0 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
1 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
2 mol 9 unq 2 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
3 mol 9 unq 3 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
4 mol 9 unq 4 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
5 mol 9 unq 5 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
6 mol 20 unq 0 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
7 mol 20 unq 1 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
8 mol 20 unq 2 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
9 mol 24 unq 0 iso 0 dist 8.70827 6.73939 15.0804 12.3067 9.12854 18.673 6.56748 11.9138 5.95834 18.1606 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.70827 6.73939 15.0804 12.3067 9.12854 18.673 4.50066 11.8282 4.2121 16.0443 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 8.70827 6.73939 15.0804 12.3067 9.12854 18.673 11.9112 18.9552 8.00171 21.6951 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 8.70827 6.73939 15.0804 12.3067 9.12854 18.673 5.11617 12.8389 6.72323 13.2229 numMergedOcc 0
13 mol 24 unq 4 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
14 mol 24 unq 5 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
15 mol 24 unq 6 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
16 mol 24 unq 7 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
17 mol 24 unq 8 iso 0 dist 8.75662 8.4051 9.62033 14.6259 9.44691 8.60554 12.176 15.7523 6.72323 14.012 numMergedOcc 0
18 mol 24 unq 9 iso 0 dist 9.44691 8.60554 9.62033 14.6259 8.75662 8.4051 14.012 15.7523 6.72323 12.176 numMergedOcc 0
19 mol 25 unq 0 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
20 mol 25 unq 1 iso 0 dist 7.92503 6.16347 12.7398 10.6808 8.6653 16.0183 6.08585 11.4912 6.25843 16.3984 numMergedOcc 0
21 mol 65 unq 0 iso 0 dist 9.34791 6.72639 5.56801 14.4691 7.90294 11.5413 5.51708 10.909 5.94206 15.3084 numMergedOcc 0
22 mol 65 unq 1 iso 0 dist 9.34791 6.72639 5.56801 5.48814 8.22785 6.76508 5.51708 10.909 5.94206 6.47381 numMergedOcc 0
23 mol 65 unq 2 iso 0 dist 8.22785 6.76508 5.56801 10.2941 7.90294 11.5413 6.47381 10.909 5.94206 15.3084 numMergedOcc 0
24 mol 65 unq 3 iso 0 dist 8.22785 6.76508 5.56801 5.48814 9.34791 6.72639 6.47381 10.909 5.94206 5.51708 numMergedOcc 0
25 mol 92 unq 0 iso 0 dist 8.18107 5.9465 9.38827 5.04493 9.8859 6.97962 8.70803 15.4529 6.77241 8.87994 numMergedOcc 0
26 mol 92 unq 1 iso 0 dist 8.18107 5.9465 9.38827 5.04493 9.8859 6.97962 9.52327 13.7988 5.50508 11.641 numMergedOcc 0
27 mol 92 unq 2 iso 0 dist 9.8859 6.97962 9.38827 5.04493 8.18107 5.9465 8.87994 15.4529 6.77241 8.70803 numMergedOcc 0
28 mol 92 unq 3 iso 0 dist 9.8859 6.97962 9.38827 5.04493 8.18107 5.9465 11.641 13.7988 5.50508 9.52327 numMergedOcc 0
29 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
30 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
31 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
32 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
33 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
34 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
35 mol 156 unq 0 iso 0 dist 9.47433 9.44367 16.7026 5.76755 6.30021 13.5699 5.71511 14.1424 8.37434 8.63358 numMergedOcc 0
36 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
37 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
38 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
39 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
40 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
41 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
42 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
43 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
44 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
45 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
46 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
47 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
48 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
49 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
50 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
51 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
52 mol 181 unq 0 iso 0 dist 7.99195 9.72611 12.1167 8.88798 6.2479 14.2254 12.7358 17.8426 7.22883 19.8145 numMergedOcc 0
53 mol 181 unq 1 iso 0 dist 7.99195 9.72611 12.1167 12.6324 6.22122 14.6449 12.7358 17.8426 7.22883 21.4012 numMergedOcc 0
54 mol 181 unq 2 iso 0 dist 6.41453 5.9176 9.53592 8.85576 9.39829 10.4943 6.29863 11.8112 7.22883 14.4964 numMergedOcc 0
55 mol 235 unq 0 iso 0 dist 6.95126 6.21292 10.2834 9.89669 9.55668 16.0017 7.77516 10.7602 6.94789 14.7526 numMergedOcc 0
56 mol 238 unq 0 iso 0 dist 7.57812 8.69104 6.25098 10.0191 9.24557 12.9364 8.1195 10.6756 5.92374 15.0391 numMergedOcc 0
57 mol 274 unq 0 iso 0 dist 9.45514 6.39866 10.7637 10.501 7.46394 10.672 6.16703 10.6742 6.88827 7.03211 numMergedOcc 0
58 mol 274 unq 1 iso 0 dist 9.45514 6.39866 10.7637 10.501 7.46394 10.672 5.64601 10.083 9.16942 14.3613 numMergedOcc 0
59 mol 274 unq 2 iso 0 dist 9.45514 6.39866 10.7637 11.7196 8.91672 16.422 6.16703 10.6742 6.88827 15.4895 numMergedOcc 0
60 mol 274 unq 3 iso 0 dist 9.45514 6.39866 10.7637 11.7196 8.91672 16.422 5.64601 10.083 9.16942 10.0554 numMergedOcc 0
61 mol 274 unq 4 iso 0 dist 9.45514 6.39866 10.7637 6.828 7.1729 10.6913 6.16703 10.6742 6.88827 6.40141 numMergedOcc 0
62 mol 274 unq 5 iso 0 dist 9.45514 6.39866 10.7637 6.828 7.1729 10.6913 5.64601 10.083 9.16942 10.5941 numMergedOcc 0
63 mol 274 unq 6 iso 0 dist 6.39866 9.45514 10.7637 11.3308 8.52587 15.461 6.52035 12.0228 7.75216 16.4558 numMergedOcc 0
