0 mol 9 unq 0 iso 0 dist 7.32257 6.14147 6.55811 8.50424 7.35972 6.02809 11.0167 5.43306 7.36018 9.93542 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 6.55811 6.14147 7.32257 6.02809 7.35972 8.50424 7.36018 5.43306 11.0167 9.93542 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.32257 10.5747 8.64915 8.50424 7.35972 4.98827 11.0167 5.43306 8.17347 9.93542 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 8.64915 10.5747 7.32257 4.98827 7.35972 8.50424 8.17347 5.43306 11.0167 9.93542 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 6.55811 5.06358 8.64915 6.02809 7.35972 4.98827 7.36018 5.43306 8.17347 9.93542 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 8.64915 5.06358 6.55811 4.98827 7.35972 6.02809 8.17347 5.43306 7.36018 9.93542 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 7.36018 5.06358 8.17347 6.02809 9.93542 4.98827 6.55811 5.43306 8.64915 7.35972 numMergedOcc 0
7 mol 9 unq 2 iso 1 dist 8.17347 5.06358 7.36018 4.98827 9.93542 6.02809 8.64915 5.43306 6.55811 7.35972 numMergedOcc 0
8 mol 20 unq 0 iso 0 dist 7.51452 16.5895 9.20198 10.0815 5.86181 8.96335 12.3294 6.05053 6.09764 4.74809 numMergedOcc 0
9 mol 20 unq 0 iso 1 dist 9.20198 16.5895 7.51452 8.96335 5.86181 10.0815 6.09764 6.05053 12.3294 4.74809 numMergedOcc 0
10 mol 20 unq 1 iso 0 dist 7.51452 16.5895 9.20198 13.457 6.3253 6.05944 12.3294 6.05053 6.09764 7.43882 numMergedOcc 0
11 mol 20 unq 1 iso 1 dist 9.20198 16.5895 7.51452 6.05944 6.3253 13.457 6.09764 6.05053 12.3294 7.43882 numMergedOcc 0
12 mol 20 unq 2 iso 0 dist 7.51452 16.5895 9.20198 11.3821 5.80568 7.46656 12.3294 6.05053 6.09764 7.31198 numMergedOcc 0
13 mol 20 unq 2 iso 1 dist 9.20198 16.5895 7.51452 7.46656 5.80568 11.3821 6.09764 6.05053 12.3294 7.31198 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 11.3566 9.92026 12.2059 5.95834 numMergedOcc 0
15 mol 24 unq 0 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 12.2059 9.92026 11.3566 5.95834 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 9.83002 6.16544 9.01567 4.2121 numMergedOcc 0
17 mol 24 unq 1 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 9.01567 6.16544 9.83002 4.2121 numMergedOcc 0
18 mol 24 unq 2 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 16.8439 10.2653 7.33768 8.00171 numMergedOcc 0
19 mol 24 unq 2 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 7.33768 10.2653 16.8439 8.00171 numMergedOcc 0
20 mol 24 unq 3 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 11.3566 9.92026 17.592 5.95834 numMergedOcc 0
21 mol 24 unq 3 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 17.592 9.92026 11.3566 5.95834 numMergedOcc 0
22 mol 24 unq 4 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 9.83002 6.16544 13.4393 4.2121 numMergedOcc 0
23 mol 24 unq 4 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 13.4393 6.16544 9.83002 4.2121 numMergedOcc 0
24 mol 24 unq 5 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 16.8439 10.2653 12.9284 8.00171 numMergedOcc 0
25 mol 24 unq 5 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 12.9284 10.2653 16.8439 8.00171 numMergedOcc 0
26 mol 24 unq 3 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 12.2059 9.92026 17.592 5.95834 numMergedOcc 0
27 mol 24 unq 3 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 17.592 9.92026 12.2059 5.95834 numMergedOcc 0
