0 mol 9 unq 0 iso 0 dist 7.9944 5.06358 7.032 6.02809 6.32226 4.98827 6.55811 4.58685 8.64915 7.35972 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 7.032 5.06358 7.9944 4.98827 6.32226 6.02809 8.64915 4.58685 6.55811 7.35972 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.9944 5.06358 7.032 6.02809 6.32226 4.98827 7.36018 5.83039 8.17347 9.93542 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 7.032 5.06358 7.9944 4.98827 6.32226 6.02809 8.17347 5.83039 7.36018 9.93542 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.48847 10.8007 6.92532 6.42867 6.39966 4.97119 15.4288 13.9675 7.75618 9.95212 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 6.92532 10.8007 7.48847 4.97119 6.39966 6.42867 7.75618 13.9675 15.4288 9.95212 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 7.48847 10.6598 6.36455 6.42867 6.39966 6.01808 15.4288 13.9675 12.3215 9.95212 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.36455 10.6598 7.48847 6.01808 6.39966 6.42867 12.3215 13.9675 15.4288 9.95212 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 6.92532 5.03957 6.36455 4.97119 6.39966 6.01808 7.75618 13.9675 12.3215 9.95212 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 6.36455 5.03957 6.92532 6.01808 6.39966 4.97119 12.3215 13.9675 7.75618 9.95212 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 6.60423 7.05502 7.83786 4.32034 9.69752 9.6469 9.41441 11.9395 16.0926 8.00171 numMergedOcc 0
11 mol 24 unq 0 iso 1 dist 7.83786 7.05502 6.60423 9.6469 9.69752 4.32034 16.0926 11.9395 9.41441 8.00171 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 6.60423 7.05502 7.83786 8.52463 9.36461 14.6654 9.41441 11.9395 16.0926 6.72323 numMergedOcc 0
13 mol 24 unq 1 iso 1 dist 7.83786 7.05502 6.60423 14.6654 9.36461 8.52463 16.0926 11.9395 9.41441 6.72323 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 4.93188 12.3067 9.24958 5.11617 4.90592 13.2229 6.73939 10.0715 18.673 6.72323 numMergedOcc 0
15 mol 24 unq 2 iso 1 dist 9.24958 12.3067 4.93188 13.2229 4.90592 5.11617 18.673 10.0715 6.73939 6.72323 numMergedOcc 0
16 mol 60 unq 0 iso 0 dist 9.96399 7.29309 7.55695 11.2415 4.65127 5.94827 10.5084 4.82351 9.90939 8.97364 numMergedOcc 0
17 mol 60 unq 0 iso 1 dist 7.55695 7.29309 9.96399 5.94827 4.65127 11.2415 9.90939 4.82351 10.5084 8.97364 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 9.96399 12.2509 8.82176 11.2415 4.65127 5.32257 10.5084 4.82351 11.6165 8.97364 numMergedOcc 0
19 mol 60 unq 1 iso 1 dist 8.82176 12.2509 9.96399 5.32257 4.65127 11.2415 11.6165 4.82351 10.5084 8.97364 numMergedOcc 0
20 mol 60 unq 1 iso 0 dist 7.55695 5.00018 8.82176 5.94827 4.65127 5.32257 9.90939 4.82351 11.6165 8.97364 numMergedOcc 0
