0 mol 6 unq 0 iso 0 dist 9.12748 3.9416 9.5447 6.46784 6.94663 9.07564 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.12171 4.09817 9.85784 7.63824 4.11146 9.58192 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 7.42828 8.88262 8.77355 15.8707 12.8723 7.71625 numMergedOcc 0
3 mol 91 unq 1 iso 0 dist 5.98441 11.1951 8.77355 16.9889 12.8723 7.71625 numMergedOcc 0
4 mol 91 unq 2 iso 0 dist 5.45873 10.5022 8.77355 16.7772 12.8723 7.71625 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.29506 8.09258 9.19977 10.0901 5.64998 6.67678 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 8.29506 8.09258 9.19977 10.6404 4.76749 7.24956 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 8.29506 8.09258 9.19977 16.0765 15.6931 8.28591 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 8.29506 8.09258 9.19977 17.3071 14.8662 9.40687 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 7.24843 13.069 9.19977 11.5774 5.64998 6.67678 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 7.24843 13.069 9.19977 11.7117 4.76749 7.24956 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 7.24843 13.069 9.19977 20.7008 15.6931 8.28591 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 7.24843 13.069 9.19977 21.0462 14.8662 9.40687 numMergedOcc 0
13 mol 93 unq 8 iso 0 dist 6.58492 8.09258 7.28831 10.0901 4.34681 6.67678 numMergedOcc 0
14 mol 93 unq 9 iso 0 dist 6.58492 8.09258 7.28831 10.6404 5.73248 7.24956 numMergedOcc 0
15 mol 93 unq 10 iso 0 dist 6.58492 8.09258 7.28831 16.0765 13.5809 8.28591 numMergedOcc 0
16 mol 93 unq 11 iso 0 dist 6.58492 8.09258 7.28831 17.3071 14.149 9.40687 numMergedOcc 0
17 mol 93 unq 12 iso 0 dist 7.63783 13.069 7.28831 11.5774 4.34681 6.67678 numMergedOcc 0
18 mol 93 unq 13 iso 0 dist 7.63783 13.069 7.28831 11.7117 5.73248 7.24956 numMergedOcc 0
19 mol 93 unq 14 iso 0 dist 7.63783 13.069 7.28831 20.7008 13.5809 8.28591 numMergedOcc 0
20 mol 93 unq 15 iso 0 dist 7.63783 13.069 7.28831 21.0462 14.149 9.40687 numMergedOcc 0
21 mol 107 unq 0 iso 0 dist 9.81403 4.92969 5.33764 9.81776 8.49625 6.49371 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 9.17878 13.5478 9.30645 13.9084 6.29259 8.67025 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 7.57714 9.9475 7.58337 14.7271 10.3222 5.95801 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 7.57714 9.9475 7.58337 18.2236 17.5034 9.92715 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 9.13228 10.5797 7.58375 8.73302 4.12242 5.23187 numMergedOcc 0
26 mol 193 unq 0 iso 0 dist 6.77983 4.0847 8.15661 7.73964 5.96435 6.94187 numMergedOcc 0
27 mol 194 unq 0 iso 0 dist 7.71806 8.22995 4.19371 4.55528 3.7326 4.45769 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 7.71806 8.22995 4.19371 4.42095 7.29209 5.89939 numMergedOcc 0
29 mol 194 unq 2 iso 0 dist 7.71806 12.3429 9.71015 4.55528 3.7326 8.99961 numMergedOcc 0
30 mol 194 unq 3 iso 0 dist 7.71806 12.3429 9.71015 4.42095 7.29209 8.18853 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 8.35637 12.3685 8.09509 18.7644 11.8619 7.62991 numMergedOcc 0
32 mol 252 unq 1 iso 0 dist 8.35637 12.3685 8.09509 5.2116 3.99887 9.81261 numMergedOcc 0
33 mol 260 unq 0 iso 0 dist 8.75324 3.92288 6.75725 11.4771 3.60349 8.51564 numMergedOcc 0
34 mol 260 unq 1 iso 0 dist 8.75324 14.1341 9.31888 11.7457 7.28821 7.49606 numMergedOcc 0
35 mol 266 unq 0 iso 0 dist 5.62193 6.11441 9.63518 11.727 13.8751 9.83672 numMergedOcc 0
36 mol 278 unq 0 iso 0 dist 9.62872 15.8802 7.67837 19.4649 10.7788 9.67239 numMergedOcc 0
37 mol 282 unq 0 iso 0 dist 9.88071 9.6232 9.38222 16.8755 10.2578 9.06947 numMergedOcc 0
