0 mol 7 unq 0 iso 0 dist 6.7985 6.44736 6.14349 9.0379 9.68596 10.7018 8.43473 6.14469 9.97009 5.03847 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.55811 7.36018 5.43306 6.14147 7.32257 11.0167 6.02809 7.35972 9.93542 8.50424 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.55811 7.36018 5.43306 5.06358 8.64915 8.17347 6.02809 7.35972 9.93542 4.98827 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 6.55811 8.48677 6.17866 6.14147 7.32257 10.0547 6.02809 7.35972 12.3519 8.50424 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 6.55811 8.48677 6.17866 5.06358 8.64915 11.3467 6.02809 7.35972 12.3519 4.98827 numMergedOcc 0
5 mol 9 unq 4 iso 0 dist 8.64915 8.17347 5.43306 10.5747 7.32257 11.0167 4.98827 7.35972 9.93542 8.50424 numMergedOcc 0
6 mol 9 unq 5 iso 0 dist 8.64915 8.17347 5.43306 5.06358 6.55811 7.36018 4.98827 7.35972 9.93542 6.02809 numMergedOcc 0
7 mol 9 unq 6 iso 0 dist 8.64915 7.83133 11.3401 10.5747 7.32257 15.8978 4.98827 7.35972 11.9655 8.50424 numMergedOcc 0
8 mol 9 unq 7 iso 0 dist 8.64915 7.83133 11.3401 5.06358 6.55811 10.2602 4.98827 7.35972 11.9655 6.02809 numMergedOcc 0
9 mol 9 unq 8 iso 0 dist 7.36018 6.55811 5.43306 5.06358 8.17347 8.64915 6.02809 9.93542 7.35972 4.98827 numMergedOcc 0
10 mol 9 unq 9 iso 0 dist 7.36018 8.48677 4.41171 5.06358 8.17347 11.3467 6.02809 9.93542 12.3519 4.98827 numMergedOcc 0
11 mol 9 unq 10 iso 0 dist 8.17347 8.64915 5.43306 5.06358 7.36018 6.55811 4.98827 9.93542 7.35972 6.02809 numMergedOcc 0
12 mol 9 unq 11 iso 0 dist 8.17347 7.83133 6.8386 5.06358 7.36018 10.2602 4.98827 9.93542 11.9655 6.02809 numMergedOcc 0
13 mol 20 unq 0 iso 0 dist 7.51452 6.03547 6.92904 16.5895 9.20198 15.139 10.0815 5.86181 11.6953 8.96335 numMergedOcc 0
14 mol 20 unq 1 iso 0 dist 7.51452 6.03547 6.92904 16.5895 9.20198 15.139 13.457 6.3253 10.6446 6.05944 numMergedOcc 0
15 mol 20 unq 2 iso 0 dist 7.51452 6.03547 6.92904 16.5895 9.20198 15.139 11.3821 5.80568 10.0032 7.46656 numMergedOcc 0
16 mol 20 unq 3 iso 0 dist 9.20198 6.09764 6.05053 16.5895 7.51452 12.3294 8.96335 5.86181 4.74809 10.0815 numMergedOcc 0
17 mol 20 unq 4 iso 0 dist 9.20198 6.09764 6.05053 16.5895 7.51452 12.3294 6.05944 6.3253 7.43882 13.457 numMergedOcc 0
18 mol 20 unq 5 iso 0 dist 9.20198 6.09764 6.05053 16.5895 7.51452 12.3294 7.46656 5.80568 7.31198 11.3821 numMergedOcc 0
19 mol 24 unq 0 iso 0 dist 6.73939 8.70827 15.0804 11.4989 9.41441 18.2647 6.56748 5.95834 11.9138 12.2662 numMergedOcc 0
