0 mol 11 unq 0 iso 0 dist 4.61088 6.84216 9.68636 8.68293 7.28643 14.8738 11.0597 14.9214 6.83186 19.4932 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.54419 8.23075 6.7846 4.7841 8.03955 6.0925 13.5399 13.6588 8.25818 10.2171 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 7.9245 9.85512 5.34874 8.97888 3.68023 3.46822 3.46486 7.69072 8.42738 8.79979 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 7.9245 8.97888 3.68023 9.85512 5.34874 3.46822 9.6123 10.1937 8.61143 11.407 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 7.9245 8.97888 3.68023 9.85512 5.34874 3.46822 3.46486 7.69072 8.79979 8.42738 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 5.86073 9.59585 13.0914 9.7073 12.5818 9.78508 5.37655 7.02367 7.02358 11.6135 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 5.86073 7.02367 5.37655 9.30832 5.46207 10.8127 13.0914 9.59585 7.02358 13.6813 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 5.86073 9.30832 5.46207 7.02367 5.37655 10.8127 10.2689 10.1945 9.14336 13.815 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.90986 5.93278 6.34182 6.19918 8.66957 3.19822 4.18693 9.28256 5.86379 6.21029 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 6.90986 5.93278 6.34182 6.19918 8.66957 3.19822 7.41059 12.9131 8.64686 8.16325 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 6.90986 6.19918 8.66957 5.93278 6.34182 3.19822 4.18693 9.28256 6.21029 5.86379 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 6.90986 6.19918 8.66957 5.93278 6.34182 3.19822 7.41059 12.9131 8.16325 8.64686 numMergedOcc 0
12 mol 115 unq 4 iso 0 dist 5.39945 5.93278 3.98154 6.19918 6.61688 3.19822 4.18693 4.76974 5.86379 6.21029 numMergedOcc 0
13 mol 115 unq 5 iso 0 dist 5.39945 5.93278 3.98154 6.19918 6.61688 3.19822 7.41059 8.0336 8.64686 8.16325 numMergedOcc 0
14 mol 115 unq 6 iso 0 dist 5.39945 6.19918 6.61688 5.93278 3.98154 3.19822 4.18693 4.76974 6.21029 5.86379 numMergedOcc 0
15 mol 115 unq 7 iso 0 dist 5.39945 6.19918 6.61688 5.93278 3.98154 3.19822 7.41059 8.0336 8.16325 8.64686 numMergedOcc 0
16 mol 115 unq 8 iso 0 dist 5.39945 4.76974 4.18693 8.0336 7.41059 3.66281 3.98154 5.93278 5.86379 8.64686 numMergedOcc 0
17 mol 115 unq 9 iso 0 dist 5.39945 4.76974 4.18693 8.0336 7.41059 3.66281 6.61688 6.19918 6.21029 8.16325 numMergedOcc 0
18 mol 115 unq 10 iso 0 dist 5.39945 8.0336 7.41059 4.76974 4.18693 3.66281 3.98154 5.93278 8.64686 5.86379 numMergedOcc 0
19 mol 115 unq 11 iso 0 dist 5.39945 8.0336 7.41059 4.76974 4.18693 3.66281 6.61688 6.19918 8.16325 6.21029 numMergedOcc 0
20 mol 120 unq 0 iso 0 dist 8.75408 6.42623 5.6295 8.95899 8.97962 8.68088 5.61274 12.0528 7.84207 8.56947 numMergedOcc 0
21 mol 120 unq 1 iso 0 dist 8.75408 6.42623 5.6295 8.95899 8.97962 8.68088 3.35803 10.8176 6.98791 11.3644 numMergedOcc 0
22 mol 120 unq 2 iso 0 dist 8.75408 8.95899 8.97962 6.42623 5.6295 8.68088 5.61274 12.0528 8.56947 7.84207 numMergedOcc 0
23 mol 120 unq 3 iso 0 dist 6.44653 6.42623 3.824 8.95899 4.96885 8.68088 5.61274 7.53694 7.84207 8.56947 numMergedOcc 0
