0 mol 11 unq 0 iso 0 dist 6.84216 10.7734 9.81983 11.0597 6.83186 6.51674 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.23075 5.11617 7.85986 13.5399 8.25818 9.63925 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.15542 8.82805 7.20729 3.63758 8.65524 10.8889 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.15542 8.82805 7.20729 6.88863 8.22812 13.697 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 5.25027 7.23157 6.2576 3.83059 4.15789 4.37918 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 5.25027 12.5946 8.96069 3.83059 4.15789 9.08423 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 5.25027 9.69296 7.56495 3.83059 4.15789 6.29733 numMergedOcc 0
7 mol 79 unq 3 iso 0 dist 4.37025 6.54837 5.79139 8.95695 6.20144 4.31939 numMergedOcc 0
8 mol 79 unq 4 iso 0 dist 4.37025 6.54837 5.79139 3.83059 4.808 6.0298 numMergedOcc 0
9 mol 79 unq 5 iso 0 dist 4.37025 9.69296 7.63923 8.95695 6.20144 5.41884 numMergedOcc 0
10 mol 79 unq 6 iso 0 dist 4.37025 9.69296 7.63923 3.83059 4.808 6.29733 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 7.69926 10.6804 9.13593 6.35602 6.67137 13.6534 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.69926 10.6804 9.13593 13.5979 9.78707 3.93938 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 5.85237 10.6804 8.25144 3.88489 7.07839 9.66391 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 5.85237 10.6804 8.25144 7.33192 9.09711 15.6454 numMergedOcc 0
15 mol 85 unq 4 iso 0 dist 5.85237 10.6804 8.25144 6.35602 7.04244 13.6534 numMergedOcc 0
16 mol 85 unq 5 iso 0 dist 5.85237 10.6804 8.25144 13.5979 9.63449 3.93938 numMergedOcc 0
17 mol 85 unq 6 iso 0 dist 5.85237 10.6804 8.25144 5.78841 7.91193 11.6517 numMergedOcc 0
18 mol 85 unq 7 iso 0 dist 9.11768 6.85929 8.25144 9.22202 7.07839 9.66391 numMergedOcc 0
19 mol 85 unq 8 iso 0 dist 9.11768 6.85929 8.25144 10.5854 7.04244 13.6534 numMergedOcc 0
20 mol 85 unq 9 iso 0 dist 9.11768 6.85929 8.25144 10.0606 9.63449 3.93938 numMergedOcc 0
21 mol 85 unq 10 iso 0 dist 9.11768 6.85929 8.25144 12.2858 7.91193 11.6517 numMergedOcc 0
22 mol 85 unq 11 iso 0 dist 9.11768 6.85929 8.25144 15.5226 9.09711 15.6454 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 7.92856 14.1056 9.90672 13.6536 6.5816 9.43399 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 7.92856 14.3413 7.55367 13.6536 6.5816 3.61204 numMergedOcc 0
25 mol 113 unq 0 iso 0 dist 9.59585 8.42718 5.35711 5.37655 7.02358 3.52111 numMergedOcc 0
26 mol 113 unq 1 iso 0 dist 7.02367 7.27193 9.62952 13.0914 7.02358 14.7833 numMergedOcc 0
27 mol 123 unq 0 iso 0 dist 8.111 14.0935 7.30244 12.2105 5.56127 7.88813 numMergedOcc 0
28 mol 123 unq 1 iso 0 dist 8.111 14.0935 7.30244 12.5368 8.03692 4.10526 numMergedOcc 0
29 mol 123 unq 2 iso 0 dist 8.111 14.0935 7.30244 6.21159 5.36214 12.6384 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 8.64905 10.4028 7.2932 9.14188 4.3855 4.5497 numMergedOcc 0
31 mol 168 unq 0 iso 0 dist 7.48734 11.7533 6.12453 3.42733 5.86767 8.8681 numMergedOcc 0
32 mol 168 unq 1 iso 0 dist 7.48734 11.7533 6.12453 8.91606 5.28353 3.73181 numMergedOcc 0
33 mol 168 unq 2 iso 0 dist 5.6125 7.32989 6.12453 6.57536 5.86767 8.8681 numMergedOcc 0
34 mol 168 unq 3 iso 0 dist 5.6125 7.32989 6.12453 4.07587 5.28353 3.73181 numMergedOcc 0
35 mol 169 unq 0 iso 0 dist 9.37946 8.6888 5.41121 5.38859 6.96715 3.83687 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 5.90765 8.98536 9.31569 12.1883 7.25595 9.73374 numMergedOcc 0
37 mol 186 unq 1 iso 0 dist 5.90765 8.98536 9.31569 6.89146 9.94825 7.47658 numMergedOcc 0
38 mol 186 unq 2 iso 0 dist 5.90765 7.30024 8.72743 12.1883 7.25595 14.2269 numMergedOcc 0
39 mol 186 unq 3 iso 0 dist 5.90765 7.30024 8.72743 6.89146 9.94825 9.76301 numMergedOcc 0
40 mol 198 unq 0 iso 0 dist 9.76973 15.6566 8.78623 10.4312 7.38825 5.92533 numMergedOcc 0
41 mol 206 unq 0 iso 0 dist 4.51255 4.62682 5.17607 4.46135 6.80296 5.6074 numMergedOcc 0
42 mol 206 unq 1 iso 0 dist 6.23183 7.67029 5.17607 3.56132 6.80296 5.6074 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 8.60731 14.3553 9.89191 6.34934 9.64861 16.2332 numMergedOcc 0
44 mol 256 unq 0 iso 0 dist 4.80903 5.28793 4.36333 6.73995 5.58222 5.59732 numMergedOcc 0
45 mol 256 unq 1 iso 0 dist 4.80903 4.99672 6.96483 6.73995 5.58222 3.96807 numMergedOcc 0
46 mol 281 unq 0 iso 0 dist 5.50053 11.6729 6.18742 12.8596 7.90368 3.78169 numMergedOcc 0
47 mol 281 unq 1 iso 0 dist 5.50053 11.6729 6.18742 5.19196 6.69267 11.7772 numMergedOcc 0
48 mol 281 unq 2 iso 0 dist 7.33334 11.6729 6.8089 11.0049 5.33372 10.3992 numMergedOcc 0
49 mol 281 unq 3 iso 0 dist 7.33334 11.6729 6.8089 5.19196 6.56886 11.7772 numMergedOcc 0
50 mol 287 unq 0 iso 0 dist 5.30118 6.56801 8.58427 3.65199 4.68668 9.88575 numMergedOcc 0
51 mol 287 unq 1 iso 0 dist 8.98698 10.1857 8.58427 5.70614 4.68668 9.88575 numMergedOcc 0
52 mol 288 unq 0 iso 0 dist 5.30118 6.56801 8.58427 3.65199 4.68668 9.88575 numMergedOcc 0
53 mol 288 unq 1 iso 0 dist 8.98698 10.1857 8.58427 5.70614 4.68668 9.88575 numMergedOcc 0
54 mol 289 unq 0 iso 0 dist 5.30118 6.56801 8.58427 3.65199 4.68668 9.88575 numMergedOcc 0
55 mol 289 unq 1 iso 0 dist 8.98698 10.1857 8.58427 5.70614 4.68668 9.88575 numMergedOcc 0
