0 mol 16 unq 0 iso 0 dist 6.31718 5.05803 6.92781 6.93532 10.4366 5.30082 10.8455 7.63133 12.5273 16.9082 4.65873 8.43054 6.57331 10.0132 9.81307 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 10.0952 6.86014 12.5077 7.29868 5.11636 7.95042 10.9819 5.80953 5.69214 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 8.44664 10.971 5.30734 10.0952 6.86014 12.5077 16.1126 5.11636 7.95042 10.9819 12.8213 5.69214 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 9.44691 13.4893 12.505 10.0952 6.86014 12.5077 15.8209 5.11636 7.95042 10.9819 11.7489 5.69214 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 6.44287 8.38394 12.5077 15.392 11.6226 8.09311 16.0162 19.932 6.17155 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 6.44287 8.38394 12.5077 15.392 13.1949 9.05357 16.8554 17.7407 10.3122 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 6.20293 8.80331 8.13395 8.95682 8.38399 6.18002 5.06502 5.73819 10.5523 12.3649 5.41726 6.75943 6.6263 10.3764 4.96926 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 8.95682 8.38399 6.18002 6.45462 8.93915 14.7803 14.3789 5.41726 6.75943 6.6263 10.3764 10.0383 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 8.24309 9.78528 9.84449 16.0048 5.69391 9.55118 13.6019 7.58875 9.78221 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 8.24309 9.78528 9.84449 16.0048 13.4212 9.10345 18.0706 14.0067 11.6634 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 9.24757 5.11416 6.56633 15.7123 9.38498 10.2049 13.8696 5.70116 9.73086 7.4369 6.14542 17.4121 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 9.24757 5.11416 6.56633 12.016 9.75218 11.6369 13.0145 5.70116 9.73086 7.4369 6.14542 14.844 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 9.24757 5.11416 15.3808 15.7123 9.38498 20.257 13.8696 5.70116 9.73086 12.8207 6.14542 17.4121 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.96396 8.70481 14.9342 9.24757 5.11416 15.3808 12.016 9.75218 10.1207 13.0145 5.70116 9.73086 12.8207 6.14542 14.844 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.03644 9.03572 16.6055 9.49454 11.4333 13.3662 8.41707 7.27724 16.9836 12.1092 11.3215 9.3948 19.7448 16.0499 3.94537 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 8.03644 9.03572 16.6055 9.49454 11.4333 13.3662 8.41707 7.27724 16.9836 12.1092 5.06946 9.74607 11.97 12.4483 6.12605 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 8.03644 8.83255 13.8105 9.49454 11.4333 12.0666 8.41707 7.27724 16.9811 12.1092 11.3215 9.3948 19.9408 16.0499 3.94537 numMergedOcc 0
17 mol 95 unq 3 iso 0 dist 8.03644 8.83255 13.8105 9.49454 11.4333 12.0666 8.41707 7.27724 16.9811 12.1092 5.06946 9.74607 13.5721 12.4483 6.12605 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 7.01812 5.80144 8.4128 5.88134 6.65086 10.5134 8.30845 4.03277 8.91882 10.5432 6.59691 6.23008 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 7.01812 5.80144 10.0456 5.88134 6.65086 6.56369 8.30845 4.03277 8.91882 11.5088 6.59691 6.23008 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 5.33144 6.45675 10.1409 10.6086 5.9143 7.82475 11.9928 13.9449 5.43561 numMergedOcc 0
21 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 5.33144 6.45675 10.1409 10.6086 5.47563 5.35782 9.94341 13.2383 6.30222 numMergedOcc 0
22 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 10.1407 8.86688 14.9102 18.1777 5.9143 7.82475 11.9928 13.9449 5.25234 numMergedOcc 0
23 mol 100 unq 5 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 10.1407 8.86688 14.9102 18.1777 5.47563 5.35782 9.94341 13.2383 5.03232 numMergedOcc 0
24 mol 100 unq 6 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 5.33144 6.45675 10.1409 13.2102 5.9143 7.82475 11.9928 10.8812 5.43561 numMergedOcc 0
25 mol 100 unq 7 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 5.33144 6.45675 10.1409 13.2102 5.47563 5.35782 9.94341 11.4348 6.30222 numMergedOcc 0
26 mol 100 unq 8 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 10.1407 8.86688 14.9102 14.0386 5.9143 7.82475 11.9928 10.8812 5.25234 numMergedOcc 0
27 mol 100 unq 9 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 10.1407 8.86688 14.9102 14.0386 5.47563 5.35782 9.94341 11.4348 5.03232 numMergedOcc 0
