0 mol 43 unq 0 iso 0 dist 8.54999 9.72036 3.83842 12.4431 9.76585 13.5968 10.5856 7.21995 8.81562 11.3999 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.99879 8.6777 11.5541 9.96747 9.51017 16.199 6.29913 11.8033 7.21223 12.8286 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 5.99879 8.6777 11.5541 4.23367 8.47212 11.0583 6.29913 11.8033 7.21223 6.08444 numMergedOcc 0
3 mol 116 unq 0 iso 0 dist 9.31875 7.65919 8.63935 16.0497 9.62357 16.1417 5.88698 6.61973 9.12145 15.1223 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.61918 6.01995 4.63862 7.49664 6.9268 4.82356 13.2228 5.79195 9.35049 8.75242 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 8.61918 6.01995 4.63862 14.1334 8.19166 8.83476 13.2228 5.79195 9.35049 6.45333 numMergedOcc 0
6 mol 157 unq 0 iso 0 dist 9.46764 8.97914 7.444 13.6517 8.78412 15.428 6.72897 10.6584 8.36016 17.5682 numMergedOcc 0
7 mol 210 unq 0 iso 0 dist 5.89811 8.20259 5.81094 4.04112 5.70065 9.49242 9.89233 10.3236 7.95917 13.3519 numMergedOcc 0
8 mol 258 unq 0 iso 0 dist 6.77021 4.98907 5.05766 9.56613 8.53084 11.7986 5.83092 8.58092 5.94328 11.0749 numMergedOcc 0
9 mol 258 unq 1 iso 0 dist 6.77021 4.98907 5.05766 9.56613 8.53084 11.7986 5.09024 7.40014 7.91978 5.81432 numMergedOcc 0
10 mol 258 unq 2 iso 0 dist 6.77021 4.98907 5.05766 3.89286 5.9223 6.61322 5.83092 8.58092 5.94328 9.26732 numMergedOcc 0
11 mol 258 unq 3 iso 0 dist 6.77021 4.98907 5.05766 3.89286 5.9223 6.61322 5.09024 7.40014 7.91978 6.72414 numMergedOcc 0
12 mol 266 unq 0 iso 0 dist 8.02607 5.28746 3.94797 8.13064 9.80006 7.93375 5.36882 10.0796 6.48382 5.54798 numMergedOcc 0
13 mol 274 unq 0 iso 0 dist 8.08235 9.89615 4.0143 4.78661 7.98183 11.2307 18.0386 12.0112 8.67957 19.1905 numMergedOcc 0
14 mol 274 unq 1 iso 0 dist 7.1255 5.77565 4.0143 12.4201 7.98183 11.2307 7.77559 12.0112 8.67957 19.1905 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 7.03817 8.6212 6.10543 4.79056 6.16854 9.22665 8.24036 10.6331 7.00616 9.13465 numMergedOcc 0
16 mol 280 unq 1 iso 0 dist 7.03817 8.6212 6.10543 4.79056 6.16854 9.22665 14.358 14.3004 9.19653 14.2183 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 5.25409 7.58948 3.33848 7.07706 9.4943 12.1408 4.06072 6.37998 7.94656 5.71611 numMergedOcc 0
