0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 8.43054 4.65873 9.81307 10.4366 6.93532 16.9082 10.0132 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 7.95042 5.69214 5.11636 4.32034 7.33768 12.9284 10.8435 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 7.95042 5.69214 5.11636 8.67951 9.01567 13.4393 10.8068 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 7.95042 5.69214 5.11636 8.52463 7.29868 8.60554 5.80953 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.86116 8.38394 6.44287 8.09311 11.6226 6.17155 14.012 9.41441 15.392 19.932 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.86116 8.38394 6.44287 9.05357 13.1949 10.3122 14.012 9.41441 15.392 17.7407 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 8.86116 6.86014 10.0952 7.95042 5.11636 5.69214 8.52463 8.60554 7.29868 5.80953 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 8.86116 6.86014 10.0952 7.95042 5.11636 5.69214 10.971 8.44664 16.1126 12.8213 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 8.86116 6.86014 10.0952 7.95042 5.11636 5.69214 13.4893 9.44691 15.8209 11.7489 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 4.79873 10.2864 11.4148 6.08585 8.50222 7.55264 9.35791 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 7.57578 7.17969 4.33106 9.48085 5.18617 5.68041 6.08585 8.50222 7.55264 6.53269 numMergedOcc 0
11 mol 25 unq 2 iso 0 dist 7.17969 7.57578 4.33106 4.79873 11.4148 10.2864 6.08585 7.55264 8.50222 9.35791 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 7.17969 7.57578 4.33106 9.48085 5.68041 5.18617 6.08585 7.55264 8.50222 6.53269 numMergedOcc 0
13 mol 25 unq 4 iso 0 dist 6.03987 7.31767 4.51512 7.6114 5.86705 6.10919 5.68392 6.85556 9.79094 6.29797 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 6.75943 5.41726 4.96926 8.38399 8.95682 12.3649 10.3764 numMergedOcc 0
15 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 6.75943 5.41726 10.0383 8.38399 8.95682 14.3789 10.3764 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 9.55118 5.69391 9.78221 11.6378 9.27838 16.0048 7.58875 numMergedOcc 0
17 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 9.10345 13.4212 11.6634 11.6378 9.27838 16.0048 14.0067 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.73086 5.70116 17.4121 5.11416 9.24757 13.8696 6.14542 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 9.73086 5.70116 14.844 5.11416 9.24757 13.0145 6.14542 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 8.03644 7.27724 8.41707 9.3948 11.3215 3.94537 11.4333 9.49454 12.1092 16.0499 numMergedOcc 0
21 mol 95 unq 1 iso 0 dist 8.03644 7.27724 8.41707 9.74607 5.06946 6.12605 11.4333 9.49454 12.1092 12.4483 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 5.80144 7.01812 8.30845 6.59691 numMergedOcc 0
23 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 7.82475 5.9143 5.43561 12.2861 8.30845 10.6086 13.9449 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 7.82475 5.9143 5.43561 15.5385 8.76378 13.2102 10.8812 numMergedOcc 0
25 mol 100 unq 3 iso 0 dist 7.47343 6.45675 5.33144 5.35782 5.47563 6.30222 12.2861 8.30845 10.6086 13.2383 numMergedOcc 0
26 mol 100 unq 4 iso 0 dist 7.47343 6.45675 5.33144 5.35782 5.47563 6.30222 15.5385 8.76378 13.2102 11.4348 numMergedOcc 0
