0 mol 15 unq 0 iso 0 dist 5.89412 6.91314 6.23015 11.3543 10.1154 8.85174 9.29358 6.19131 9.51568 6.67334 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 7.07399 5.49251 6.23015 10.6338 10.1154 8.85174 10.2062 6.19131 9.51568 6.67334 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.87757 13.6145 6.53269 11.9561 6.08585 9.48085 9.43699 6.06874 8.53931 12.1492 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.87757 13.6145 6.53269 5.04899 5.77929 9.49421 9.43699 6.06874 8.53931 4.70708 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.50222 5.18617 6.53269 7.57578 6.08585 9.48085 12.8446 6.06874 8.53931 12.1492 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 8.50222 5.18617 6.53269 12.7009 5.77929 9.49421 12.8446 6.06874 8.53931 4.70708 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 7.55264 5.68041 6.53269 7.17969 6.08585 9.48085 11.7303 6.06874 8.53931 12.1492 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 7.55264 5.68041 6.53269 12.8117 5.77929 9.49421 11.7303 6.06874 8.53931 4.70708 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.27838 5.69391 7.58875 9.96708 11.6378 9.55118 6.77912 4.67641 5.4605 7.11552 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 9.27838 5.69391 7.58875 9.96708 11.6378 9.55118 10.4226 4.5168 6.1906 12.3903 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 9.27838 5.69391 7.58875 9.96708 11.6378 9.55118 10.4676 7.04549 6.7272 7.17489 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 6.65501 10.4782 8.46823 17.4071 16.4267 9.64383 10.417 5.71029 4.44979 12.0058 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 6.65501 10.4782 8.46823 6.10456 9.67482 7.54889 10.417 5.71029 4.44979 10.0962 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 6.65501 10.4782 8.46823 10.1136 12.0974 7.78931 10.417 5.71029 4.44979 11.2452 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 6.65501 3.9764 4.62494 5.08437 4.4057 5.10496 10.417 5.71029 6.61111 8.70415 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 6.65501 3.9764 4.62494 6.48948 7.42446 5.92242 10.417 5.71029 6.61111 9.74284 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 6.65501 3.9764 4.62494 6.10456 9.67482 5.2571 10.417 5.71029 6.61111 10.0962 numMergedOcc 0
17 mol 98 unq 6 iso 0 dist 6.65501 3.9764 4.62494 10.1136 12.0974 8.7497 10.417 5.71029 6.61111 11.2452 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 6.73586 4.39676 8.67537 6.18601 5.13589 8.95212 8.43904 7.39626 6.13374 10.3457 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 6.73586 4.39676 8.67537 6.18601 5.13589 8.95212 13.4411 15.4934 9.08536 16.7975 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 6.73586 4.39676 8.67537 10.1813 10.8661 6.99446 8.43904 7.39626 6.13374 6.35763 numMergedOcc 0
21 mol 119 unq 3 iso 0 dist 6.73586 4.39676 8.67537 10.1813 10.8661 6.99446 13.4411 15.4934 9.08536 7.36192 numMergedOcc 0
22 mol 119 unq 4 iso 0 dist 6.73586 4.39676 8.67537 9.72413 12.0175 7.64052 8.43904 7.39626 6.13374 10.0197 numMergedOcc 0
23 mol 119 unq 5 iso 0 dist 6.73586 4.39676 8.67537 9.72413 12.0175 7.64052 13.4411 15.4934 9.08536 10.6679 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 6.16242 13.0405 8.83732 6.29155 4.54648 8.77023 11.3058 11.5342 8.55349 9.53782 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 5.87634 13.7612 8.83732 6.80239 4.54648 8.77023 16.0613 11.5342 8.55349 9.53782 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 7.92304 4.91785 9.16358 6.43582 5.50031 8.97626 9.38946 9.50478 7.29911 12.8482 numMergedOcc 0