20 mol 24 unq 1 iso 0 dist 6.73939 8.70827 15.0804 11.4989 9.41441 18.2647 4.50066 4.2121 11.8282 8.67951 numMergedOcc 0
21 mol 24 unq 2 iso 0 dist 6.73939 8.70827 15.0804 11.4989 9.41441 18.2647 11.9112 8.00171 18.9552 4.32034 numMergedOcc 0
22 mol 24 unq 3 iso 0 dist 6.73939 8.70827 15.0804 11.4989 9.41441 18.2647 5.11617 6.72323 12.8389 8.52463 numMergedOcc 0
23 mol 24 unq 4 iso 0 dist 8.4051 8.23446 14.1082 15.5315 7.29868 20.9738 12.176 6.72323 19.0465 6.66749 numMergedOcc 0
24 mol 24 unq 5 iso 0 dist 8.4051 8.23446 14.1082 14.6259 8.60554 17.6854 12.176 6.72323 19.0465 14.012 numMergedOcc 0
25 mol 24 unq 6 iso 0 dist 8.4051 8.75662 9.62033 15.5315 7.29868 15.8209 12.176 6.72323 15.7523 6.66749 numMergedOcc 0
26 mol 24 unq 7 iso 0 dist 8.4051 8.75662 9.62033 14.6259 8.60554 9.44691 12.176 6.72323 15.7523 14.012 numMergedOcc 0
27 mol 24 unq 8 iso 0 dist 7.29868 7.33768 10.2653 15.5315 8.4051 16.8439 6.66749 6.72323 8.00171 12.176 numMergedOcc 0
28 mol 24 unq 9 iso 0 dist 7.29868 7.33768 10.2653 10.0952 8.60554 12.9284 6.66749 6.72323 8.00171 14.012 numMergedOcc 0
29 mol 24 unq 10 iso 0 dist 7.29868 9.01567 6.16544 15.5315 8.4051 9.83002 6.66749 6.72323 4.2121 12.176 numMergedOcc 0
30 mol 24 unq 11 iso 0 dist 7.29868 9.01567 6.16544 10.0952 8.60554 13.4393 6.66749 6.72323 4.2121 14.012 numMergedOcc 0
31 mol 24 unq 12 iso 0 dist 8.60554 8.44664 14.1496 14.6259 8.4051 17.8725 14.012 6.72323 18.7793 12.176 numMergedOcc 0
32 mol 24 unq 13 iso 0 dist 8.60554 8.44664 14.1496 10.0952 7.29868 16.1126 14.012 6.72323 18.7793 6.66749 numMergedOcc 0
33 mol 24 unq 14 iso 0 dist 8.60554 9.44691 9.62033 14.6259 8.4051 8.75662 14.012 6.72323 15.7523 12.176 numMergedOcc 0
34 mol 24 unq 15 iso 0 dist 8.60554 9.44691 9.62033 10.0952 7.29868 15.8209 14.012 6.72323 15.7523 6.66749 numMergedOcc 0
35 mol 25 unq 0 iso 0 dist 6.16347 7.92503 12.7398 10.9391 7.45383 16.8925 6.08585 6.25843 11.4912 5.77929 numMergedOcc 0
36 mol 25 unq 1 iso 0 dist 7.45383 9.01548 12.6805 10.9391 6.16347 13.8469 5.77929 6.25843 8.88938 6.08585 numMergedOcc 0
37 mol 65 unq 0 iso 0 dist 6.72639 9.34791 5.56801 5.48814 6.76508 8.22785 5.51708 5.94206 10.909 6.47381 numMergedOcc 0
38 mol 65 unq 1 iso 0 dist 6.76508 8.22785 5.56801 5.48814 6.72639 9.34791 6.47381 5.94206 10.909 5.51708 numMergedOcc 0
39 mol 92 unq 0 iso 0 dist 5.9465 8.18107 9.38827 5.04493 6.97962 9.8859 8.70803 6.77241 15.4529 8.87994 numMergedOcc 0
40 mol 92 unq 1 iso 0 dist 5.9465 8.18107 9.38827 5.04493 6.97962 9.8859 9.52327 5.50508 13.7988 11.641 numMergedOcc 0
