0 mol 0 unq 0 iso 0 dist 9.42137 7.31837 5.24778 8.60656 7.40865 10.4616 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.51397 9.99657 6.96891 4.27486 9.47063 10.9812 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 5.95165 7.95811 9.62262 4.46394 5.96346 7.46578 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 5.7435 8.23032 9.99434 4.08268 4.30695 11.1888 numMergedOcc 0
4 mol 11 unq 2 iso 0 dist 5.7435 8.23032 9.99434 4.24301 6.35398 7.90478 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.88413 7.05148 5.30154 10.7087 7.55264 11.4912 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 7.63928 7.05148 5.82503 9.78075 6.85556 12.0452 numMergedOcc 0
7 mol 44 unq 0 iso 0 dist 9.44909 9.45566 4.55437 4.83412 9.6782 7.48846 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 5.97635 4.38047 4.29856 11.5332 7.21717 10.7227 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.36193 5.84625 9.95364 4.37642 5.93884 10.2007 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 4.88613 5.84625 5.49591 4.37642 7.68678 10.2007 numMergedOcc 0
11 mol 62 unq 0 iso 0 dist 8.1599 8.67162 10.0059 7.46975 4.74544 11.4928 numMergedOcc 0
12 mol 62 unq 1 iso 0 dist 8.1599 8.79114 10.4611 7.46975 4.74544 12.9142 numMergedOcc 0
13 mol 65 unq 0 iso 0 dist 8.76461 5.83149 5.51708 6.59475 6.72639 5.94206 numMergedOcc 0
14 mol 65 unq 1 iso 0 dist 8.76461 5.83149 5.51708 11.8419 9.34791 10.909 numMergedOcc 0
15 mol 69 unq 0 iso 0 dist 9.8809 8.91502 14.3583 7.30649 9.97775 15.7524 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 8.4545 5.62309 8.70803 12.49 8.18107 15.4529 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 8.4545 5.62309 8.70803 4.1125 5.9465 6.77241 numMergedOcc 0
18 mol 92 unq 2 iso 0 dist 8.4545 7.11438 9.52327 12.49 8.18107 13.7988 numMergedOcc 0
19 mol 92 unq 3 iso 0 dist 8.4545 7.11438 9.52327 4.1125 5.9465 5.50508 numMergedOcc 0
20 mol 92 unq 4 iso 0 dist 7.01176 5.62309 8.87994 12.49 9.8859 15.4529 numMergedOcc 0
21 mol 92 unq 5 iso 0 dist 7.01176 5.62309 8.87994 4.1125 6.97962 6.77241 numMergedOcc 0
22 mol 92 unq 6 iso 0 dist 7.01176 7.11438 11.641 12.49 9.8859 13.7988 numMergedOcc 0
23 mol 92 unq 7 iso 0 dist 7.01176 7.11438 11.641 4.1125 6.97962 5.50508 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.9747 9.25249 14.3413 7.43001 6.65501 16.102 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 6.40546 8.4733 7.45148 5.73999 8.99399 7.20249 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 6.18763 9.34823 5.13589 6.49348 8.00003 13.0074 numMergedOcc 0
27 mol 119 unq 2 iso 0 dist 8.44385 9.34823 10.8661 4.01593 9.11344 12.0976 numMergedOcc 0
28 mol 119 unq 3 iso 0 dist 5.63005 9.34823 12.0175 4.01593 6.52773 12.0976 numMergedOcc 0
29 mol 119 unq 4 iso 0 dist 5.63005 9.34823 12.0175 13.1254 9.23858 21.1416 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 9.50322 6.72323 12.538 16.7326 9.22232 16.4974 numMergedOcc 0
31 mol 133 unq 1 iso 0 dist 9.50322 6.72323 12.538 10.2948 9.22661 16.5277 numMergedOcc 0
32 mol 133 unq 2 iso 0 dist 9.50322 6.72323 12.538 11.6924 7.56378 15.724 numMergedOcc 0
33 mol 171 unq 0 iso 0 dist 6.07091 6.80086 7.35753 4.98945 9.61462 10.3989 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 9.58911 5.66363 11.85 12.0718 6.22122 12.1629 numMergedOcc 0
35 mol 206 unq 0 iso 0 dist 9.11298 9.7402 4.51687 7.56231 7.29285 10.334 numMergedOcc 0
36 mol 206 unq 1 iso 0 dist 7.42904 9.7402 4.62682 8.16827 6.16414 10.7298 numMergedOcc 0
37 mol 206 unq 2 iso 0 dist 7.42904 9.7402 4.62682 6.06766 7.33701 10.985 numMergedOcc 0
38 mol 206 unq 3 iso 0 dist 7.42904 9.7402 4.62682 5.82916 8.0871 9.9584 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 7.70279 9.41148 6.2188 6.36084 8.50102 9.78181 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 7.70279 7.83422 12.3508 6.36084 8.50102 9.8664 numMergedOcc 0
41 mol 232 unq 2 iso 0 dist 9.29752 9.41148 12.5452 6.36084 9.40808 9.78181 numMergedOcc 0
42 mol 232 unq 3 iso 0 dist 9.29752 7.83422 8.80479 6.36084 9.40808 9.8664 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 7.89744 8.37813 14.1812 5.55311 7.1686 13.0171 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 7.89744 9.25988 4.32284 5.55311 7.1686 10.6733 numMergedOcc 0
45 mol 244 unq 0 iso 0 dist 7.65388 5.79898 5.17744 4.38246 5.50492 6.22122 numMergedOcc 0
46 mol 264 unq 0 iso 0 dist 8.19504 9.3201 5.00209 7.28197 5.93616 10.3854 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 6.55855 9.11072 6.16703 6.70266 9.45514 10.6742 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 6.55855 9.11072 6.16703 5.15747 6.39866 6.88827 numMergedOcc 0
49 mol 274 unq 2 iso 0 dist 6.55855 6.83113 5.64601 6.70266 9.45514 10.083 numMergedOcc 0
50 mol 274 unq 3 iso 0 dist 6.55855 6.83113 5.64601 5.15747 6.39866 9.16942 numMergedOcc 0
51 mol 274 unq 4 iso 0 dist 6.55855 9.44134 6.52035 6.70266 9.45514 7.75216 numMergedOcc 0
52 mol 274 unq 5 iso 0 dist 6.55855 9.44134 6.52035 5.15747 6.39866 12.0228 numMergedOcc 0
53 mol 274 unq 6 iso 0 dist 9.52894 9.11072 6.40141 6.70266 7.1729 10.6742 numMergedOcc 0
54 mol 274 unq 7 iso 0 dist 9.52894 6.83113 10.5941 6.70266 7.1729 10.083 numMergedOcc 0
55 mol 274 unq 8 iso 0 dist 9.52894 9.44134 5.71192 6.70266 7.1729 7.75216 numMergedOcc 0
56 mol 274 unq 9 iso 0 dist 9.71801 9.02071 6.20558 4.36131 8.52587 6.88827 numMergedOcc 0