27 mol 155 unq 1 iso 0 dist 7.92304 4.91785 9.16358 6.43582 5.50031 8.97626 7.36102 5.50045 5.36254 8.27726 numMergedOcc 0
28 mol 155 unq 2 iso 0 dist 8.69157 12.6999 9.24038 12.3052 6.89781 8.97626 18.1388 12.0574 7.29911 12.8482 numMergedOcc 0
29 mol 155 unq 3 iso 0 dist 8.69157 12.6999 9.24038 12.3052 6.89781 8.97626 13.1369 6.40403 5.36254 8.27726 numMergedOcc 0
30 mol 155 unq 4 iso 0 dist 6.53347 7.10286 9.24038 10.7829 6.89781 8.97626 11.5473 12.0574 7.29911 12.8482 numMergedOcc 0
31 mol 155 unq 5 iso 0 dist 6.53347 7.10286 9.24038 10.7829 6.89781 8.97626 7.39644 6.40403 5.36254 8.27726 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 5.9176 10.6474 8.12266 7.63312 5.63555 6.64173 10.1232 11.5017 9.09234 6.7991 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 5.9176 5.12833 9.43306 7.63312 5.63555 9.55105 10.1232 11.5017 8.92098 6.7991 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 9.39829 5.71898 5.99437 7.81386 7.20191 9.01624 4.93785 7.30555 6.76746 6.7991 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 9.39829 5.71898 5.99437 9.81747 5.48529 5.05973 4.93785 7.30555 6.76746 8.35755 numMergedOcc 0
36 mol 181 unq 4 iso 0 dist 9.39829 5.83796 8.4848 7.81386 7.20191 9.55105 4.93785 7.30555 8.92098 6.7991 numMergedOcc 0
37 mol 181 unq 5 iso 0 dist 6.41453 5.93724 5.99437 7.63312 7.20191 9.01624 10.1232 7.30555 6.76746 6.7991 numMergedOcc 0
38 mol 181 unq 6 iso 0 dist 6.41453 5.93724 5.99437 9.11469 5.48529 5.05973 10.1232 7.30555 6.76746 8.35755 numMergedOcc 0
39 mol 181 unq 7 iso 0 dist 6.41453 5.12833 8.4848 7.63312 7.20191 9.55105 10.1232 7.30555 8.92098 6.7991 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 7.32499 13.1872 7.77911 10.3625 10.0059 7.81215 6.16063 7.17691 9.11572 5.56749 numMergedOcc 0
41 mol 234 unq 1 iso 0 dist 7.32499 13.1872 7.77911 10.3625 10.0059 7.81215 13.2498 6.51967 9.49229 15.015 numMergedOcc 0
42 mol 234 unq 2 iso 0 dist 7.32499 13.1872 7.77911 10.3625 10.0059 7.81215 11.4691 4.51304 7.20293 12.1076 numMergedOcc 0
43 mol 234 unq 3 iso 0 dist 7.32499 13.1872 7.77911 11.0622 5.08515 5.64285 6.16063 7.17691 9.11572 8.0608 numMergedOcc 0
44 mol 234 unq 4 iso 0 dist 7.32499 13.1872 7.77911 11.0622 5.08515 5.64285 13.2498 6.51967 9.49229 5.34613 numMergedOcc 0
45 mol 234 unq 5 iso 0 dist 7.32499 13.1872 7.77911 11.0622 5.08515 5.64285 11.4691 4.51304 7.20293 6.29366 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 7.46394 14.7507 9.65868 12.3938 9.5468 6.4611 14.4703 12.625 6.66172 5.31116 numMergedOcc 0
47 mol 274 unq 1 iso 0 dist 9.45514 8.87855 9.65868 10.7806 9.5468 6.4611 9.19234 12.625 6.66172 5.31116 numMergedOcc 0
48 mol 274 unq 2 iso 0 dist 8.91672 12.5615 9.65868 16.3286 9.5468 6.4611 17.725 12.625 6.66172 5.31116 numMergedOcc 0
49 mol 274 unq 3 iso 0 dist 7.1729 13.0867 9.65868 13.5896 9.5468 6.4611 14.3124 12.625 6.66172 5.31116 numMergedOcc 0
50 mol 274 unq 4 iso 0 dist 8.52587 16.9539 8.60027 13.9359 6.70925 6.4611 12.5979 4.60275 6.66172 5.31116 numMergedOcc 0
51 mol 274 unq 5 iso 0 dist 6.39866 8.87855 8.60027 10.7806 6.70925 6.4611 9.19234 4.60275 6.66172 5.31116 numMergedOcc 0
