0 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 5.80928 4.51865 6.864 11.0366 9.74255 8.40416 7.75618 12.3215 7.08342 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 8.4674 7.82074 10.3915 4.54938 7.67038 5.03957 5.80928 4.51865 11.0366 6.864 9.74255 8.40416 12.3215 7.75618 7.08342 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 7.67038 8.4674 10.4091 4.51865 4.97119 6.41575 10.741 6.41423 4.64838 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 7.67038 8.4674 4.51865 10.4091 4.97119 6.41575 6.41423 10.741 4.64838 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 5.03957 7.82074 12.1187 11.0366 4.97119 6.41575 10.741 6.41423 6.01808 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 5.03957 7.82074 11.0366 12.1187 4.97119 6.41575 6.41423 10.741 6.01808 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 7.34551 7.20519 10.4091 12.1187 9.74255 7.75618 8.40416 12.3215 4.96411 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 7.34551 7.20519 12.1187 10.4091 9.74255 7.75618 12.3215 8.40416 4.96411 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.80928 6.864 4.51865 11.0366 9.74255 7.75618 8.40416 12.3215 7.08342 numMergedOcc 0
9 mol 19 unq 4 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.80928 6.864 11.0366 4.51865 9.74255 7.75618 12.3215 8.40416 7.08342 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 7.67038 4.51865 10.4091 8.4674 4.97119 6.41423 10.741 6.41575 4.64838 numMergedOcc 0
11 mol 19 unq 5 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 7.67038 4.51865 8.4674 10.4091 4.97119 6.41423 6.41575 10.741 4.64838 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 8.13395 8.80331 10.5523 14.7803 8.38399 8.95682 12.3649 14.3789 6.18002 numMergedOcc 0
13 mol 43 unq 0 iso 1 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 8.13395 8.80331 14.7803 10.5523 8.38399 8.95682 14.3789 12.3649 6.18002 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 5.4148 6.19304 10.2049 11.6369 5.11416 9.24757 13.8696 13.0145 6.56633 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 5.4148 6.19304 11.6369 10.2049 5.11416 9.24757 13.0145 13.8696 6.56633 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 14.9342 8.70481 20.257 10.1207 5.11416 9.24757 13.8696 13.0145 15.3808 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 14.9342 8.70481 10.1207 20.257 5.11416 9.24757 13.0145 13.8696 15.3808 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.47541 7.66905 5.42586 5.73196 6.87425 10.1164 6.9948 7.97049 6.19965 11.2656 13.5116 9.82915 12.0078 14.4382 9.29301 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 7.47541 5.73196 6.87425 7.66905 5.42586 10.1164 6.9948 7.97049 11.2656 6.19965 13.5116 9.82915 14.4382 12.0078 9.29301 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 10.7229 7.95579 11.3023 15.309 4.65335 7.54568 10.0796 9.39864 10.2865 numMergedOcc 0
21 mol 85 unq 1 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 10.7229 7.95579 15.309 11.3023 4.65335 7.54568 9.39864 10.0796 10.2865 numMergedOcc 0
22 mol 85 unq 2 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 6.9948 6.19965 7.97049 11.2656 4.65335 7.54568 10.0796 9.39864 8.09967 numMergedOcc 0
23 mol 85 unq 2 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 6.9948 6.19965 11.2656 7.97049 4.65335 7.54568 9.39864 10.0796 8.09967 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 8.8807 6.65086 10.1409 14.9102 12.2861 8.30845 10.6086 18.1777 5.80144 numMergedOcc 0
25 mol 100 unq 0 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 8.8807 6.65086 14.9102 10.1409 12.2861 8.30845 18.1777 10.6086 5.80144 numMergedOcc 0
26 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 8.8807 6.65086 10.1409 14.9102 15.5385 8.76378 13.2102 14.0386 12.3577 numMergedOcc 0
27 mol 100 unq 1 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 8.8807 6.65086 14.9102 10.1409 15.5385 8.76378 14.0386 13.2102 12.3577 numMergedOcc 0
28 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 12.6515 6.56369 11.8665 13.6959 12.2861 8.30845 10.6086 18.1777 10.0456 numMergedOcc 0
29 mol 100 unq 2 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 12.6515 6.56369 13.6959 11.8665 12.2861 8.30845 18.1777 10.6086 10.0456 numMergedOcc 0
30 mol 100 unq 3 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 12.6515 6.56369 11.8665 13.6959 15.5385 8.76378 13.2102 14.0386 4.97045 numMergedOcc 0
31 mol 100 unq 3 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 12.6515 6.56369 13.6959 11.8665 15.5385 8.76378 14.0386 13.2102 4.97045 numMergedOcc 0
32 mol 100 unq 4 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 13.887 9.30209 13.912 18.2109 12.2861 8.30845 10.6086 18.1777 6.70236 numMergedOcc 0
33 mol 100 unq 4 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 13.887 9.30209 18.2109 13.912 12.2861 8.30845 18.1777 10.6086 6.70236 numMergedOcc 0
34 mol 100 unq 5 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 13.887 9.30209 13.912 18.2109 15.5385 8.76378 13.2102 14.0386 10.7791 numMergedOcc 0
35 mol 100 unq 5 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 13.887 9.30209 18.2109 13.912 15.5385 8.76378 14.0386 13.2102 10.7791 numMergedOcc 0