41 mol 92 unq 2 iso 0 dist 5.9465 8.18107 9.38827 9.35561 9.95342 16.0825 8.70803 6.77241 15.4529 7.52639 numMergedOcc 0
42 mol 92 unq 3 iso 0 dist 5.9465 8.18107 9.38827 9.35561 9.95342 16.0825 9.52327 5.50508 13.7988 7.34683 numMergedOcc 0
43 mol 92 unq 4 iso 0 dist 6.97962 9.8859 9.38827 5.04493 5.9465 8.18107 8.87994 6.77241 15.4529 8.70803 numMergedOcc 0
44 mol 92 unq 5 iso 0 dist 6.97962 9.8859 9.38827 5.04493 5.9465 8.18107 11.641 5.50508 13.7988 9.52327 numMergedOcc 0
45 mol 92 unq 6 iso 0 dist 6.97962 9.8859 9.38827 12.7769 9.95342 16.0825 8.87994 6.77241 15.4529 7.52639 numMergedOcc 0
46 mol 92 unq 7 iso 0 dist 6.97962 9.8859 9.38827 12.7769 9.95342 16.0825 11.641 5.50508 13.7988 7.34683 numMergedOcc 0
47 mol 100 unq 0 iso 0 dist 8.30845 8.76378 13.3504 5.88134 7.01812 10.0635 15.3454 9.5057 16.2173 10.6848 numMergedOcc 0
48 mol 125 unq 0 iso 0 dist 8.76789 9.08382 4.38093 5.20403 7.73435 9.3778 6.40824 6.11502 6.33431 9.20086 numMergedOcc 0
49 mol 125 unq 1 iso 0 dist 9.08382 8.76789 4.38093 5.20403 9.3778 7.73435 6.40824 6.33431 6.11502 9.20086 numMergedOcc 0
50 mol 125 unq 2 iso 0 dist 9.08382 8.76789 4.38093 9.34412 7.47069 11.1764 6.40824 6.33431 6.11502 9.44075 numMergedOcc 0
51 mol 125 unq 3 iso 0 dist 7.73435 9.3778 4.38093 5.20403 8.76789 9.08382 9.20086 6.11502 6.33431 6.40824 numMergedOcc 0
52 mol 125 unq 4 iso 0 dist 9.3778 7.73435 4.38093 5.20403 9.08382 8.76789 9.20086 6.33431 6.11502 6.40824 numMergedOcc 0
53 mol 125 unq 5 iso 0 dist 9.3778 7.73435 4.38093 11.8325 7.47069 11.1764 9.20086 6.33431 6.11502 9.44075 numMergedOcc 0
54 mol 156 unq 0 iso 0 dist 9.44367 9.47433 16.7026 5.56175 7.90267 14.7758 5.71511 8.37434 14.1424 6.13574 numMergedOcc 0
55 mol 171 unq 0 iso 0 dist 5.93786 8.1344 3.98338 4.91149 6.64834 9.85653 5.48551 7.22518 7.58499 6.45673 numMergedOcc 0
56 mol 171 unq 1 iso 0 dist 5.93786 8.1344 3.98338 4.91149 6.64834 9.85653 7.9651 5.25109 8.21618 4.78075 numMergedOcc 0
57 mol 171 unq 2 iso 0 dist 5.93786 8.1344 3.98338 7.31409 8.24693 6.71356 5.48551 7.22518 7.58499 8.05069 numMergedOcc 0
58 mol 171 unq 3 iso 0 dist 5.93786 8.1344 3.98338 7.31409 8.24693 6.71356 7.9651 5.25109 8.21618 12.6853 numMergedOcc 0
59 mol 171 unq 4 iso 0 dist 5.93786 8.1344 3.98338 8.07119 7.36698 11.3469 5.48551 7.22518 7.58499 11.2785 numMergedOcc 0
60 mol 171 unq 5 iso 0 dist 5.93786 8.1344 3.98338 8.07119 7.36698 11.3469 7.9651 5.25109 8.21618 5.90026 numMergedOcc 0
61 mol 171 unq 6 iso 0 dist 8.24693 6.71356 3.98338 11.6409 6.64834 9.85653 8.05069 7.22518 7.58499 6.45673 numMergedOcc 0
