0 mol 8 unq 0 iso 0 dist 8.96553 8.33604 8.27181 8.53529 4.36226 11.4716 8.4069 9.62879 13.3876 7.18019 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 7.07399 4.29582 6.33828 9.03536 9.97507 7.12903 11.7302 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.4674 6.20943 5.14627 8.40416 9.74255 11.4087 7.67038 4.54938 7.82528 7.75618 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.4674 6.20943 5.14627 8.40416 9.74255 11.4087 10.3915 7.82074 10.2708 12.3215 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 8.78293 10.9543 7.75618 9.74255 6.2337 7.67038 8.4674 13.4721 8.40416 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 4.54938 8.78293 10.9543 7.75618 9.74255 6.2337 5.03957 7.82074 12.6444 12.3215 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 4.54938 8.23643 6.55187 7.75618 9.74255 14.4867 7.67038 8.4674 14.6255 8.40416 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 4.54938 8.23643 6.55187 7.75618 9.74255 14.4867 5.03957 7.82074 8.73972 12.3215 numMergedOcc 0
8 mol 19 unq 6 iso 0 dist 4.54938 7.82528 5.14627 7.75618 9.74255 11.4087 7.67038 8.4674 6.20943 8.40416 numMergedOcc 0
9 mol 19 unq 7 iso 0 dist 4.54938 7.82528 5.14627 7.75618 9.74255 11.4087 5.03957 7.82074 10.2708 12.3215 numMergedOcc 0
10 mol 19 unq 8 iso 0 dist 4.51865 6.20943 4.69858 8.40416 7.08342 11.4087 7.67038 6.864 7.82528 7.75618 numMergedOcc 0
11 mol 19 unq 9 iso 0 dist 4.51865 8.58657 6.74265 6.41423 4.64838 5.90856 5.80928 8.4674 9.58539 6.41575 numMergedOcc 0
12 mol 19 unq 10 iso 0 dist 6.864 8.78293 11.4401 7.75618 7.08342 6.2337 7.67038 4.51865 13.4721 8.40416 numMergedOcc 0
13 mol 19 unq 11 iso 0 dist 6.864 8.23643 12.3093 7.75618 7.08342 14.4867 7.67038 4.51865 14.6255 8.40416 numMergedOcc 0
14 mol 19 unq 12 iso 0 dist 6.864 7.82528 4.69858 7.75618 7.08342 11.4087 7.67038 4.51865 6.20943 8.40416 numMergedOcc 0
15 mol 19 unq 13 iso 0 dist 6.864 8.58657 5.5841 6.41423 4.97119 5.90856 7.07775 7.20519 9.80108 10.741 numMergedOcc 0
16 mol 19 unq 14 iso 0 dist 6.864 8.58657 5.5841 6.41423 4.97119 5.90856 5.80928 4.54938 9.58539 6.41575 numMergedOcc 0
17 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 7.33768 4.32034 5.90981 10.0952 8.86116 12.4274 12.9284 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 6.86014 9.75144 5.39241 9.01567 8.67951 13.2265 10.0952 8.86116 12.4274 13.4393 numMergedOcc 0
19 mol 24 unq 2 iso 0 dist 6.86014 9.75144 5.39241 7.29868 8.52463 13.719 10.0952 8.86116 12.4274 8.60554 numMergedOcc 0
20 mol 43 unq 0 iso 0 dist 6.20293 9.83618 9.49077 8.95682 8.38399 4.54282 5.06502 5.73819 13.5377 12.3649 numMergedOcc 0
21 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 8.95682 8.38399 4.54282 6.45462 8.93915 13.7177 14.3789 numMergedOcc 0
22 mol 58 unq 0 iso 0 dist 6.86465 8.63333 6.47744 9.92355 5.78774 12.0055 5.30792 6.62496 11.5023 5.93884 numMergedOcc 0
23 mol 58 unq 1 iso 0 dist 6.86465 8.63333 6.47744 9.92355 5.78774 12.0055 5.35073 6.35756 8.89374 7.68678 numMergedOcc 0
24 mol 58 unq 2 iso 0 dist 6.62496 9.64665 4.67832 5.93884 5.78774 5.27642 5.30792 6.86465 11.4118 9.92355 numMergedOcc 0
25 mol 58 unq 3 iso 0 dist 6.62496 9.64665 4.67832 5.93884 5.78774 5.27642 4.81926 6.35756 9.66798 7.68678 numMergedOcc 0