21 mol 60 unq 1 iso 1 dist 8.82176 5.00018 7.55695 5.32257 4.65127 5.94827 11.6165 4.82351 9.90939 8.97364 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 7.04044 5.4148 8.73253 5.11416 6.48232 6.56633 12.1382 7.86177 10.2755 8.87464 numMergedOcc 0
23 mol 73 unq 0 iso 1 dist 8.73253 5.4148 7.04044 6.56633 6.48232 5.11416 10.2755 7.86177 12.1382 8.87464 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 8.00777 4.26409 7.1589 11.165 8.70863 9.29301 15.6553 8.31077 14.4725 9.66222 numMergedOcc 0
25 mol 85 unq 0 iso 1 dist 7.1589 4.26409 8.00777 9.29301 8.70863 11.165 14.4725 8.31077 15.6553 9.66222 numMergedOcc 0
26 mol 98 unq 0 iso 0 dist 5.88354 4.50554 7.89665 4.67519 6.62972 6.6076 5.59328 8.53212 10.0186 7.14031 numMergedOcc 0
27 mol 98 unq 0 iso 1 dist 7.89665 4.50554 5.88354 6.6076 6.62972 4.67519 10.0186 8.53212 5.59328 7.14031 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 5.88354 7.40461 5.39354 4.67519 6.62972 10.6513 5.59328 8.53212 10.3766 7.14031 numMergedOcc 0
29 mol 98 unq 1 iso 1 dist 5.39354 7.40461 5.88354 10.6513 6.62972 4.67519 10.3766 8.53212 5.59328 7.14031 numMergedOcc 0
30 mol 98 unq 2 iso 0 dist 5.88354 7.72877 5.74854 4.67519 6.62972 10.4027 5.59328 8.53212 7.5242 7.14031 numMergedOcc 0
31 mol 98 unq 2 iso 1 dist 5.74854 7.72877 5.88354 10.4027 6.62972 4.67519 7.5242 8.53212 5.59328 7.14031 numMergedOcc 0
32 mol 98 unq 3 iso 0 dist 5.88354 10.51 8.76566 4.67519 6.62972 12.3568 5.59328 8.53212 15.4911 7.14031 numMergedOcc 0
33 mol 98 unq 3 iso 1 dist 8.76566 10.51 5.88354 12.3568 6.62972 4.67519 15.4911 8.53212 5.59328 7.14031 numMergedOcc 0
34 mol 98 unq 4 iso 0 dist 5.88354 13.5683 8.8368 4.67519 6.62972 14.5457 5.59328 8.53212 17.0991 7.14031 numMergedOcc 0
35 mol 98 unq 4 iso 1 dist 8.8368 13.5683 5.88354 14.5457 6.62972 4.67519 17.0991 8.53212 5.59328 7.14031 numMergedOcc 0
36 mol 98 unq 1 iso 0 dist 7.89665 8.49023 5.39354 6.6076 6.62972 10.6513 10.0186 8.53212 10.3766 7.14031 numMergedOcc 0
37 mol 98 unq 1 iso 1 dist 5.39354 8.49023 7.89665 10.6513 6.62972 6.6076 10.3766 8.53212 10.0186 7.14031 numMergedOcc 0
38 mol 98 unq 2 iso 0 dist 7.89665 11.0242 5.74854 6.6076 6.62972 10.4027 10.0186 8.53212 7.5242 7.14031 numMergedOcc 0
39 mol 98 unq 2 iso 1 dist 5.74854 11.0242 7.89665 10.4027 6.62972 6.6076 7.5242 8.53212 10.0186 7.14031 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 7.89665 8.16331 8.76566 6.6076 6.62972 12.3568 10.0186 8.53212 15.4911 7.14031 numMergedOcc 0
41 mol 98 unq 3 iso 1 dist 8.76566 8.16331 7.89665 12.3568 6.62972 6.6076 15.4911 8.53212 10.0186 7.14031 numMergedOcc 0
42 mol 98 unq 4 iso 0 dist 7.89665 13.0697 8.8368 6.6076 6.62972 14.5457 10.0186 8.53212 17.0991 7.14031 numMergedOcc 0
43 mol 98 unq 4 iso 1 dist 8.8368 13.0697 7.89665 14.5457 6.62972 6.6076 17.0991 8.53212 10.0186 7.14031 numMergedOcc 0
