0 mol 11 unq 0 iso 0 dist 4.61088 6.84216 9.68636 11.0597 14.9214 6.83186 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.54419 8.23075 6.7846 13.5399 13.6588 8.25818 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 8.8178 4.86198 5.21565 4.7874 11.4964 6.79423 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 9.96708 4.86198 10.7434 4.7874 14.6356 6.79423 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 9.78528 6.62699 10.7434 10.3016 14.6356 6.79423 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 6.97941 7.61521 3.69293 10.5019 10.985 7.66068 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 6.97941 7.61521 3.69293 13.3187 12.8435 9.5043 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 6.97941 7.61521 3.69293 10.3032 10.6942 8.34132 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 7.9245 7.69072 3.46486 5.34874 9.85512 8.42738 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 7.9245 7.69072 3.46486 3.68023 8.97888 8.79979 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 7.9245 9.85512 5.34874 3.46486 7.69072 8.42738 numMergedOcc 0
11 mol 78 unq 3 iso 0 dist 7.9245 8.97888 3.68023 9.6123 10.1937 8.61143 numMergedOcc 0
12 mol 78 unq 4 iso 0 dist 7.9245 8.97888 3.68023 3.46486 7.69072 8.79979 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.95579 9.01812 8.37717 5.76272 8.04242 4.18248 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.95579 8.04242 5.76272 8.37717 9.01812 4.18248 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 6.19965 8.04242 8.18948 8.37717 9.90583 4.18248 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 7.66905 8.04242 14.113 8.37717 15.0494 4.18248 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 5.08437 7.92856 8.29813 13.6536 14.3025 6.5816 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 6.48948 7.92856 13.2057 13.6536 17.4636 6.5816 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 6.10456 7.92856 12.7473 13.6536 18.9347 6.5816 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 5.86073 9.59585 13.0914 5.37655 7.02367 7.02358 numMergedOcc 0
21 mol 113 unq 1 iso 0 dist 5.86073 7.02367 5.37655 13.0914 9.59585 7.02358 numMergedOcc 0
22 mol 113 unq 2 iso 0 dist 5.86073 9.30832 5.46207 10.2689 10.1945 9.14336 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 6.90986 5.93278 6.34182 4.18693 9.28256 5.86379 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 6.90986 5.93278 6.34182 7.41059 12.9131 8.64686 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 6.90986 6.19918 8.66957 4.18693 9.28256 6.21029 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 6.90986 6.19918 8.66957 7.41059 12.9131 8.16325 numMergedOcc 0
27 mol 115 unq 4 iso 0 dist 5.39945 5.93278 3.98154 4.18693 4.76974 5.86379 numMergedOcc 0
28 mol 115 unq 5 iso 0 dist 5.39945 5.93278 3.98154 7.41059 8.0336 8.64686 numMergedOcc 0
29 mol 115 unq 6 iso 0 dist 5.39945 6.19918 6.61688 4.18693 4.76974 6.21029 numMergedOcc 0
30 mol 115 unq 7 iso 0 dist 5.39945 6.19918 6.61688 7.41059 8.0336 8.16325 numMergedOcc 0