27 mol 100 unq 5 iso 0 dist 7.47343 8.86688 10.1407 7.82475 5.9143 5.25234 12.2861 8.30845 18.1777 13.9449 numMergedOcc 0
28 mol 100 unq 6 iso 0 dist 7.47343 8.86688 10.1407 7.82475 5.9143 5.25234 15.5385 8.76378 14.0386 10.8812 numMergedOcc 0
29 mol 100 unq 7 iso 0 dist 7.47343 8.86688 10.1407 5.35782 5.47563 5.03232 12.2861 8.30845 18.1777 13.2383 numMergedOcc 0
30 mol 100 unq 8 iso 0 dist 7.47343 8.86688 10.1407 5.35782 5.47563 5.03232 15.5385 8.76378 14.0386 11.4348 numMergedOcc 0
31 mol 100 unq 9 iso 0 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 5.80144 8.30845 7.01812 6.59691 numMergedOcc 0
32 mol 100 unq 10 iso 0 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 12.3577 8.76378 10.0635 13.2391 numMergedOcc 0
33 mol 133 unq 0 iso 0 dist 8.22656 6.82262 5.61668 7.22643 6.9945 4.19723 10.6025 7.71248 12.4749 13.0475 numMergedOcc 0
34 mol 133 unq 1 iso 0 dist 6.29155 6.80239 7.81217 8.77023 13.0405 13.7612 4.54648 6.16242 5.87634 8.83732 numMergedOcc 0
35 mol 133 unq 2 iso 0 dist 6.29155 8.00618 11.965 8.77023 13.0405 15.0115 4.54648 6.16242 10.9061 8.83732 numMergedOcc 0
36 mol 133 unq 3 iso 0 dist 6.80239 6.29155 7.81217 8.77023 13.7612 13.0405 4.54648 5.87634 6.16242 8.83732 numMergedOcc 0
37 mol 133 unq 4 iso 0 dist 6.80239 8.00618 7.79672 8.77023 13.7612 15.0115 4.54648 5.87634 10.9061 8.83732 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.21868 8.06642 4.00092 4.57832 6.23142 9.94764 9.0176 numMergedOcc 0
39 mol 134 unq 1 iso 0 dist 6.37586 9.71307 6.81259 9.33924 6.95573 10.2026 5.29786 6.23142 9.94764 12.2587 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 7.93372 8.06642 4.00092 5.29786 6.23142 9.94764 9.0176 numMergedOcc 0
41 mol 134 unq 3 iso 0 dist 6.49416 8.94367 8.80819 9.33094 12.3479 7.41373 9.87376 7.80532 10.5252 10.1824 numMergedOcc 0
42 mol 134 unq 4 iso 0 dist 6.49416 6.37586 5.00817 9.33094 12.3479 10.8635 9.87376 7.80532 10.7586 10.1824 numMergedOcc 0
43 mol 134 unq 5 iso 0 dist 9.86662 8.94367 6.81259 7.21868 4.00092 8.06642 4.57832 9.94764 6.23142 9.0176 numMergedOcc 0
44 mol 134 unq 6 iso 0 dist 9.71307 6.37586 6.81259 9.33924 10.2026 6.95573 5.29786 9.94764 6.23142 12.2587 numMergedOcc 0
45 mol 134 unq 7 iso 0 dist 9.71307 6.37586 6.81259 7.93372 4.00092 8.06642 5.29786 9.94764 6.23142 9.0176 numMergedOcc 0
46 mol 155 unq 0 iso 0 dist 6.43582 7.46303 7.66392 8.97626 4.91785 9.16779 5.50031 7.92304 12.2416 9.16358 numMergedOcc 0
47 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 9.76212 12.9532 6.50233 8.91338 8.90963 16.082 17.8171 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 8.03334 9.1374 13.2049 9.76212 6.50233 12.9532 4.43096 6.46704 12.4878 7.35884 numMergedOcc 0
49 mol 181 unq 2 iso 0 dist 8.03334 9.1374 13.2049 9.76212 6.50233 12.9532 8.04639 6.59025 10.6908 11.6588 numMergedOcc 0
50 mol 181 unq 3 iso 0 dist 7.81386 7.63312 8.85576 6.64173 6.8757 10.6474 7.20191 9.39829 6.41453 12.6232 numMergedOcc 0
51 mol 181 unq 4 iso 0 dist 7.81386 7.63312 8.85576 9.01624 5.71898 5.93724 7.20191 9.39829 6.41453 5.99437 numMergedOcc 0
52 mol 181 unq 5 iso 0 dist 7.81386 7.63312 8.85576 9.55105 5.83796 5.12833 7.20191 9.39829 6.41453 8.4848 numMergedOcc 0