44 mol 98 unq 2 iso 0 dist 5.39354 5.09649 5.74854 10.6513 6.62972 10.4027 10.3766 8.53212 7.5242 7.14031 numMergedOcc 0
45 mol 98 unq 2 iso 1 dist 5.74854 5.09649 5.39354 10.4027 6.62972 10.6513 7.5242 8.53212 10.3766 7.14031 numMergedOcc 0
46 mol 98 unq 3 iso 0 dist 5.39354 7.17023 8.76566 10.6513 6.62972 12.3568 10.3766 8.53212 15.4911 7.14031 numMergedOcc 0
47 mol 98 unq 3 iso 1 dist 8.76566 7.17023 5.39354 12.3568 6.62972 10.6513 15.4911 8.53212 10.3766 7.14031 numMergedOcc 0
48 mol 98 unq 4 iso 0 dist 5.39354 8.31884 8.8368 10.6513 6.62972 14.5457 10.3766 8.53212 17.0991 7.14031 numMergedOcc 0
49 mol 98 unq 4 iso 1 dist 8.8368 8.31884 5.39354 14.5457 6.62972 10.6513 17.0991 8.53212 10.3766 7.14031 numMergedOcc 0
50 mol 98 unq 3 iso 0 dist 5.74854 11.9511 8.76566 10.4027 6.62972 12.3568 7.5242 8.53212 15.4911 7.14031 numMergedOcc 0
51 mol 98 unq 3 iso 1 dist 8.76566 11.9511 5.74854 12.3568 6.62972 10.4027 15.4911 8.53212 7.5242 7.14031 numMergedOcc 0
52 mol 98 unq 4 iso 0 dist 5.74854 11.569 8.8368 10.4027 6.62972 14.5457 7.5242 8.53212 17.0991 7.14031 numMergedOcc 0
53 mol 98 unq 4 iso 1 dist 8.8368 11.569 5.74854 14.5457 6.62972 10.4027 17.0991 8.53212 7.5242 7.14031 numMergedOcc 0
54 mol 98 unq 4 iso 0 dist 8.76566 6.66172 8.8368 12.3568 6.62972 14.5457 15.4911 8.53212 17.0991 7.14031 numMergedOcc 0
55 mol 98 unq 4 iso 1 dist 8.8368 6.66172 8.76566 14.5457 6.62972 12.3568 17.0991 8.53212 15.4911 7.14031 numMergedOcc 0
56 mol 131 unq 0 iso 0 dist 9.15431 7.58238 6.92648 6.51918 5.44303 7.92788 10.8571 5.66194 11.8964 5.87084 numMergedOcc 0
57 mol 131 unq 0 iso 1 dist 6.92648 7.58238 9.15431 7.92788 5.44303 6.51918 11.8964 5.66194 10.8571 5.87084 numMergedOcc 0
58 mol 131 unq 1 iso 0 dist 9.15431 13.2572 9.29384 6.51918 5.44303 13.1439 10.8571 5.66194 14.9021 5.87084 numMergedOcc 0
59 mol 131 unq 1 iso 1 dist 9.29384 13.2572 9.15431 13.1439 5.44303 6.51918 14.9021 5.66194 10.8571 5.87084 numMergedOcc 0
60 mol 131 unq 2 iso 0 dist 8.86329 5.55373 8.71039 10.3369 8.92828 7.92788 15.5509 11.6708 11.8964 5.87084 numMergedOcc 0
61 mol 131 unq 2 iso 1 dist 8.71039 5.55373 8.86329 7.92788 8.92828 10.3369 11.8964 11.6708 15.5509 5.87084 numMergedOcc 0
62 mol 131 unq 1 iso 0 dist 6.92648 6.63273 9.29384 7.92788 5.44303 13.1439 11.8964 5.66194 14.9021 5.87084 numMergedOcc 0
63 mol 131 unq 1 iso 1 dist 9.29384 6.63273 6.92648 13.1439 5.44303 7.92788 14.9021 5.66194 11.8964 5.87084 numMergedOcc 0
64 mol 134 unq 0 iso 0 dist 7.36779 5.62899 8.20836 7.1797 9.30061 4.57832 10.8985 14.2253 10.5252 6.40575 numMergedOcc 0
65 mol 134 unq 0 iso 1 dist 8.20836 5.62899 7.36779 4.57832 9.30061 7.1797 10.5252 14.2253 10.8985 6.40575 numMergedOcc 0
66 mol 141 unq 0 iso 0 dist 6.69515 6.21253 7.86572 10.1386 4.46777 10.1432 11.0743 5.38571 9.97343 6.83404 numMergedOcc 0