28 mol 100 unq 10 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 5.33144 6.45675 11.8665 10.6086 5.9143 7.82475 10.694 13.9449 5.43561 numMergedOcc 0
29 mol 100 unq 11 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 5.33144 6.45675 11.8665 10.6086 5.47563 5.35782 9.82522 13.2383 6.30222 numMergedOcc 0
30 mol 100 unq 12 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 10.1407 8.86688 13.6959 18.1777 5.9143 7.82475 10.694 13.9449 5.25234 numMergedOcc 0
31 mol 100 unq 13 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 10.1407 8.86688 13.6959 18.1777 5.47563 5.35782 9.82522 13.2383 5.03232 numMergedOcc 0
32 mol 100 unq 14 iso 0 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 5.33144 6.45675 11.8665 13.2102 5.9143 7.82475 10.694 10.8812 5.43561 numMergedOcc 0
33 mol 100 unq 15 iso 0 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 5.33144 6.45675 11.8665 13.2102 5.47563 5.35782 9.82522 11.4348 6.30222 numMergedOcc 0
34 mol 100 unq 16 iso 0 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 10.1407 8.86688 13.6959 14.0386 5.9143 7.82475 10.694 10.8812 5.25234 numMergedOcc 0
35 mol 100 unq 17 iso 0 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 10.1407 8.86688 13.6959 14.0386 5.47563 5.35782 9.82522 11.4348 5.03232 numMergedOcc 0
36 mol 100 unq 18 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 5.33144 6.45675 13.912 10.6086 5.9143 7.82475 14.966 13.9449 5.43561 numMergedOcc 0
37 mol 100 unq 19 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 5.33144 6.45675 13.912 10.6086 5.47563 5.35782 13.4844 13.2383 6.30222 numMergedOcc 0
38 mol 100 unq 20 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 10.1407 8.86688 18.2109 18.1777 5.9143 7.82475 14.966 13.9449 5.25234 numMergedOcc 0
39 mol 100 unq 21 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 10.1407 8.86688 18.2109 18.1777 5.47563 5.35782 13.4844 13.2383 5.03232 numMergedOcc 0
40 mol 100 unq 22 iso 0 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 5.33144 6.45675 13.912 13.2102 5.9143 7.82475 14.966 10.8812 5.43561 numMergedOcc 0
41 mol 100 unq 23 iso 0 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 5.33144 6.45675 13.912 13.2102 5.47563 5.35782 13.4844 11.4348 6.30222 numMergedOcc 0
42 mol 100 unq 24 iso 0 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 10.1407 8.86688 18.2109 14.0386 5.9143 7.82475 14.966 10.8812 5.25234 numMergedOcc 0
43 mol 100 unq 25 iso 0 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 10.1407 8.86688 18.2109 14.0386 5.47563 5.35782 13.4844 11.4348 5.03232 numMergedOcc 0
44 mol 100 unq 26 iso 0 dist 6.65086 7.47343 8.8807 8.30845 5.80144 12.2861 5.88134 9.60661 12.0662 7.01812 6.23008 8.91882 9.76432 6.59691 4.03277 numMergedOcc 0
45 mol 100 unq 27 iso 0 dist 6.65086 7.47343 8.8807 8.76378 12.3577 15.5385 5.88134 9.60661 12.0662 10.0635 6.23008 8.91882 9.76432 13.2391 4.03277 numMergedOcc 0
46 mol 100 unq 28 iso 0 dist 6.65086 6.56369 7.80879 8.30845 5.80144 10.0456 5.88134 9.60661 9.35224 7.01812 6.23008 8.91882 11.5088 6.59691 4.03277 numMergedOcc 0
47 mol 100 unq 29 iso 0 dist 6.65086 6.56369 7.80879 8.76378 12.3577 4.97045 5.88134 9.60661 9.35224 10.0635 6.23008 8.91882 11.5088 13.2391 4.03277 numMergedOcc 0
48 mol 100 unq 30 iso 0 dist 6.65086 9.30209 5.38414 8.30845 5.80144 6.70236 5.88134 9.60661 10.5853 7.01812 6.23008 8.91882 11.6812 6.59691 4.03277 numMergedOcc 0
49 mol 100 unq 31 iso 0 dist 6.65086 9.30209 5.38414 8.76378 12.3577 10.7791 5.88134 9.60661 10.5853 10.0635 6.23008 8.91882 11.6812 13.2391 4.03277 numMergedOcc 0
50 mol 133 unq 0 iso 0 dist 8.22656 7.24514 6.65743 7.71248 10.6025 4.34568 5.61668 6.82262 10.2995 12.4749 6.9945 7.22643 10.4642 13.0475 4.19723 numMergedOcc 0
51 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 6.81259 9.86662 9.71307 9.94764 8.06642 7.21868 7.93372 9.0176 4.00092 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 6.81259 9.86662 12.5075 9.94764 8.06642 7.21868 11.988 9.0176 4.00092 numMergedOcc 0