24 mol 120 unq 4 iso 0 dist 6.44653 6.42623 3.824 8.95899 4.96885 8.68088 3.35803 8.38358 6.98791 11.3644 numMergedOcc 0
25 mol 120 unq 5 iso 0 dist 6.44653 8.95899 4.96885 6.42623 3.824 8.68088 5.61274 7.53694 8.56947 7.84207 numMergedOcc 0
26 mol 120 unq 6 iso 0 dist 6.44653 7.53694 5.61274 8.38358 3.35803 5.26524 3.824 6.42623 7.84207 6.98791 numMergedOcc 0
27 mol 120 unq 7 iso 0 dist 6.44653 7.53694 5.61274 8.38358 3.35803 5.26524 4.96885 8.95899 8.56947 11.3644 numMergedOcc 0
28 mol 120 unq 8 iso 0 dist 6.44653 8.38358 3.35803 7.53694 5.61274 5.26524 9.4846 10.2878 9.31385 11.8836 numMergedOcc 0
29 mol 120 unq 9 iso 0 dist 6.44653 8.38358 3.35803 7.53694 5.61274 5.26524 3.824 6.42623 6.98791 7.84207 numMergedOcc 0
30 mol 169 unq 0 iso 0 dist 8.49164 9.37946 17.056 9.13646 13.8168 9.48187 5.38859 11.7009 6.96715 11.3131 numMergedOcc 0
31 mol 169 unq 1 iso 0 dist 8.49164 9.37946 17.056 8.34216 11.1511 12.9271 5.38859 11.7009 6.96715 12.6178 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 7.32223 5.77511 11.5574 9.19385 5.85692 13.6905 10.0874 15.5697 8.66299 14.1344 numMergedOcc 0
33 mol 253 unq 1 iso 0 dist 7.32223 5.77511 11.5574 7.14243 9.00842 5.35859 10.0874 15.5697 8.66299 10.9358 numMergedOcc 0
34 mol 253 unq 2 iso 0 dist 7.32223 5.77511 11.5574 7.81382 12.8384 3.10832 10.0874 15.5697 8.66299 11.5048 numMergedOcc 0
35 mol 253 unq 3 iso 0 dist 8.31064 5.77511 10.2118 9.19385 6.0222 13.6905 10.0874 10.8753 8.66299 14.1344 numMergedOcc 0
36 mol 253 unq 4 iso 0 dist 8.31064 5.77511 10.2118 7.14243 6.93212 5.35859 10.0874 10.8753 8.66299 10.9358 numMergedOcc 0
37 mol 253 unq 5 iso 0 dist 8.31064 5.77511 10.2118 7.81382 12.4811 3.10832 10.0874 10.8753 8.66299 11.5048 numMergedOcc 0
38 mol 253 unq 6 iso 0 dist 6.73034 9.27311 10.2118 8.94786 8.57513 17.0369 5.10494 10.8753 8.66299 13.7163 numMergedOcc 0
39 mol 253 unq 7 iso 0 dist 6.73034 9.27311 10.2118 9.1927 6.0222 13.6905 5.10494 10.8753 8.66299 14.1344 numMergedOcc 0
40 mol 253 unq 8 iso 0 dist 6.73034 9.27311 10.2118 9.60694 6.93212 5.35859 5.10494 10.8753 8.66299 10.9358 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 9.7748 4.9764 11.8607 6.36559 10.9137 3.41319 7.75371 5.69112 7.98956 5.86185 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 9.7748 6.36559 10.9137 4.9764 11.8607 3.41319 7.75371 5.69112 5.86185 7.98956 numMergedOcc 0
43 mol 277 unq 2 iso 0 dist 9.7748 5.69112 7.75371 7.2091 11.3546 3.75238 11.8607 4.9764 7.98956 11.2004 numMergedOcc 0
44 mol 277 unq 3 iso 0 dist 9.7748 5.69112 7.75371 7.2091 11.3546 3.75238 10.9137 6.36559 5.86185 8.41856 numMergedOcc 0
45 mol 277 unq 4 iso 0 dist 9.7748 5.69112 7.75371 7.2091 11.3546 3.75238 5.09884 11.5669 6.79748 6.53598 numMergedOcc 0
46 mol 277 unq 5 iso 0 dist 9.7748 7.2091 11.3546 5.69112 7.75371 3.75238 5.09884 11.5669 6.53598 6.79748 numMergedOcc 0
47 mol 292 unq 0 iso 0 dist 8.2734 4.49592 5.99797 6.69619 4.02751 3.75963 7.22011 13.0682 8.07775 11.8025 numMergedOcc 0