53 mol 181 unq 6 iso 0 dist 7.63312 7.81386 8.85576 6.64173 10.6474 6.8757 5.63555 5.9176 10.4943 8.12266 numMergedOcc 0
54 mol 181 unq 7 iso 0 dist 7.63312 7.81386 8.85576 6.64173 10.6474 6.8757 7.20191 6.41453 9.39829 12.6232 numMergedOcc 0
55 mol 181 unq 8 iso 0 dist 7.63312 7.81386 8.85576 9.01624 5.93724 5.71898 5.63555 5.9176 10.4943 10.5303 numMergedOcc 0
56 mol 181 unq 9 iso 0 dist 7.63312 7.81386 8.85576 9.01624 5.93724 5.71898 7.20191 6.41453 9.39829 5.99437 numMergedOcc 0
57 mol 181 unq 10 iso 0 dist 7.63312 7.81386 8.85576 9.55105 5.12833 5.83796 5.63555 5.9176 10.4943 9.43306 numMergedOcc 0
58 mol 181 unq 11 iso 0 dist 7.63312 7.81386 8.85576 9.55105 5.12833 5.83796 7.20191 6.41453 9.39829 8.4848 numMergedOcc 0
59 mol 204 unq 0 iso 0 dist 8.51516 7.10633 10.8344 7.9133 5.57347 10.7169 5.86489 7.32294 11.5776 9.48625 numMergedOcc 0
60 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 6.52816 13.514 9.49403 10.3603 5.44002 12.3113 16.7889 numMergedOcc 0
61 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 6.52816 13.514 3.56269 10.3603 5.44002 17.9798 16.7889 numMergedOcc 0
62 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 6.35849 7.43071 6.02296 9.18728 numMergedOcc 0
63 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 10.9607 5.41321 9.74265 8.91971 numMergedOcc 0
64 mol 227 unq 2 iso 0 dist 7.09863 7.22101 4.39704 5.23634 5.83175 5.0317 6.35849 6.02296 7.43071 9.18728 numMergedOcc 0
65 mol 229 unq 0 iso 0 dist 8.22528 7.03423 5.57838 7.27993 5.70473 7.22525 6.65022 8.66332 11.1976 9.37336 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 8.13497 8.53687 10.582 9.07743 8.8603 6.73882 8.41846 7.98231 15.5791 14.6679 numMergedOcc 0
67 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 9.63573 7.20604 5.05362 8.81835 7.98231 11.6972 11.547 numMergedOcc 0
68 mol 259 unq 2 iso 0 dist 7.88519 7.84554 4.86771 7.66153 8.8603 5.8801 8.81835 7.98231 11.6972 14.6679 numMergedOcc 0
69 mol 259 unq 3 iso 0 dist 7.88519 7.46176 6.96053 9.63573 7.20604 5.21606 8.81835 7.98231 7.08526 11.547 numMergedOcc 0
70 mol 259 unq 4 iso 0 dist 7.88519 7.46176 6.96053 7.66153 8.8603 11.8896 8.81835 7.98231 7.08526 14.6679 numMergedOcc 0
71 mol 259 unq 5 iso 0 dist 7.88519 9.18903 10.4881 9.63573 7.20604 7.46841 8.81835 7.98231 15.8414 11.547 numMergedOcc 0
72 mol 259 unq 6 iso 0 dist 7.88519 9.18903 10.4881 7.66153 8.8603 5.81576 8.81835 7.98231 15.8414 14.6679 numMergedOcc 0
73 mol 259 unq 7 iso 0 dist 7.46176 7.88519 6.96053 9.63573 5.21606 7.20604 8.81835 7.08526 7.98231 11.547 numMergedOcc 0
74 mol 259 unq 8 iso 0 dist 7.46176 7.88519 6.96053 7.66153 11.8896 8.8603 8.81835 7.08526 7.98231 14.6679 numMergedOcc 0
75 mol 259 unq 9 iso 0 dist 7.46176 7.84554 7.64658 9.63573 5.21606 5.05362 8.81835 7.08526 11.6972 11.547 numMergedOcc 0
76 mol 259 unq 10 iso 0 dist 7.46176 7.84554 7.64658 7.66153 11.8896 5.8801 8.81835 7.08526 11.6972 14.6679 numMergedOcc 0
77 mol 259 unq 11 iso 0 dist 7.46176 9.18903 10.5239 9.63573 5.21606 7.46841 8.81835 7.08526 15.8414 11.547 numMergedOcc 0
78 mol 259 unq 12 iso 0 dist 7.46176 9.18903 10.5239 7.66153 11.8896 5.81576 8.81835 7.08526 15.8414 14.6679 numMergedOcc 0