26 mol 58 unq 4 iso 0 dist 6.35756 8.89374 6.47744 7.68678 5.78774 12.0055 5.35073 6.86465 8.63333 9.92355 numMergedOcc 0
27 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 7.68678 5.78774 12.0055 4.81926 6.62496 11.5023 5.93884 numMergedOcc 0
28 mol 58 unq 6 iso 0 dist 9.55426 8.26899 10.3782 7.21955 5.74871 10.8421 10.6169 9.4099 13.7148 12.3035 numMergedOcc 0
29 mol 59 unq 0 iso 0 dist 7.71095 8.24062 5.3525 6.73347 9.64444 7.0313 10.0246 6.85766 10.6318 14.8852 numMergedOcc 0
30 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 9.27838 11.6378 4.67641 8.24309 9.78528 11.9814 16.0048 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 9.60661 6.58204 10.9608 7.01812 5.80144 10.0891 5.88134 6.65086 7.75343 8.30845 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 9.35224 6.58204 5.69137 7.01812 10.0456 10.0891 5.88134 6.56369 7.75343 8.30845 numMergedOcc 0
33 mol 100 unq 2 iso 0 dist 7.47343 8.72704 10.1589 7.38135 11.2312 11.0949 8.8807 6.65086 10.5193 15.4031 numMergedOcc 0
34 mol 100 unq 3 iso 0 dist 7.47343 8.72704 10.1589 7.38135 11.2312 11.0949 12.6515 6.56369 15.8984 17.2419 numMergedOcc 0
35 mol 100 unq 4 iso 0 dist 7.47343 8.72704 10.1589 7.38135 11.2312 11.0949 13.887 9.30209 14.8726 19.8941 numMergedOcc 0
36 mol 100 unq 5 iso 0 dist 7.47343 7.75343 15.209 8.30845 12.2861 10.0891 5.33144 6.45675 11.8016 10.6086 numMergedOcc 0
37 mol 100 unq 6 iso 0 dist 7.47343 7.75343 15.209 8.30845 12.2861 10.0891 10.1407 8.86688 15.6924 18.1777 numMergedOcc 0
38 mol 100 unq 7 iso 0 dist 7.47343 7.75343 15.209 8.76378 15.5385 4.44538 5.33144 6.45675 11.8016 13.2102 numMergedOcc 0
39 mol 100 unq 8 iso 0 dist 7.47343 7.75343 15.209 8.76378 15.5385 4.44538 10.1407 8.86688 15.6924 14.0386 numMergedOcc 0
40 mol 100 unq 9 iso 0 dist 6.65086 7.75343 10.9608 8.30845 5.80144 10.0891 5.88134 9.60661 6.58204 7.01812 numMergedOcc 0
41 mol 100 unq 10 iso 0 dist 6.65086 7.75343 10.9608 8.76378 12.3577 4.44538 5.88134 9.60661 6.58204 10.0635 numMergedOcc 0
42 mol 100 unq 11 iso 0 dist 6.56369 7.75343 5.69137 8.30845 10.0456 10.0891 5.88134 9.35224 6.58204 7.01812 numMergedOcc 0
43 mol 100 unq 12 iso 0 dist 6.56369 7.75343 5.69137 8.76378 4.97045 4.44538 5.88134 9.35224 6.58204 10.0635 numMergedOcc 0
44 mol 131 unq 0 iso 0 dist 6.85062 6.91348 6.19596 8.70296 14.2045 9.93183 10.7062 8.40312 12.5969 18.0058 numMergedOcc 0
45 mol 131 unq 1 iso 0 dist 6.85062 6.91348 6.19596 8.70296 14.2045 9.93183 6.63273 7.12972 8.6243 12.6227 numMergedOcc 0
46 mol 131 unq 2 iso 0 dist 6.85062 6.91348 6.19596 9.25558 5.09131 5.90177 10.7062 8.40312 12.5969 13.44 numMergedOcc 0
47 mol 131 unq 3 iso 0 dist 6.85062 6.91348 6.19596 9.25558 5.09131 5.90177 6.63273 7.12972 8.6243 11.586 numMergedOcc 0
48 mol 131 unq 4 iso 0 dist 6.85062 9.51418 6.6499 8.70296 14.2045 16.5048 10.7062 8.40312 13.6559 18.0058 numMergedOcc 0
49 mol 131 unq 5 iso 0 dist 6.85062 9.51418 6.6499 8.70296 14.2045 16.5048 6.63273 7.12972 12.9472 12.6227 numMergedOcc 0
50 mol 131 unq 6 iso 0 dist 6.85062 9.51418 6.6499 9.25558 5.09131 5.70899 10.7062 8.40312 13.6559 13.44 numMergedOcc 0
51 mol 131 unq 7 iso 0 dist 6.85062 9.51418 6.6499 9.25558 5.09131 5.70899 6.63273 7.12972 12.9472 11.586 numMergedOcc 0
