0 mol 15 unq 0 iso 0 dist 8.38064 7.07399 4.29582 5.49251 9.84471 6.23015 10.2062 6.29685 6.19131 9.51568 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 9.43699 4.70708 6.06874 8.53931 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 12.8446 12.1492 6.06874 8.53931 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 11.7303 12.1492 6.06874 8.53931 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.8178 9.27838 15.434 5.69391 13.6019 7.58875 6.77912 12.0644 4.67641 5.4605 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 8.8178 9.27838 15.434 5.69391 13.6019 7.58875 10.4226 17.86 4.5168 6.1906 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 8.8178 9.27838 15.434 5.69391 13.6019 7.58875 10.4676 15.5932 7.04549 6.7272 numMergedOcc 0
7 mol 72 unq 3 iso 0 dist 8.8178 9.27838 15.434 5.57624 14.3084 9.52749 10.4226 17.86 4.5168 8.70809 numMergedOcc 0
8 mol 72 unq 4 iso 0 dist 8.8178 9.27838 15.434 4.03844 12.4827 6.91169 6.77912 12.0644 4.67641 6.53824 numMergedOcc 0
9 mol 72 unq 5 iso 0 dist 8.8178 9.27838 15.434 4.03844 12.4827 6.91169 10.4226 17.86 4.5168 7.67686 numMergedOcc 0
10 mol 72 unq 6 iso 0 dist 9.96708 9.27838 11.6378 5.69391 9.55118 7.58875 6.77912 7.11552 4.67641 5.4605 numMergedOcc 0
11 mol 72 unq 7 iso 0 dist 9.96708 9.27838 11.6378 5.69391 9.55118 7.58875 10.4226 12.3903 4.5168 6.1906 numMergedOcc 0
12 mol 72 unq 8 iso 0 dist 9.96708 9.27838 11.6378 5.69391 9.55118 7.58875 10.4676 7.17489 7.04549 6.7272 numMergedOcc 0
13 mol 72 unq 9 iso 0 dist 9.96708 9.27838 11.6378 5.57624 13.641 9.52749 10.4226 12.3903 4.5168 8.70809 numMergedOcc 0
14 mol 72 unq 10 iso 0 dist 9.96708 9.27838 11.6378 4.03844 12.111 6.91169 6.77912 7.11552 4.67641 6.53824 numMergedOcc 0
15 mol 72 unq 11 iso 0 dist 9.96708 9.27838 11.6378 4.03844 12.111 6.91169 10.4226 12.3903 4.5168 7.67686 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 10.417 8.70415 5.71029 4.44979 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 10.417 8.70415 5.71029 6.61111 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 10.417 9.74284 5.71029 4.44979 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 10.417 9.74284 5.71029 6.61111 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 10.417 10.0962 5.71029 4.44979 numMergedOcc 0
21 mol 98 unq 5 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 10.417 10.0962 5.71029 6.61111 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 6.18601 6.73586 5.13589 4.39676 8.95212 8.67537 8.43904 10.3457 7.39626 6.13374 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 6.18601 6.73586 5.13589 4.39676 8.95212 8.67537 13.4411 16.7975 15.4934 9.08536 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 6.29155 6.16242 4.54648 13.0405 8.77023 8.83732 11.3058 9.53782 11.5342 8.55349 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 6.80239 5.87634 4.54648 13.7612 8.77023 8.83732 16.0613 9.53782 11.5342 8.55349 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 6.43582 7.92304 5.50031 4.91785 8.97626 9.16358 9.38946 12.8482 9.50478 7.29911 numMergedOcc 0
27 mol 155 unq 1 iso 0 dist 6.43582 7.92304 5.50031 4.91785 8.97626 9.16358 7.36102 8.27726 5.50045 5.36254 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 7.81386 9.39829 7.20191 5.71898 9.01624 5.99437 4.93785 6.7991 7.30555 6.76746 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 7.81386 9.39829 7.20191 5.83796 9.55105 8.4848 4.93785 6.7991 7.30555 8.92098 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 7.63312 5.9176 5.63555 10.6474 6.64173 8.12266 10.1232 6.7991 11.5017 9.09234 numMergedOcc 0
31 mol 181 unq 3 iso 0 dist 7.63312 5.9176 5.63555 5.12833 9.55105 9.43306 10.1232 6.7991 11.5017 8.92098 numMergedOcc 0
32 mol 181 unq 4 iso 0 dist 7.63312 6.41453 7.20191 5.93724 9.01624 5.99437 10.1232 6.7991 7.30555 6.76746 numMergedOcc 0
33 mol 181 unq 5 iso 0 dist 7.63312 6.41453 7.20191 5.12833 9.55105 8.4848 10.1232 6.7991 7.30555 8.92098 numMergedOcc 0
34 mol 182 unq 0 iso 0 dist 9.31746 6.73956 7.68794 4.88992 13.5224 8.62102 6.73313 11.1088 5.8726 5.73635 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 8.41436 7.32499 10.7902 13.1872 17.3846 7.77911 6.16063 11.3297 7.17691 9.11572 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 8.41436 7.32499 10.7902 13.1872 17.3846 7.77911 13.2498 13.0979 6.51967 9.49229 numMergedOcc 0
37 mol 234 unq 2 iso 0 dist 8.41436 7.32499 10.7902 13.1872 17.3846 7.77911 11.4691 14.7138 4.51304 7.20293 numMergedOcc 0
38 mol 234 unq 3 iso 0 dist 8.92474 7.32499 4.4288 13.1872 11.3419 7.77911 6.16063 10.2563 7.17691 9.11572 numMergedOcc 0
39 mol 234 unq 4 iso 0 dist 8.92474 7.32499 4.4288 13.1872 11.3419 7.77911 13.2498 5.27906 6.51967 9.49229 numMergedOcc 0
40 mol 234 unq 5 iso 0 dist 8.92474 7.32499 4.4288 13.1872 11.3419 7.77911 11.4691 6.60398 4.51304 7.20293 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 16.9539 12.8334 8.60027 12.5979 6.68358 4.60275 6.66172 numMergedOcc 0
