0 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 6.119 5.55437 10.7921 8.50424 8.076 7.35972 7.28672 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.78006 9.62394 7.28672 11.0722 5.55437 8.076 16.147 10.7921 7.35972 8.88528 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 9.78006 9.62394 7.28672 11.0722 5.55437 8.076 19.4709 14.8012 9.93542 14.0736 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 7.9944 6.55811 4.58685 10.4817 5.38458 9.17615 6.02809 6.32226 7.35972 5.60208 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 7.9944 7.36018 5.83039 10.4817 5.38458 10.7794 6.02809 6.32226 9.93542 5.60208 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 7.032 8.64915 4.58685 7.51034 5.38458 9.17615 4.98827 6.32226 7.35972 5.60208 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 7.032 8.17347 5.83039 7.51034 5.38458 10.7794 4.98827 6.32226 9.93542 5.60208 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 10.3648 7.69625 17.0794 4.97119 6.39966 9.95212 7.71716 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 6.58998 9.38831 11.5841 4.32034 9.69752 8.00171 10.025 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 6.58998 9.38831 11.5841 12.2662 16.6617 5.95834 13.0149 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 6.60423 9.41441 11.9395 6.58998 9.38831 11.5841 8.67951 12.7806 4.2121 9.14963 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 6.60423 9.41441 11.9395 6.58998 9.38831 11.5841 8.52463 9.36461 6.72323 6.99746 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 6.72502 8.60554 6.99746 11.2106 9.40479 4.90592 14.012 11.5841 6.72323 10.0715 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 6.72502 8.60554 6.99746 5.97304 9.38831 9.36461 14.012 11.5841 6.72323 11.9395 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 4.93188 6.73939 10.0715 9.48345 9.40479 11.5841 6.56748 11.4664 5.95834 13.0149 numMergedOcc 0
15 mol 24 unq 7 iso 0 dist 4.93188 6.73939 10.0715 9.48345 9.40479 11.5841 4.50066 8.78859 4.2121 9.14963 numMergedOcc 0
16 mol 24 unq 8 iso 0 dist 4.93188 6.73939 10.0715 9.48345 9.40479 11.5841 11.9112 14.7684 8.00171 10.025 numMergedOcc 0
17 mol 24 unq 9 iso 0 dist 4.93188 6.73939 10.0715 9.48345 9.40479 11.5841 5.11617 4.90592 6.72323 6.99746 numMergedOcc 0
18 mol 24 unq 10 iso 0 dist 4.93188 6.73939 10.0715 14.4162 9.58012 18.2994 6.56748 11.4664 5.95834 20.8655 numMergedOcc 0
19 mol 24 unq 11 iso 0 dist 4.93188 6.73939 10.0715 14.4162 9.58012 18.2994 4.50066 8.78859 4.2121 17.5998 numMergedOcc 0
20 mol 24 unq 12 iso 0 dist 4.93188 6.73939 10.0715 14.4162 9.58012 18.2994 11.9112 14.7684 8.00171 21.318 numMergedOcc 0
21 mol 24 unq 13 iso 0 dist 4.93188 6.73939 10.0715 14.4162 9.58012 18.2994 5.11617 4.90592 6.72323 11.8996 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 12.1157 8.03028 12.8873 14.3301 10.9559 9.91054 13.3326 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 8.65802 7.52354 5.8102 7.23437 7.39754 8.29345 14.3301 10.9559 9.91054 9.01596 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 10.7735 7.63183 15.0563 4.67519 6.62972 7.14031 9.50457 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 5.74854 7.5242 8.53212 13.1711 7.63183 15.0563 10.4027 6.62972 7.14031 9.50457 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 8.24418 8.26172 11.5185 9.74444 12.165 9.10042 13.7139 numMergedOcc 0
27 mol 141 unq 1 iso 0 dist 7.86572 9.97343 5.38571 8.24418 8.26172 11.5185 6.91919 10.7655 9.75059 9.74861 numMergedOcc 0
