0 mol 15 unq 0 iso 0 dist 9.29358 6.91314 9.51568 11.3543 6.67334 8.85174 5.89412 6.19131 6.23015 10.1154 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.73162 7.11305 9.96121 10.2542 6.10146 9.12845 11.9684 10.8434 6.81793 6.04762 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.33535 9.53718 7.03126 17.3504 10.8078 8.66539 18.0116 11.6859 9.02642 6.49081 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 9.33535 9.53718 7.03126 12.0187 5.98837 5.38524 18.0116 11.6859 9.02642 9.37804 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 9.33535 9.53718 7.03126 10.1508 4.55117 8.69057 18.0116 11.6859 9.02642 14.0374 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 8.26899 5.61579 7.03126 11.715 10.8078 8.66539 14.2075 11.6859 9.02642 6.49081 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 8.26899 5.61579 7.03126 6.81627 5.98837 5.38524 14.2075 11.6859 9.02642 9.37804 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 8.26899 5.61579 7.03126 7.32874 4.55117 8.69057 14.2075 11.6859 9.02642 14.0374 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 8.624 3.94376 5.4605 10.8086 7.11552 9.55118 11.1896 4.67641 7.58875 11.6378 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 6.77912 5.69391 5.4605 9.96708 7.11552 9.55118 9.27838 4.67641 7.58875 11.6378 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.39889 14.443 9.08536 23.1442 16.7975 8.95212 21.8836 15.4934 8.67537 5.13589 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 7.39889 14.443 9.08536 14.5183 7.36192 6.99446 21.8836 15.4934 8.67537 10.8661 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 7.39889 14.443 9.08536 16.7981 10.6679 7.64052 21.8836 15.4934 8.67537 12.0175 numMergedOcc 0
13 mol 119 unq 3 iso 0 dist 9.63176 9.68677 9.08536 16.4353 16.7975 8.95212 17.8739 15.4934 8.67537 5.13589 numMergedOcc 0
14 mol 119 unq 4 iso 0 dist 9.63176 9.68677 9.08536 10.3704 7.36192 6.99446 17.8739 15.4934 8.67537 10.8661 numMergedOcc 0
15 mol 119 unq 5 iso 0 dist 9.63176 9.68677 9.08536 8.73993 10.6679 7.64052 17.8739 15.4934 8.67537 12.0175 numMergedOcc 0
16 mol 119 unq 6 iso 0 dist 6.19042 6.20019 6.13374 13.9919 10.3457 8.95212 11.5311 7.39626 8.67537 5.13589 numMergedOcc 0
17 mol 119 unq 7 iso 0 dist 6.19042 6.20019 6.13374 9.87172 6.35763 6.99446 11.5311 7.39626 8.67537 10.8661 numMergedOcc 0
18 mol 119 unq 8 iso 0 dist 6.19042 6.20019 6.13374 12.6489 10.0197 7.64052 11.5311 7.39626 8.67537 12.0175 numMergedOcc 0
19 mol 119 unq 9 iso 0 dist 7.44174 6.20019 9.08536 13.9919 16.7975 8.95212 11.5311 15.4934 8.67537 5.13589 numMergedOcc 0
20 mol 119 unq 10 iso 0 dist 7.44174 6.20019 9.08536 9.87172 7.36192 6.99446 11.5311 15.4934 8.67537 10.8661 numMergedOcc 0
21 mol 119 unq 11 iso 0 dist 7.44174 6.20019 9.08536 12.6489 10.6679 7.64052 11.5311 15.4934 8.67537 12.0175 numMergedOcc 0
22 mol 119 unq 12 iso 0 dist 8.43904 4.39676 6.13374 6.18601 10.3457 8.95212 6.73586 7.39626 8.67537 5.13589 numMergedOcc 0
23 mol 119 unq 13 iso 0 dist 8.43904 4.39676 6.13374 10.1813 6.35763 6.99446 6.73586 7.39626 8.67537 10.8661 numMergedOcc 0
24 mol 119 unq 14 iso 0 dist 8.43904 4.39676 6.13374 9.72413 10.0197 7.64052 6.73586 7.39626 8.67537 12.0175 numMergedOcc 0
25 mol 155 unq 0 iso 0 dist 9.38946 4.91785 7.29911 6.43582 12.8482 8.97626 7.92304 9.50478 9.16358 5.50031 numMergedOcc 0
26 mol 155 unq 1 iso 0 dist 9.38946 4.91785 7.29911 6.43582 12.8482 8.97626 10.3161 12.0574 9.24038 6.89781 numMergedOcc 0
27 mol 155 unq 2 iso 0 dist 7.39644 7.10286 5.36254 10.7829 8.27726 8.97626 11.1616 5.50045 9.16358 5.50031 numMergedOcc 0
28 mol 155 unq 3 iso 0 dist 7.39644 7.10286 5.36254 10.7829 8.27726 8.97626 6.53347 6.40403 9.24038 6.89781 numMergedOcc 0
29 mol 155 unq 4 iso 0 dist 7.36102 4.91785 5.36254 6.43582 8.27726 8.97626 7.92304 5.50045 9.16358 5.50031 numMergedOcc 0
30 mol 155 unq 5 iso 0 dist 7.36102 4.91785 5.36254 6.43582 8.27726 8.97626 10.3161 6.40403 9.24038 6.89781 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 4.93785 6.8757 9.09234 7.81386 6.7991 6.64173 10.4943 11.5017 8.12266 5.63555 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 4.93785 5.71898 6.76746 7.81386 6.7991 9.01624 9.39829 7.30555 5.99437 7.20191 numMergedOcc 0
33 mol 181 unq 2 iso 0 dist 4.93785 5.71898 6.76746 9.81747 8.35755 5.05973 9.39829 7.30555 5.99437 5.48529 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 4.93785 5.83796 8.92098 7.81386 6.7991 9.55105 10.4943 11.5017 9.43306 5.63555 numMergedOcc 0
35 mol 181 unq 4 iso 0 dist 4.93785 5.83796 8.92098 7.81386 6.7991 9.55105 9.39829 7.30555 8.4848 7.20191 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 8.19953 5.13732 5.73591 6.61986 10.7113 8.08349 10.0553 6.957 5.05368 10.7174 numMergedOcc 0
37 mol 224 unq 1 iso 0 dist 8.19953 5.13732 5.73591 13.4025 11.4252 9.78218 10.0553 6.957 5.05368 6.51732 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 6.16063 13.1872 9.11572 10.3625 5.56749 7.81215 7.32499 7.17691 7.77911 10.0059 numMergedOcc 0
39 mol 234 unq 1 iso 0 dist 6.16063 13.1872 9.11572 11.0622 8.0608 5.64285 7.32499 7.17691 7.77911 5.08515 numMergedOcc 0
40 mol 267 unq 0 iso 0 dist 8.76007 9.22276 5.08174 15.5427 7.11419 8.8293 15.3399 10.0939 6.27154 9.14203 numMergedOcc 0
41 mol 267 unq 1 iso 0 dist 8.76007 9.22276 5.08174 14.4611 6.45566 7.34981 15.3399 10.0939 6.27154 8.37094 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 9.19234 8.87855 6.66172 10.7806 5.31116 6.4611 9.45514 12.625 9.65868 9.5468 numMergedOcc 0
43 mol 274 unq 1 iso 0 dist 9.19234 8.87855 6.66172 10.7806 5.31116 6.4611 6.39866 4.60275 8.60027 6.70925 numMergedOcc 0
