7.24514 5.38237 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 8.29673 10.0451 7.15203 9.35671 8.22656 9.71227 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.50454 18.3782 9.63295 11.755 7.63312 12.5935 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 8.80581 7.11843 9.63295 10.209 7.63312 12.5935 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 6.20646 9.46912 7.7292 5.21426 7.10633 13.4646 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 6.20646 9.46912 7.7292 8.35604 8.51516 9.54287 numMergedOcc 0
17 mol 204 unq 2 iso 0 dist 6.73266 14.4545 7.7292 5.57112 7.10633 13.4646 numMergedOcc 0
18 mol 204 unq 3 iso 0 dist 6.73266 14.4545 7.7292 12.1292 8.51516 9.54287 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 7.94694 6.51093 8.73396 5.1071 7.7366 6.35321 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 7.51923 8.96746 7.10166 5.39127 8.02137 5.15743 numMergedOcc 0
21 mol 206 unq 2 iso 0 dist 7.51923 8.96746 7.10166 5.1071 9.774 13.609 numMergedOcc 0
22 mol 206 unq 3 iso 0 dist 7.51923 13.4727 9.66896 5.39127 8.02137 15.7773 numMergedOcc 0
23 mol 206 unq 4 iso 0 dist 7.51923 13.4727 9.66896 5.1071 9.774 12.0196 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 7.86668 12.3207 8.07523 5.06314 6.18308 13.3929 numMergedOcc 0
25 mol 210 unq 1 iso 0 dist 7.86668 12.2935 7.56882 5.06314 6.18308 12.3088 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 9.61379 7.33406 4.79841 9.57016 8.95269 11.4653 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 5.99137 11.7831 6.36941 13.7629 9.81562 8.3919 numMergedOcc 0
28 mol 236 unq 1 iso 0 dist 5.99137 11.7831 6.36941 13.3575 7.68742 4.88785 numMergedOcc 0
29 mol 236 unq 2 iso 0 dist 5.99137 11.7831 6.36941 5.03598 6.27581 10.2557 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 6.92721 4.95913 9.27989 9.00069 6.16342 12.1502 numMergedOcc 0
31 mol 241 unq 0 iso 0 dist 8.18588 6.5604 6.40592 10.2076 7.4631 7.93809 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 9.86979 15.6684 8.53729 7.79167 9.02271 16.1265 numMergedOcc 0
33 mol 253 unq 1 iso 0 dist 9.86979 14.3804 8.07341 7.79167 9.02271 16.581 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 5.31858 4.18036 7.9357 6.60345 6.42289 8.73372 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 5.31858 4.69752 8.81059 6.60345 6.42289 9.78068 numMergedOcc 0
36 mol 261 unq 0 iso 0 dist 6.68878 8.9397 9.43169 4.31412 6.05727 6.5875 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 7.63115 7.34826 5.17586 5.82892 9.70696 5.9229 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 9.0021 5.81468 9.26066 12.6862 6.53701 12.5899 numMergedOcc 0
39 mol 282 unq 0 iso 0 dist 7.34596 5.5267 6.84554 4.36798 8.76532 9.67023 numMergedOcc 0
40 mol 282 unq 1 iso 0 dist 7.12228 5.5267 9.51581 4.36798 6.33524 9.67023 numMergedOcc 0