62 mol 171 unq 7 iso 0 dist 8.24693 6.71356 3.98338 11.6409 6.64834 9.85653 12.6853 5.25109 8.21618 4.78075 numMergedOcc 0
63 mol 171 unq 8 iso 0 dist 8.24693 6.71356 3.98338 7.31409 5.93786 8.1344 8.05069 7.22518 7.58499 5.48551 numMergedOcc 0
64 mol 171 unq 9 iso 0 dist 8.24693 6.71356 3.98338 7.31409 5.93786 8.1344 12.6853 5.25109 8.21618 7.9651 numMergedOcc 0
65 mol 171 unq 10 iso 0 dist 8.24693 6.71356 3.98338 14.1033 7.36698 11.3469 8.05069 7.22518 7.58499 11.2785 numMergedOcc 0
66 mol 171 unq 11 iso 0 dist 8.24693 6.71356 3.98338 14.1033 7.36698 11.3469 12.6853 5.25109 8.21618 5.90026 numMergedOcc 0
67 mol 171 unq 12 iso 0 dist 8.1344 5.93786 3.98338 7.31409 6.71356 8.24693 5.48551 7.58499 7.22518 8.05069 numMergedOcc 0
68 mol 171 unq 13 iso 0 dist 8.1344 5.93786 3.98338 7.31409 6.71356 8.24693 7.9651 8.21618 5.25109 12.6853 numMergedOcc 0
69 mol 171 unq 14 iso 0 dist 6.71356 8.24693 3.98338 7.31409 8.1344 5.93786 8.05069 7.58499 7.22518 5.48551 numMergedOcc 0
70 mol 171 unq 15 iso 0 dist 6.71356 8.24693 3.98338 7.31409 8.1344 5.93786 12.6853 8.21618 5.25109 7.9651 numMergedOcc 0
71 mol 181 unq 0 iso 0 dist 7.99195 9.72611 12.1167 8.88798 6.2479 14.2254 12.2164 7.32087 17.8851 4.43096 numMergedOcc 0
72 mol 181 unq 1 iso 0 dist 7.99195 9.72611 12.1167 8.88798 6.2479 14.2254 5.77299 8.86197 15.3124 8.04639 numMergedOcc 0
73 mol 181 unq 2 iso 0 dist 7.99195 9.72611 12.1167 12.6324 6.22122 14.6449 12.2164 7.32087 17.8851 6.06566 numMergedOcc 0
74 mol 181 unq 3 iso 0 dist 7.99195 9.72611 12.1167 12.6324 6.22122 14.6449 5.77299 8.86197 15.3124 13.0409 numMergedOcc 0
75 mol 235 unq 0 iso 0 dist 6.21292 6.95126 10.2834 8.31875 6.36341 13.9626 7.77516 6.94789 10.7602 5.5163 numMergedOcc 0
76 mol 235 unq 1 iso 0 dist 6.21292 6.95126 10.2834 4.53064 9.21736 10.076 7.77516 6.94789 10.7602 11.7254 numMergedOcc 0
77 mol 274 unq 0 iso 0 dist 9.45514 6.39866 10.7637 10.501 7.46394 10.672 6.52035 7.75216 12.0228 11.1602 numMergedOcc 0
78 mol 274 unq 1 iso 0 dist 9.45514 6.39866 10.7637 11.7196 8.91672 16.422 6.52035 7.75216 12.0228 5.58338 numMergedOcc 0
79 mol 274 unq 2 iso 0 dist 9.45514 6.39866 10.7637 6.828 7.1729 10.6913 6.52035 7.75216 12.0228 5.71192 numMergedOcc 0
80 mol 274 unq 3 iso 0 dist 6.39866 9.45514 10.7637 11.3308 8.52587 15.461 6.16703 6.88827 10.6742 6.20558 numMergedOcc 0
81 mol 274 unq 4 iso 0 dist 6.39866 9.45514 10.7637 11.3308 8.52587 15.461 5.64601 9.16942 10.083 16.3619 numMergedOcc 0