28 mol 24 unq 4 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 9.01567 6.16544 13.4393 4.2121 numMergedOcc 0
29 mol 24 unq 4 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 13.4393 6.16544 9.01567 4.2121 numMergedOcc 0
30 mol 24 unq 5 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 7.33768 10.2653 12.9284 8.00171 numMergedOcc 0
31 mol 24 unq 5 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 12.9284 10.2653 7.33768 8.00171 numMergedOcc 0
32 mol 25 unq 0 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 13.8469 12.6805 9.01548 8.88938 numMergedOcc 0
33 mol 25 unq 0 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 9.01548 12.6805 13.8469 8.88938 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 7.01812 5.88134 8.30845 10.6848 9.5057 15.3454 10.4538 5.59227 13.2184 5.75014 numMergedOcc 0
35 mol 100 unq 0 iso 1 dist 8.30845 5.88134 7.01812 15.3454 9.5057 10.6848 13.2184 5.59227 10.4538 5.75014 numMergedOcc 0
36 mol 125 unq 0 iso 0 dist 8.76789 5.20403 7.73435 6.40824 6.11502 9.20086 9.08382 4.38093 9.3778 6.33431 numMergedOcc 0
37 mol 125 unq 0 iso 1 dist 7.73435 5.20403 8.76789 9.20086 6.11502 6.40824 9.3778 4.38093 9.08382 6.33431 numMergedOcc 0
38 mol 125 unq 1 iso 0 dist 9.08382 5.20403 9.3778 6.40824 6.33431 9.20086 8.76789 4.38093 7.73435 6.11502 numMergedOcc 0
39 mol 125 unq 1 iso 1 dist 9.3778 5.20403 9.08382 9.20086 6.33431 6.40824 7.73435 4.38093 8.76789 6.11502 numMergedOcc 0
40 mol 125 unq 2 iso 0 dist 9.08382 9.34412 7.47069 6.40824 6.33431 9.44075 8.76789 4.38093 11.1764 6.11502 numMergedOcc 0
41 mol 125 unq 2 iso 1 dist 7.47069 9.34412 9.08382 9.44075 6.33431 6.40824 11.1764 4.38093 8.76789 6.11502 numMergedOcc 0
42 mol 125 unq 2 iso 0 dist 9.3778 11.8325 7.47069 9.20086 6.33431 9.44075 7.73435 4.38093 11.1764 6.11502 numMergedOcc 0
43 mol 125 unq 2 iso 1 dist 7.47069 11.8325 9.3778 9.44075 6.33431 9.20086 11.1764 4.38093 7.73435 6.11502 numMergedOcc 0
44 mol 141 unq 0 iso 0 dist 9.97343 11.4307 9.70413 9.74444 9.10042 10.3716 18.8624 12.8394 15.4264 9.83945 numMergedOcc 0
45 mol 141 unq 0 iso 1 dist 9.70413 11.4307 9.97343 10.3716 9.10042 9.74444 15.4264 12.8394 18.8624 9.83945 numMergedOcc 0
46 mol 141 unq 1 iso 0 dist 9.97343 11.4307 9.70413 9.74444 9.10042 10.3716 13.5519 6.59975 11.7346 6.75376 numMergedOcc 0
47 mol 141 unq 1 iso 1 dist 9.70413 11.4307 9.97343 10.3716 9.10042 9.74444 11.7346 6.59975 13.5519 6.75376 numMergedOcc 0
48 mol 171 unq 0 iso 0 dist 6.64834 4.91149 5.93786 6.45673 7.22518 5.48551 9.85653 3.98338 8.1344 7.58499 numMergedOcc 0
49 mol 171 unq 0 iso 1 dist 5.93786 4.91149 6.64834 5.48551 7.22518 6.45673 8.1344 3.98338 9.85653 7.58499 numMergedOcc 0
50 mol 171 unq 1 iso 0 dist 6.64834 4.91149 5.93786 4.78075 5.25109 7.9651 9.85653 3.98338 8.1344 8.21618 numMergedOcc 0
51 mol 171 unq 1 iso 1 dist 5.93786 4.91149 6.64834 7.9651 5.25109 4.78075 8.1344 3.98338 9.85653 8.21618 numMergedOcc 0
52 mol 171 unq 2 iso 0 dist 6.64834 11.6409 8.24693 6.45673 7.22518 8.05069 9.85653 3.98338 6.71356 7.58499 numMergedOcc 0
53 mol 171 unq 2 iso 1 dist 8.24693 11.6409 6.64834 8.05069 7.22518 6.45673 6.71356 3.98338 9.85653 7.58499 numMergedOcc 0
54 mol 171 unq 3 iso 0 dist 6.64834 11.6409 8.24693 4.78075 5.25109 12.6853 9.85653 3.98338 6.71356 8.21618 numMergedOcc 0
55 mol 171 unq 3 iso 1 dist 8.24693 11.6409 6.64834 12.6853 5.25109 4.78075 6.71356 3.98338 9.85653 8.21618 numMergedOcc 0
