0 mol 21 unq 0 iso 0 dist 9.76497 8.7443 3.36756 5.38502 8.6232 5.92388 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.54999 9.72036 3.83842 10.5856 7.21995 8.81562 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.7516 9.48328 13.4515 4.99432 9.53081 5.43913 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 5.99879 8.6777 11.5541 6.29913 11.8033 7.21223 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.93939 6.16745 4.40015 7.90858 8.44279 7.02693 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.93939 6.16745 4.40015 12.4166 10.6837 8.58248 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 9.69413 6.77993 6.65219 7.89197 9.06641 8.63446 numMergedOcc 0
7 mol 96 unq 0 iso 0 dist 9.25941 7.22615 11.9221 6.04753 8.9056 8.79886 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 6.24768 7.65919 4.82514 5.88698 6.53824 9.12145 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 9.31875 7.65919 8.63935 5.88698 6.61973 9.12145 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 8.45451 8.06631 5.3096 12.0208 7.18976 8.50362 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.61918 6.01995 4.63862 13.2228 5.79195 9.35049 numMergedOcc 0
12 mol 157 unq 0 iso 0 dist 6.97303 8.97914 5.07066 6.72897 6.8976 8.36016 numMergedOcc 0
13 mol 157 unq 1 iso 0 dist 9.46764 8.97914 7.444 6.72897 10.6584 8.36016 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 5.89811 8.20259 5.81094 9.89233 10.3236 7.95917 numMergedOcc 0
15 mol 233 unq 0 iso 0 dist 9.46821 6.45095 12.8448 5.20211 13.3855 6.33954 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.19442 5.79883 10.1445 5.28237 12.9581 5.19729 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 6.77021 4.98907 5.05766 5.83092 8.58092 5.94328 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 6.77021 4.98907 5.05766 5.09024 7.40014 7.91978 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 8.65743 5.28746 4.39553 5.36882 9.62494 6.48382 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 8.02607 5.28746 3.94797 5.36882 10.0796 6.48382 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.02002 9.89615 3.80043 18.0386 11.6557 8.67957 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 8.08235 9.89615 4.0143 18.0386 12.0112 8.67957 numMergedOcc 0
23 mol 274 unq 2 iso 0 dist 8.95153 5.77565 4.66969 7.77559 9.34051 8.67957 numMergedOcc 0
24 mol 274 unq 3 iso 0 dist 7.1255 5.77565 4.0143 7.77559 12.0112 8.67957 numMergedOcc 0
25 mol 280 unq 0 iso 0 dist 7.03817 8.6212 6.10543 8.24036 10.6331 7.00616 numMergedOcc 0
26 mol 280 unq 1 iso 0 dist 7.03817 8.6212 6.10543 14.358 14.3004 9.19653 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 5.25409 7.58948 3.33848 4.06072 6.37998 7.94656 numMergedOcc 0