52 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 7.80532 7.41674 14.1488 5.79898 9.89303 12.0514 5.83771 numMergedOcc 0
53 mol 134 unq 1 iso 0 dist 6.49416 8.6355 5.41704 7.80532 9.87376 14.1488 8.80819 8.94367 8.79571 10.5252 numMergedOcc 0
54 mol 134 unq 2 iso 0 dist 6.49416 8.6355 5.41704 7.80532 9.87376 14.1488 5.00817 6.37586 5.42582 10.7586 numMergedOcc 0
55 mol 155 unq 0 iso 0 dist 6.43582 9.38946 12.8482 7.92304 5.50031 9.50478 7.66392 7.46303 15.9495 12.2416 numMergedOcc 0
56 mol 155 unq 1 iso 0 dist 6.43582 7.36102 8.27726 7.92304 5.50031 5.50045 7.66392 7.46303 12.1081 12.2416 numMergedOcc 0
57 mol 156 unq 0 iso 0 dist 7.44554 9.36805 6.29785 9.44367 5.4555 10.143 5.56175 8.94056 13.1853 7.90267 numMergedOcc 0
58 mol 156 unq 1 iso 0 dist 7.44554 9.36805 6.29785 9.44367 5.4555 10.143 8.38403 9.83699 7.55203 10.3379 numMergedOcc 0
59 mol 156 unq 2 iso 0 dist 7.44554 9.36805 6.29785 9.47433 11.9952 10.0003 5.56175 8.94056 13.1853 14.7758 numMergedOcc 0
60 mol 156 unq 3 iso 0 dist 7.44554 9.36805 6.29785 9.47433 11.9952 10.0003 8.38403 9.83699 7.55203 13.0431 numMergedOcc 0
61 mol 156 unq 4 iso 0 dist 8.94056 6.27641 8.67156 9.4013 6.13574 5.05683 10.1658 7.66148 10.9818 11.1147 numMergedOcc 0
62 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 8.90963 8.91338 4.43678 13.2049 8.03334 12.1309 16.082 numMergedOcc 0
63 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 8.90963 8.91338 6.03415 13.2049 8.03334 12.2058 16.082 numMergedOcc 0
64 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 8.90963 9.81073 4.43678 10.1912 9.09537 14.4632 18.0578 numMergedOcc 0
65 mol 181 unq 3 iso 0 dist 5.98885 6.71012 9.14057 8.90963 9.81073 6.03415 10.1912 9.09537 15.4777 18.0578 numMergedOcc 0
66 mol 181 unq 4 iso 0 dist 5.98885 7.20046 5.4601 9.72611 5.6044 9.87435 8.88798 9.1374 10.2276 14.2254 numMergedOcc 0
67 mol 181 unq 5 iso 0 dist 5.98885 7.20046 5.4601 9.72611 5.6044 9.87435 5.16002 9.15386 11.968 10.428 numMergedOcc 0
68 mol 181 unq 6 iso 0 dist 5.98885 7.20046 5.4601 7.99195 6.6251 4.69841 8.88798 9.1374 10.2276 6.2479 numMergedOcc 0
69 mol 181 unq 7 iso 0 dist 5.98885 7.20046 5.4601 7.99195 6.6251 4.69841 5.16002 9.15386 11.968 12.8533 numMergedOcc 0
70 mol 181 unq 8 iso 0 dist 5.98885 7.13543 10.0524 9.72611 5.6044 14.6648 8.88798 9.1374 10.7636 14.2254 numMergedOcc 0
71 mol 181 unq 9 iso 0 dist 5.98885 7.13543 10.0524 9.72611 5.6044 14.6648 5.16002 9.15386 11.8099 10.428 numMergedOcc 0
72 mol 181 unq 10 iso 0 dist 5.98885 7.13543 10.0524 7.99195 6.6251 7.23063 8.88798 9.1374 10.7636 6.2479 numMergedOcc 0
73 mol 181 unq 11 iso 0 dist 5.98885 7.13543 10.0524 7.99195 6.6251 7.23063 5.16002 9.15386 11.8099 12.8533 numMergedOcc 0
74 mol 181 unq 12 iso 0 dist 7.81386 4.93785 6.7991 9.39829 7.20191 7.30555 8.85576 7.63312 10.1232 6.41453 numMergedOcc 0
75 mol 181 unq 13 iso 0 dist 7.63312 6.93764 4.80231 5.9176 5.63555 5.60306 8.85576 7.81386 11.4148 10.4943 numMergedOcc 0
76 mol 181 unq 14 iso 0 dist 7.63312 6.93764 4.80231 6.41453 7.20191 6.05477 8.85576 7.81386 11.4148 9.39829 numMergedOcc 0
77 mol 234 unq 0 iso 0 dist 6.56247 6.25105 11.216 9.81425 4.46561 13.0631 5.88703 9.45496 7.85175 13.293 numMergedOcc 0
78 mol 234 unq 1 iso 0 dist 9.36357 6.25105 11.4315 9.81425 10.641 13.0631 5.88703 6.7625 7.85175 13.293 numMergedOcc 0