56 mol 171 unq 4 iso 0 dist 6.64834 5.51687 7.36698 6.45673 7.22518 11.2785 9.85653 3.98338 11.3469 7.58499 numMergedOcc 0
57 mol 171 unq 4 iso 1 dist 7.36698 5.51687 6.64834 11.2785 7.22518 6.45673 11.3469 3.98338 9.85653 7.58499 numMergedOcc 0
58 mol 171 unq 5 iso 0 dist 6.64834 5.51687 7.36698 4.78075 5.25109 5.90026 9.85653 3.98338 11.3469 8.21618 numMergedOcc 0
59 mol 171 unq 5 iso 1 dist 7.36698 5.51687 6.64834 5.90026 5.25109 4.78075 11.3469 3.98338 9.85653 8.21618 numMergedOcc 0
60 mol 171 unq 2 iso 0 dist 5.93786 7.31409 8.24693 5.48551 7.22518 8.05069 8.1344 3.98338 6.71356 7.58499 numMergedOcc 0
61 mol 171 unq 2 iso 1 dist 8.24693 7.31409 5.93786 8.05069 7.22518 5.48551 6.71356 3.98338 8.1344 7.58499 numMergedOcc 0
62 mol 171 unq 3 iso 0 dist 5.93786 7.31409 8.24693 7.9651 5.25109 12.6853 8.1344 3.98338 6.71356 8.21618 numMergedOcc 0
63 mol 171 unq 3 iso 1 dist 8.24693 7.31409 5.93786 12.6853 5.25109 7.9651 6.71356 3.98338 8.1344 8.21618 numMergedOcc 0
64 mol 171 unq 4 iso 0 dist 5.93786 8.07119 7.36698 5.48551 7.22518 11.2785 8.1344 3.98338 11.3469 7.58499 numMergedOcc 0
65 mol 171 unq 4 iso 1 dist 7.36698 8.07119 5.93786 11.2785 7.22518 5.48551 11.3469 3.98338 8.1344 7.58499 numMergedOcc 0
66 mol 171 unq 5 iso 0 dist 5.93786 8.07119 7.36698 7.9651 5.25109 5.90026 8.1344 3.98338 11.3469 8.21618 numMergedOcc 0
67 mol 171 unq 5 iso 1 dist 7.36698 8.07119 5.93786 5.90026 5.25109 7.9651 11.3469 3.98338 8.1344 8.21618 numMergedOcc 0
68 mol 171 unq 4 iso 0 dist 8.24693 14.1033 7.36698 8.05069 7.22518 11.2785 6.71356 3.98338 11.3469 7.58499 numMergedOcc 0
69 mol 171 unq 4 iso 1 dist 7.36698 14.1033 8.24693 11.2785 7.22518 8.05069 11.3469 3.98338 6.71356 7.58499 numMergedOcc 0
70 mol 171 unq 5 iso 0 dist 8.24693 14.1033 7.36698 12.6853 5.25109 5.90026 6.71356 3.98338 11.3469 8.21618 numMergedOcc 0
71 mol 171 unq 5 iso 1 dist 7.36698 14.1033 8.24693 5.90026 5.25109 12.6853 11.3469 3.98338 6.71356 8.21618 numMergedOcc 0
72 mol 171 unq 6 iso 0 dist 8.1344 7.31409 6.71356 5.48551 7.58499 8.05069 5.93786 3.98338 8.24693 7.22518 numMergedOcc 0
73 mol 171 unq 6 iso 1 dist 6.71356 7.31409 8.1344 8.05069 7.58499 5.48551 8.24693 3.98338 5.93786 7.22518 numMergedOcc 0
74 mol 171 unq 7 iso 0 dist 8.1344 7.31409 6.71356 7.9651 8.21618 12.6853 5.93786 3.98338 8.24693 5.25109 numMergedOcc 0
75 mol 171 unq 7 iso 1 dist 6.71356 7.31409 8.1344 12.6853 8.21618 7.9651 8.24693 3.98338 5.93786 5.25109 numMergedOcc 0
76 mol 181 unq 0 iso 0 dist 6.2479 6.01247 6.22122 8.04639 8.86197 13.0409 12.8648 11.5564 16.6729 5.94379 numMergedOcc 0
77 mol 181 unq 0 iso 1 dist 6.22122 6.01247 6.2479 13.0409 8.86197 8.04639 16.6729 11.5564 12.8648 5.94379 numMergedOcc 0
78 mol 181 unq 1 iso 0 dist 6.2479 8.88798 7.99195 8.04639 8.86197 5.77299 12.8648 11.5564 9.85106 5.94379 numMergedOcc 0
79 mol 181 unq 1 iso 1 dist 7.99195 8.88798 6.2479 5.77299 8.86197 8.04639 9.85106 11.5564 12.8648 5.94379 numMergedOcc 0
80 mol 181 unq 1 iso 0 dist 6.22122 12.6324 7.99195 13.0409 8.86197 5.77299 16.6729 11.5564 9.85106 5.94379 numMergedOcc 0
81 mol 181 unq 1 iso 1 dist 7.99195 12.6324 6.22122 5.77299 8.86197 13.0409 9.85106 11.5564 16.6729 5.94379 numMergedOcc 0
82 mol 196 unq 0 iso 0 dist 6.70531 10.2747 6.86319 4.54749 7.21349 10.645 12.1861 15.4429 14.7256 9.62455 numMergedOcc 0
83 mol 196 unq 0 iso 1 dist 6.86319 10.2747 6.70531 10.645 7.21349 4.54749 14.7256 15.4429 12.1861 9.62455 numMergedOcc 0
