0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 8.27181 8.33604 13.3876 4.36226 8.53529 7.18019 11.4716 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.97507 8.38064 9.03536 5.90976 7.12903 8.21493 4.29582 11.7302 7.07399 6.33828 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 6.82505 9.97507 5.17568 5.55659 9.78051 10.2713 12.1303 11.2317 7.48342 8.56857 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 5.5841 9.80108 9.58539 4.97119 10.741 6.41575 5.90856 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 5.5841 9.80108 8.58657 4.97119 10.741 6.41423 5.90856 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 8.4674 4.54938 7.67038 5.14627 6.20943 7.82528 9.74255 8.40416 7.75618 11.4087 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 4.54938 8.4674 7.67038 10.9543 8.78293 13.4721 9.74255 7.75618 8.40416 6.2337 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 4.54938 8.4674 7.67038 6.55187 8.23643 14.6255 9.74255 7.75618 8.40416 14.4867 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 4.54938 8.4674 7.67038 5.14627 7.82528 6.20943 9.74255 7.75618 8.40416 11.4087 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 7.82074 8.4674 10.3915 6.55187 8.73972 14.6255 9.74255 12.3215 8.40416 14.4867 numMergedOcc 0
10 mol 19 unq 7 iso 0 dist 7.82074 4.54938 5.03957 6.55187 8.73972 8.23643 9.74255 12.3215 7.75618 14.4867 numMergedOcc 0
11 mol 19 unq 8 iso 0 dist 4.51865 8.4674 5.80928 6.74265 8.58657 9.58539 4.64838 6.41423 6.41575 5.90856 numMergedOcc 0
12 mol 19 unq 9 iso 0 dist 4.51865 6.864 7.67038 4.69858 6.20943 7.82528 7.08342 8.40416 7.75618 11.4087 numMergedOcc 0
13 mol 19 unq 10 iso 0 dist 6.864 4.54938 5.80928 5.5841 8.58657 9.58539 4.97119 6.41423 6.41575 5.90856 numMergedOcc 0
14 mol 19 unq 11 iso 0 dist 6.864 4.51865 7.67038 11.4401 8.78293 13.4721 7.08342 7.75618 8.40416 6.2337 numMergedOcc 0
15 mol 19 unq 12 iso 0 dist 6.864 4.51865 7.67038 12.3093 8.23643 14.6255 7.08342 7.75618 8.40416 14.4867 numMergedOcc 0
16 mol 19 unq 13 iso 0 dist 6.864 4.51865 7.67038 4.69858 7.82528 6.20943 7.08342 7.75618 8.40416 11.4087 numMergedOcc 0
17 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 5.39241 9.75144 12.4274 8.52463 7.29868 8.60554 13.719 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 5.39241 9.75144 12.4274 10.971 16.1126 8.44664 13.0793 numMergedOcc 0
19 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 5.39241 9.75144 12.4274 13.4893 15.8209 9.44691 18.3471 numMergedOcc 0
20 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 5.78774 9.92355 5.93884 12.0055 numMergedOcc 0
21 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 5.78774 9.92355 7.68678 12.0055 numMergedOcc 0
22 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 4.67832 9.64665 11.4118 5.78774 5.93884 9.92355 5.27642 numMergedOcc 0
23 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 4.67832 9.64665 9.66798 5.78774 5.93884 7.68678 5.27642 numMergedOcc 0
24 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 5.78774 7.68678 9.92355 12.0055 numMergedOcc 0
25 mol 58 unq 5 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 5.78774 7.68678 5.93884 12.0055 numMergedOcc 0
26 mol 72 unq 0 iso 0 dist 9.78528 9.96708 8.24309 11.6894 9.02278 12.0903 11.6378 16.0048 9.27838 19.3148 numMergedOcc 0
27 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 10.9608 6.58204 7.75343 5.80144 7.01812 8.30845 10.0891 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 9.60661 6.65086 5.88134 10.9608 6.58204 7.75343 12.3577 10.0635 8.76378 4.44538 numMergedOcc 0
29 mol 100 unq 2 iso 0 dist 9.35224 6.56369 5.88134 5.69137 6.58204 7.75343 10.0456 7.01812 8.30845 10.0891 numMergedOcc 0
30 mol 100 unq 3 iso 0 dist 9.35224 6.56369 5.88134 5.69137 6.58204 7.75343 4.97045 10.0635 8.76378 4.44538 numMergedOcc 0
31 mol 100 unq 4 iso 0 dist 6.65086 9.60661 5.88134 10.9608 7.75343 6.58204 5.80144 8.30845 7.01812 10.0891 numMergedOcc 0