28 mol 141 unq 2 iso 0 dist 7.86572 9.97343 5.38571 8.24418 8.26172 11.5185 10.1432 4.46777 6.83404 6.52248 numMergedOcc 0
29 mol 156 unq 0 iso 0 dist 7.73169 7.30357 8.40261 5.82636 4.9941 10.6589 5.81563 12.9107 8.21184 11.6326 numMergedOcc 0
30 mol 156 unq 1 iso 0 dist 7.73169 7.30357 8.40261 5.82636 4.9941 10.6589 5.52796 10.6978 5.41575 10.583 numMergedOcc 0
31 mol 156 unq 2 iso 0 dist 7.73169 8.61587 12.8796 5.82636 4.9941 13.5954 5.81563 12.9107 5.9976 11.6326 numMergedOcc 0
32 mol 156 unq 3 iso 0 dist 7.73169 8.61587 12.8796 5.82636 4.9941 13.5954 5.52796 10.6978 6.86566 10.583 numMergedOcc 0
33 mol 156 unq 4 iso 0 dist 5.38091 7.30357 12.4049 6.44255 5.90883 13.0899 5.81563 7.46845 8.21184 11.3995 numMergedOcc 0
34 mol 156 unq 5 iso 0 dist 5.38091 7.30357 12.4049 6.44255 5.90883 13.0899 5.52796 9.59889 5.41575 11.2781 numMergedOcc 0
35 mol 156 unq 6 iso 0 dist 5.38091 7.30357 12.4049 5.82636 8.06913 10.6589 5.81563 7.46845 8.21184 11.6326 numMergedOcc 0
36 mol 156 unq 7 iso 0 dist 5.38091 7.30357 12.4049 5.82636 8.06913 10.6589 5.52796 9.59889 5.41575 10.583 numMergedOcc 0
37 mol 156 unq 8 iso 0 dist 5.38091 8.61587 11.7015 6.44255 5.90883 14.9434 5.81563 7.46845 5.9976 11.3995 numMergedOcc 0
38 mol 156 unq 9 iso 0 dist 5.38091 8.61587 11.7015 6.44255 5.90883 14.9434 5.52796 9.59889 6.86566 11.2781 numMergedOcc 0
39 mol 156 unq 10 iso 0 dist 5.38091 8.61587 11.7015 5.82636 8.06913 13.5954 5.81563 7.46845 5.9976 11.6326 numMergedOcc 0
40 mol 156 unq 11 iso 0 dist 5.38091 8.61587 11.7015 5.82636 8.06913 13.5954 5.52796 9.59889 6.86566 10.583 numMergedOcc 0
41 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 4.44751 7.82546 7.32555 5.48551 10.352 7.22518 9.8515 numMergedOcc 0
42 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 4.44751 7.82546 7.32555 7.9651 11.4752 5.25109 9.54524 numMergedOcc 0
43 mol 171 unq 2 iso 0 dist 7.71426 8.1344 5.90358 4.44751 7.82546 10.3097 5.48551 10.352 7.58499 9.8515 numMergedOcc 0
44 mol 171 unq 3 iso 0 dist 7.71426 8.1344 5.90358 4.44751 7.82546 10.3097 7.9651 11.4752 8.21618 9.54524 numMergedOcc 0
45 mol 171 unq 4 iso 0 dist 5.10618 8.24693 6.29877 9.61561 7.82546 7.32555 8.05069 10.352 7.22518 9.8515 numMergedOcc 0
46 mol 171 unq 5 iso 0 dist 5.10618 8.24693 6.29877 9.61561 7.82546 7.32555 12.6853 11.4752 5.25109 9.54524 numMergedOcc 0
47 mol 171 unq 6 iso 0 dist 5.10618 6.71356 5.90358 9.61561 7.82546 10.3097 8.05069 10.352 7.58499 9.8515 numMergedOcc 0
48 mol 171 unq 7 iso 0 dist 5.10618 6.71356 5.90358 9.61561 7.82546 10.3097 12.6853 11.4752 8.21618 9.54524 numMergedOcc 0
49 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 6.66155 5.52678 6.37788 11.6598 5.68348 6.1886 8.43261 numMergedOcc 0
50 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 5.4499 9.81666 8.7028 11.6598 5.68348 6.1886 13.8424 numMergedOcc 0
51 mol 194 unq 2 iso 0 dist 8.83356 6.72379 7.50057 13.0333 5.52678 12.6186 7.11753 5.68348 6.38324 8.43261 numMergedOcc 0
52 mol 194 unq 3 iso 0 dist 8.83356 6.72379 7.50057 18.6469 9.81666 15.8032 7.11753 5.68348 6.38324 13.8424 numMergedOcc 0
53 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 5.72331 9.81305 10.5789 5.5163 11.4177 6.94789 8.15987 numMergedOcc 0
54 mol 235 unq 1 iso 0 dist 6.39158 6.36341 7.85398 8.33772 6.89118 10.4925 5.5163 11.4177 6.94789 12.5705 numMergedOcc 0
55 mol 238 unq 0 iso 0 dist 6.66971 8.69104 10.2777 10.7508 9.89583 18.559 8.1195 13.0636 5.92374 18.6884 numMergedOcc 0