36 mol 100 unq 6 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 5.33144 6.45675 10.1409 11.8665 11.2312 7.38135 15.4031 17.2419 7.11701 numMergedOcc 0
37 mol 100 unq 6 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 5.33144 6.45675 11.8665 10.1409 11.2312 7.38135 17.2419 15.4031 7.11701 numMergedOcc 0
38 mol 100 unq 7 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1407 8.86688 14.9102 13.6959 11.2312 7.38135 15.4031 17.2419 7.79768 numMergedOcc 0
39 mol 100 unq 7 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 10.1407 8.86688 13.6959 14.9102 11.2312 7.38135 17.2419 15.4031 7.79768 numMergedOcc 0
40 mol 100 unq 8 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.33144 6.45675 10.1409 13.912 11.2312 7.38135 15.4031 19.8941 7.11701 numMergedOcc 0
41 mol 100 unq 8 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 5.33144 6.45675 13.912 10.1409 11.2312 7.38135 19.8941 15.4031 7.11701 numMergedOcc 0
42 mol 100 unq 9 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1407 8.86688 14.9102 18.2109 11.2312 7.38135 15.4031 19.8941 7.79768 numMergedOcc 0
43 mol 100 unq 9 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 10.1407 8.86688 18.2109 14.9102 11.2312 7.38135 19.8941 15.4031 7.79768 numMergedOcc 0
44 mol 100 unq 8 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 5.33144 6.45675 11.8665 13.912 11.2312 7.38135 17.2419 19.8941 7.11701 numMergedOcc 0
45 mol 100 unq 8 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 5.33144 6.45675 13.912 11.8665 11.2312 7.38135 19.8941 17.2419 7.11701 numMergedOcc 0
46 mol 100 unq 9 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 10.1407 8.86688 13.6959 18.2109 11.2312 7.38135 17.2419 19.8941 7.79768 numMergedOcc 0
47 mol 100 unq 9 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 10.1407 8.86688 18.2109 13.6959 11.2312 7.38135 19.8941 17.2419 7.79768 numMergedOcc 0
48 mol 133 unq 0 iso 0 dist 9.52634 9.91388 6.69554 7.24514 7.6656 6.761 9.56949 6.5107 9.66421 12.0352 4.34568 6.66772 9.97654 7.71248 7.12976 numMergedOcc 0
49 mol 133 unq 0 iso 1 dist 9.52634 7.24514 7.6656 9.91388 6.69554 6.761 9.56949 6.5107 12.0352 9.66421 4.34568 6.66772 7.71248 9.97654 7.12976 numMergedOcc 0
50 mol 133 unq 1 iso 0 dist 7.24514 9.91388 6.761 9.52634 7.6656 6.69554 6.65743 8.22656 10.0372 13.4163 4.34568 7.71248 9.97654 6.66772 10.6025 numMergedOcc 0
51 mol 133 unq 1 iso 1 dist 7.24514 9.52634 7.6656 9.91388 6.761 6.69554 6.65743 8.22656 13.4163 10.0372 4.34568 7.71248 6.66772 9.97654 10.6025 numMergedOcc 0
52 mol 134 unq 0 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.00526 6.54501 11.9139 9.5126 9.87376 7.80532 10.5252 10.7586 7.41674 numMergedOcc 0
53 mol 134 unq 0 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.00526 6.54501 9.5126 11.9139 9.87376 7.80532 10.7586 10.5252 7.41674 numMergedOcc 0
54 mol 156 unq 0 iso 0 dist 8.94056 7.44554 5.56175 9.83699 11.2719 8.38403 10.1658 7.66148 12.0598 15.1382 5.4555 7.90267 9.44367 10.3379 6.03934 numMergedOcc 0
55 mol 156 unq 0 iso 1 dist 8.94056 9.83699 11.2719 7.44554 5.56175 8.38403 10.1658 7.66148 15.1382 12.0598 5.4555 7.90267 10.3379 9.44367 6.03934 numMergedOcc 0
56 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 9.15386 12.1628 5.16002 13.2049 8.03334 10.7062 14.9794 6.6251 6.2479 7.99195 12.8533 7.81713 numMergedOcc 0
57 mol 181 unq 0 iso 1 dist 9.1374 9.15386 12.1628 5.98885 8.88798 5.16002 13.2049 8.03334 14.9794 10.7062 6.6251 6.2479 12.8533 7.99195 7.81713 numMergedOcc 0
58 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.1912 9.09537 15.0228 12.9862 5.6044 9.72611 14.2254 10.428 12.9468 numMergedOcc 0
59 mol 181 unq 1 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 10.1912 9.09537 12.9862 15.0228 5.6044 9.72611 10.428 14.2254 12.9468 numMergedOcc 0
60 mol 181 unq 2 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.1912 9.09537 15.0228 12.9862 6.6251 7.99195 6.2479 12.8533 10.09 numMergedOcc 0
61 mol 181 unq 2 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 10.1912 9.09537 12.9862 15.0228 6.6251 7.99195 12.8533 6.2479 10.09 numMergedOcc 0
62 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.46176 6.96053 7.64658 4.69778 8.13497 9.95973 10.3935 8.81835 7.98231 11.6972 7.08526 8.41846 numMergedOcc 0
63 mol 259 unq 0 iso 1 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 4.69778 8.13497 10.3935 9.95973 8.81835 7.98231 7.08526 11.6972 8.41846 numMergedOcc 0
64 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 9.18903 10.4881 5.87173 4.69778 8.13497 9.95973 12.6839 8.81835 7.98231 11.6972 15.8414 8.41846 numMergedOcc 0
65 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.84554 4.86771 5.87173 4.69778 8.13497 12.6839 9.95973 8.81835 7.98231 15.8414 11.6972 8.41846 numMergedOcc 0
66 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 4.69778 8.13497 10.3935 12.6839 8.81835 7.98231 7.08526 15.8414 8.41846 numMergedOcc 0
67 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.46176 6.96053 10.5239 4.69778 8.13497 12.6839 10.3935 8.81835 7.98231 15.8414 7.08526 8.41846 numMergedOcc 0
