0 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 6.84216 9.68636 6.76736 11.0597 14.9214 10.0282 6.83186 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.54419 8.70827 5.59311 8.23075 6.7846 12.2271 13.5399 13.6588 19.1942 8.25818 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.54419 6.73939 12.176 8.23075 6.7846 12.2839 13.5399 13.6588 14.8722 8.25818 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 8.8178 9.27838 15.434 4.86198 5.21565 13.6186 4.7874 11.4964 12.1747 6.79423 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 9.96708 9.27838 11.6378 4.86198 10.7434 13.6186 4.7874 14.6356 12.1747 6.79423 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.95579 7.54568 10.2865 8.04242 5.76272 13.5973 8.37717 9.01812 15.3758 4.18248 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.19965 7.54568 8.09967 8.04242 8.18948 13.5973 8.37717 9.90583 15.3758 4.18248 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 7.66905 7.54568 4.65335 8.04242 14.113 13.5973 8.37717 15.0494 15.3758 4.18248 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.92856 8.29813 11.6496 13.6536 14.3025 16.876 6.5816 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 6.48948 6.65501 7.42446 7.92856 13.2057 11.6496 13.6536 17.4636 16.876 6.5816 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 6.10456 6.65501 9.67482 7.92856 12.7473 11.6496 13.6536 18.9347 16.876 6.5816 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 7.02367 5.37655 5.40648 13.0914 9.59585 9.34113 7.02358 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 5.86073 8.8822 10.1816 9.30832 5.46207 15.5674 10.2689 10.1945 16.2322 9.14336 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 5.86073 9.66219 8.42718 7.02367 5.37655 3.52111 13.0914 9.59585 5.35711 7.02358 numMergedOcc 0
14 mol 113 unq 3 iso 0 dist 5.86073 9.66219 8.42718 9.30832 5.46207 13.7232 10.2689 10.1945 15.4368 9.14336 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.39945 6.97707 5.31484 4.76974 4.18693 8.16155 3.98154 5.93278 9.24302 5.86379 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 5.39945 6.97707 5.31484 4.76974 4.18693 8.16155 6.61688 6.19918 10.7582 6.21029 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 5.39945 6.97707 5.31484 8.0336 7.41059 11.4853 3.98154 5.93278 9.24302 8.64686 numMergedOcc 0
18 mol 115 unq 3 iso 0 dist 5.39945 6.97707 5.31484 8.0336 7.41059 11.4853 6.61688 6.19918 10.7582 8.16325 numMergedOcc 0
19 mol 122 unq 0 iso 0 dist 8.37808 8.88537 5.0355 4.42563 7.90729 8.90201 6.34716 13.7903 15.1966 8.565 numMergedOcc 0
20 mol 122 unq 1 iso 0 dist 8.37808 9.23819 7.39059 4.42563 7.90729 11.3935 6.34716 13.7903 14.9314 8.565 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 8.99891 9.14188 14.3396 6.75249 8.64905 13.6073 4.3855 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 5.99315 8.91301 5.20762 8.99891 9.14188 12.476 6.75249 8.64905 12.9862 4.3855 numMergedOcc 0
23 mol 206 unq 0 iso 0 dist 8.02137 7.75885 12.7604 6.23183 8.20841 9.36584 3.56132 11.2388 7.9416 6.80296 numMergedOcc 0
24 mol 206 unq 1 iso 0 dist 7.7366 6.16414 6.45859 4.51255 7.83734 9.36584 4.46135 11.1153 7.9416 6.80296 numMergedOcc 0
25 mol 206 unq 2 iso 0 dist 7.7366 7.33701 4.40897 4.51255 7.83734 8.97305 4.46135 11.1153 11.4622 6.80296 numMergedOcc 0
26 mol 206 unq 3 iso 0 dist 7.7366 8.0871 7.62219 4.51255 7.83734 8.90838 4.46135 11.1153 12.5259 6.80296 numMergedOcc 0
27 mol 206 unq 4 iso 0 dist 9.774 7.75885 6.45859 6.23183 7.83734 9.36584 3.56132 11.1153 7.9416 6.80296 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 6.16342 8.84636 4.30299 4.43499 4.32238 5.76503 4.61469 9.68695 11.637 6.09626 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 8.2734 7.07965 10.8848 4.49592 5.99797 5.06937 7.22011 13.0682 5.91617 8.07775 numMergedOcc 0