32 mol 100 unq 5 iso 0 dist 6.56369 9.35224 5.88134 5.69137 7.75343 6.58204 10.0456 8.30845 7.01812 10.0891 numMergedOcc 0
33 mol 131 unq 0 iso 0 dist 7.12972 6.85062 6.63273 6.19596 8.6243 6.91348 14.2045 12.6227 8.70296 9.93183 numMergedOcc 0
34 mol 131 unq 1 iso 0 dist 7.12972 6.85062 6.63273 6.19596 8.6243 6.91348 5.09131 11.586 9.25558 5.90177 numMergedOcc 0
35 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 4.54648 10.9061 6.16242 16.2339 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 4.54648 10.9061 5.87634 16.2339 numMergedOcc 0
37 mol 134 unq 0 iso 0 dist 6.54501 9.89303 5.79898 10.1448 8.6355 12.0514 7.41674 7.80532 5.83771 14.1488 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 5.41704 8.79571 8.6355 9.87376 10.5252 7.80532 14.1488 numMergedOcc 0
39 mol 134 unq 2 iso 0 dist 6.37586 6.49416 5.00817 5.41704 5.42582 8.6355 9.87376 10.7586 7.80532 14.1488 numMergedOcc 0
40 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 6.3437 9.17284 12.2465 5.50031 12.2416 7.92304 10.1521 numMergedOcc 0
41 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 6.29785 9.36805 13.1853 5.4555 9.44367 7.90267 10.143 numMergedOcc 0
42 mol 156 unq 1 iso 0 dist 9.83699 7.44554 8.38403 6.29785 7.55203 9.36805 5.4555 10.3379 9.44367 10.143 numMergedOcc 0
43 mol 156 unq 2 iso 0 dist 9.83699 7.44554 8.38403 6.29785 7.55203 9.36805 11.9952 13.0431 9.47433 10.0003 numMergedOcc 0
44 mol 156 unq 3 iso 0 dist 9.83699 8.94056 11.2719 6.29785 7.55203 13.1853 5.4555 10.3379 7.90267 10.143 numMergedOcc 0
45 mol 175 unq 0 iso 0 dist 9.0018 6.57069 8.16421 11.0415 9.31887 11.3137 8.29015 10.4182 9.77896 4.30489 numMergedOcc 0
46 mol 175 unq 1 iso 0 dist 5.6234 6.57069 5.35493 5.28109 9.0664 11.5506 8.29015 11.6765 9.77896 9.75742 numMergedOcc 0
47 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 6.25083 6.94688 12.1309 4.43096 12.4878 6.46704 10.6325 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 9.1374 8.03334 13.2049 6.25083 6.94688 12.1309 8.04639 10.6908 6.59025 8.15174 numMergedOcc 0
49 mol 181 unq 2 iso 0 dist 9.1374 8.03334 13.2049 4.77278 6.71012 12.2058 4.43096 12.4878 6.46704 8.45963 numMergedOcc 0
50 mol 181 unq 3 iso 0 dist 9.1374 8.03334 13.2049 4.77278 6.71012 12.2058 8.04639 10.6908 6.59025 11.047 numMergedOcc 0
51 mol 181 unq 4 iso 0 dist 5.98885 9.1374 8.88798 5.4601 7.20046 10.2276 6.6251 7.99195 6.2479 4.69841 numMergedOcc 0
52 mol 181 unq 5 iso 0 dist 5.98885 9.1374 8.88798 10.0524 7.13543 10.7636 6.6251 7.99195 6.2479 7.23063 numMergedOcc 0
53 mol 181 unq 6 iso 0 dist 9.15386 9.1374 12.1628 8.25067 9.6668 13.2702 6.6251 12.8533 6.2479 14.048 numMergedOcc 0
54 mol 181 unq 7 iso 0 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 5.6044 10.428 9.72611 6.27947 numMergedOcc 0
55 mol 181 unq 8 iso 0 dist 9.15386 5.98885 5.16002 8.25067 9.6668 10.8351 6.6251 12.8533 7.99195 14.048 numMergedOcc 0
56 mol 181 unq 9 iso 0 dist 7.81386 7.63312 8.85576 6.7991 4.93785 10.1232 5.63555 10.4943 5.9176 11.5017 numMergedOcc 0
57 mol 181 unq 10 iso 0 dist 7.81386 7.63312 8.85576 6.7991 4.93785 10.1232 7.20191 9.39829 6.41453 7.30555 numMergedOcc 0
58 mol 181 unq 11 iso 0 dist 7.63312 7.81386 8.85576 4.80231 6.93764 11.4148 7.20191 6.41453 9.39829 6.05477 numMergedOcc 0
59 mol 234 unq 0 iso 0 dist 9.45496 6.56247 5.88703 15.9563 9.5707 10.3388 4.46561 13.293 9.81425 18.2483 numMergedOcc 0
60 mol 234 unq 1 iso 0 dist 9.45496 6.56247 5.88703 11.216 7.85175 6.25105 4.46561 13.293 9.81425 13.0631 numMergedOcc 0
61 mol 234 unq 2 iso 0 dist 6.7625 9.36357 5.88703 14.4106 9.5707 10.3388 10.641 13.293 9.81425 18.2483 numMergedOcc 0
62 mol 234 unq 3 iso 0 dist 6.7625 9.36357 5.88703 11.4315 7.85175 6.25105 10.641 13.293 9.81425 13.0631 numMergedOcc 0
63 mol 274 unq 0 iso 0 dist 8.49997 7.56915 6.33073 6.8406 7.97444 11.5594 5.29529 11.6126 8.52587 10.7248 numMergedOcc 0