31 mol 115 unq 8 iso 0 dist 5.39945 4.76974 4.18693 3.98154 5.93278 5.86379 numMergedOcc 0
32 mol 115 unq 9 iso 0 dist 5.39945 4.76974 4.18693 6.61688 6.19918 6.21029 numMergedOcc 0
33 mol 115 unq 10 iso 0 dist 5.39945 8.0336 7.41059 3.98154 5.93278 8.64686 numMergedOcc 0
34 mol 115 unq 11 iso 0 dist 5.39945 8.0336 7.41059 6.61688 6.19918 8.16325 numMergedOcc 0
35 mol 120 unq 0 iso 0 dist 8.75408 6.42623 5.6295 5.61274 12.0528 7.84207 numMergedOcc 0
36 mol 120 unq 1 iso 0 dist 8.75408 6.42623 5.6295 3.35803 10.8176 6.98791 numMergedOcc 0
37 mol 120 unq 2 iso 0 dist 8.75408 8.95899 8.97962 5.61274 12.0528 8.56947 numMergedOcc 0
38 mol 120 unq 3 iso 0 dist 6.44653 6.42623 3.824 5.61274 7.53694 7.84207 numMergedOcc 0
39 mol 120 unq 4 iso 0 dist 6.44653 6.42623 3.824 3.35803 8.38358 6.98791 numMergedOcc 0
40 mol 120 unq 5 iso 0 dist 6.44653 8.95899 4.96885 5.61274 7.53694 8.56947 numMergedOcc 0
41 mol 120 unq 6 iso 0 dist 6.44653 7.53694 5.61274 3.824 6.42623 7.84207 numMergedOcc 0
42 mol 120 unq 7 iso 0 dist 6.44653 7.53694 5.61274 4.96885 8.95899 8.56947 numMergedOcc 0
43 mol 120 unq 8 iso 0 dist 6.44653 8.38358 3.35803 9.4846 10.2878 9.31385 numMergedOcc 0
44 mol 120 unq 9 iso 0 dist 6.44653 8.38358 3.35803 3.824 6.42623 6.98791 numMergedOcc 0
45 mol 122 unq 0 iso 0 dist 8.37808 4.42563 7.90729 6.34716 13.7903 8.565 numMergedOcc 0
46 mol 143 unq 0 iso 0 dist 5.99315 8.99891 9.14188 6.75249 8.64905 4.3855 numMergedOcc 0
47 mol 143 unq 1 iso 0 dist 5.99315 8.64905 6.75249 9.14188 8.99891 4.3855 numMergedOcc 0
48 mol 169 unq 0 iso 0 dist 8.49164 9.37946 17.056 5.38859 11.7009 6.96715 numMergedOcc 0
49 mol 206 unq 0 iso 0 dist 8.02137 6.23183 8.20841 3.56132 11.2388 6.80296 numMergedOcc 0
50 mol 206 unq 1 iso 0 dist 7.7366 4.51255 7.83734 4.46135 11.1153 6.80296 numMergedOcc 0
51 mol 206 unq 2 iso 0 dist 9.774 6.23183 7.83734 3.56132 11.1153 6.80296 numMergedOcc 0
52 mol 239 unq 0 iso 0 dist 6.16342 4.43499 4.32238 4.61469 9.68695 6.09626 numMergedOcc 0
53 mol 253 unq 0 iso 0 dist 7.32223 5.77511 11.5574 10.0874 15.5697 8.66299 numMergedOcc 0
54 mol 253 unq 1 iso 0 dist 8.31064 5.77511 10.2118 10.0874 10.8753 8.66299 numMergedOcc 0
55 mol 253 unq 2 iso 0 dist 6.73034 9.27311 10.2118 5.10494 10.8753 8.66299 numMergedOcc 0
56 mol 256 unq 0 iso 0 dist 8.29103 4.80903 5.08421 6.73995 8.97872 5.58222 numMergedOcc 0
57 mol 277 unq 0 iso 0 dist 9.7748 4.9764 11.8607 7.75371 5.69112 7.98956 numMergedOcc 0
58 mol 277 unq 1 iso 0 dist 9.7748 6.36559 10.9137 7.75371 5.69112 5.86185 numMergedOcc 0
59 mol 277 unq 2 iso 0 dist 9.7748 5.69112 7.75371 11.8607 4.9764 7.98956 numMergedOcc 0
60 mol 277 unq 3 iso 0 dist 9.7748 5.69112 7.75371 10.9137 6.36559 5.86185 numMergedOcc 0
61 mol 277 unq 4 iso 0 dist 9.7748 5.69112 7.75371 5.09884 11.5669 6.79748 numMergedOcc 0
62 mol 277 unq 5 iso 0 dist 9.7748 7.2091 11.3546 5.09884 11.5669 6.53598 numMergedOcc 0
63 mol 292 unq 0 iso 0 dist 8.2734 4.49592 5.99797 7.22011 13.0682 8.07775 numMergedOcc 0