53 mol 134 unq 2 iso 0 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 6.81259 9.71307 9.86662 9.94764 6.95573 9.33924 13.9752 12.2587 10.2026 numMergedOcc 0
54 mol 134 unq 3 iso 0 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 6.81259 9.71307 9.86662 9.94764 8.06642 7.93372 7.21868 9.0176 4.00092 numMergedOcc 0
55 mol 134 unq 4 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 6.81259 9.71307 12.5075 9.94764 6.95573 9.33924 9.55584 12.2587 10.2026 numMergedOcc 0
56 mol 134 unq 5 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 6.81259 9.71307 12.5075 9.94764 8.06642 7.93372 11.988 9.0176 4.00092 numMergedOcc 0
57 mol 134 unq 6 iso 0 dist 6.49416 6.54501 5.00526 7.80532 9.87376 7.41674 8.80819 8.94367 11.9139 10.5252 12.3479 9.33094 11.2896 10.1824 7.41373 numMergedOcc 0
58 mol 134 unq 7 iso 0 dist 6.49416 6.54501 5.00526 7.80532 9.87376 7.41674 5.00817 6.37586 9.5126 10.7586 12.3479 9.33094 11.2896 10.1824 10.8635 numMergedOcc 0
59 mol 134 unq 8 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 6.81259 8.94367 6.37586 6.23142 4.00092 7.21868 7.93372 9.0176 8.06642 numMergedOcc 0
60 mol 134 unq 9 iso 0 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 6.81259 6.37586 8.94367 6.23142 10.2026 9.33924 13.9752 12.2587 6.95573 numMergedOcc 0
61 mol 134 unq 10 iso 0 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 6.81259 6.37586 8.94367 6.23142 4.00092 7.93372 7.21868 9.0176 8.06642 numMergedOcc 0
62 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 8.90963 8.91338 9.81073 13.2049 8.03334 10.7062 16.082 12.9532 9.76212 13.2783 17.8171 6.50233 numMergedOcc 0
63 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 8.90963 8.91338 9.34211 13.2049 8.03334 14.9794 16.082 12.9532 9.76212 18.2853 17.8171 6.50233 numMergedOcc 0
64 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 7.43071 6.35849 6.00424 4.39704 7.09863 10.4905 6.02296 5.0317 5.23634 10.7855 9.18728 5.83175 numMergedOcc 0
65 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 5.41321 10.9607 10.7656 4.39704 7.09863 10.4905 9.74265 5.0317 5.23634 10.7855 8.91971 5.83175 numMergedOcc 0
66 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.43071 6.35849 10.204 4.39704 7.09863 10.8157 6.02296 5.0317 5.23634 6.91318 9.18728 5.83175 numMergedOcc 0
67 mol 227 unq 3 iso 0 dist 7.22101 8.65997 5.22356 5.41321 10.9607 9.72615 4.39704 7.09863 10.8157 9.74265 5.0317 5.23634 6.91318 8.91971 5.83175 numMergedOcc 0
68 mol 227 unq 4 iso 0 dist 7.22101 7.56888 10.8658 7.43071 6.35849 9.76735 4.39704 7.09863 11.0431 6.02296 5.0317 5.23634 11.2661 9.18728 5.83175 numMergedOcc 0
69 mol 227 unq 5 iso 0 dist 7.22101 7.56888 10.8658 5.41321 10.9607 5.10635 4.39704 7.09863 11.0431 9.74265 5.0317 5.23634 11.2661 8.91971 5.83175 numMergedOcc 0
70 mol 227 unq 6 iso 0 dist 7.22101 7.55216 12.4689 7.43071 6.35849 9.32448 4.39704 7.09863 10.0334 6.02296 5.0317 5.23634 12.3663 9.18728 5.83175 numMergedOcc 0
71 mol 227 unq 7 iso 0 dist 7.22101 7.55216 12.4689 5.41321 10.9607 6.48027 4.39704 7.09863 10.0334 9.74265 5.0317 5.23634 12.3663 8.91971 5.83175 numMergedOcc 0
72 mol 259 unq 0 iso 0 dist 8.13497 7.88519 4.69778 7.98231 8.41846 8.81835 10.582 8.53687 10.5767 15.5791 8.8603 9.07743 7.66153 14.6679 6.73882 numMergedOcc 0
73 mol 259 unq 1 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 4.86771 7.84554 9.95973 11.6972 7.20604 9.63573 12.8229 11.547 5.05362 numMergedOcc 0
74 mol 259 unq 2 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 4.86771 7.84554 9.95973 11.6972 8.8603 7.66153 9.07743 14.6679 5.8801 numMergedOcc 0
75 mol 259 unq 3 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 6.96053 7.46176 10.3935 7.08526 7.20604 9.63573 12.8229 11.547 5.21606 numMergedOcc 0
76 mol 259 unq 4 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 6.96053 7.46176 10.3935 7.08526 8.8603 7.66153 9.07743 14.6679 11.8896 numMergedOcc 0
77 mol 259 unq 5 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 10.4881 9.18903 12.6839 15.8414 7.20604 9.63573 12.8229 11.547 7.46841 numMergedOcc 0
78 mol 259 unq 6 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 10.4881 9.18903 12.6839 15.8414 8.8603 7.66153 9.07743 14.6679 5.81576 numMergedOcc 0