67 mol 141 unq 0 iso 1 dist 7.86572 6.21253 6.69515 10.1432 4.46777 10.1386 9.97343 5.38571 11.0743 6.83404 numMergedOcc 0
68 mol 181 unq 0 iso 0 dist 6.51749 10.1912 7.20392 5.6044 7.11785 12.9468 11.602 8.30281 14.8662 7.22883 numMergedOcc 0
69 mol 181 unq 0 iso 1 dist 7.20392 10.1912 6.51749 12.9468 7.11785 5.6044 14.8662 8.30281 11.602 7.22883 numMergedOcc 0
70 mol 194 unq 0 iso 0 dist 6.26839 8.0179 8.12346 11.6598 5.68348 12.0887 12.4952 7.50057 15.1649 6.38324 numMergedOcc 0
71 mol 194 unq 0 iso 1 dist 8.12346 8.0179 6.26839 12.0887 5.68348 11.6598 15.1649 7.50057 12.4952 6.38324 numMergedOcc 0
72 mol 194 unq 1 iso 0 dist 6.26839 8.0179 8.12346 11.6598 5.68348 12.0887 8.65535 5.92931 12.0009 6.1886 numMergedOcc 0
73 mol 194 unq 1 iso 1 dist 8.12346 8.0179 6.26839 12.0887 5.68348 11.6598 12.0009 5.92931 8.65535 6.1886 numMergedOcc 0
74 mol 194 unq 2 iso 0 dist 6.26839 14.6506 8.83356 11.6598 5.68348 7.11753 12.4952 7.50057 6.72379 6.38324 numMergedOcc 0
75 mol 194 unq 2 iso 1 dist 8.83356 14.6506 6.26839 7.11753 5.68348 11.6598 6.72379 7.50057 12.4952 6.38324 numMergedOcc 0
76 mol 194 unq 3 iso 0 dist 6.26839 14.6506 8.83356 11.6598 5.68348 7.11753 8.65535 5.92931 12.645 6.1886 numMergedOcc 0
77 mol 194 unq 3 iso 1 dist 8.83356 14.6506 6.26839 7.11753 5.68348 11.6598 12.645 5.92931 8.65535 6.1886 numMergedOcc 0
78 mol 194 unq 4 iso 0 dist 6.26839 8.48054 8.2654 11.6598 5.68348 12.8755 12.4952 7.50057 13.2138 6.38324 numMergedOcc 0
79 mol 194 unq 4 iso 1 dist 8.2654 8.48054 6.26839 12.8755 5.68348 11.6598 13.2138 7.50057 12.4952 6.38324 numMergedOcc 0
80 mol 194 unq 5 iso 0 dist 6.26839 8.48054 8.2654 11.6598 5.68348 12.8755 8.65535 5.92931 13.9101 6.1886 numMergedOcc 0
81 mol 194 unq 5 iso 1 dist 8.2654 8.48054 6.26839 12.8755 5.68348 11.6598 13.9101 5.92931 8.65535 6.1886 numMergedOcc 0
82 mol 194 unq 2 iso 0 dist 8.12346 13.5632 8.83356 12.0887 5.68348 7.11753 15.1649 7.50057 6.72379 6.38324 numMergedOcc 0
83 mol 194 unq 2 iso 1 dist 8.83356 13.5632 8.12346 7.11753 5.68348 12.0887 6.72379 7.50057 15.1649 6.38324 numMergedOcc 0
84 mol 194 unq 3 iso 0 dist 8.12346 13.5632 8.83356 12.0887 5.68348 7.11753 12.0009 5.92931 12.645 6.1886 numMergedOcc 0
85 mol 194 unq 3 iso 1 dist 8.83356 13.5632 8.12346 7.11753 5.68348 12.0887 12.645 5.92931 12.0009 6.1886 numMergedOcc 0
86 mol 194 unq 4 iso 0 dist 8.12346 6.26298 8.2654 12.0887 5.68348 12.8755 15.1649 7.50057 13.2138 6.38324 numMergedOcc 0
87 mol 194 unq 4 iso 1 dist 8.2654 6.26298 8.12346 12.8755 5.68348 12.0887 13.2138 7.50057 15.1649 6.38324 numMergedOcc 0
88 mol 194 unq 5 iso 0 dist 8.12346 6.26298 8.2654 12.0887 5.68348 12.8755 12.0009 5.92931 13.9101 6.1886 numMergedOcc 0
89 mol 194 unq 5 iso 1 dist 8.2654 6.26298 8.12346 12.8755 5.68348 12.0887 13.9101 5.92931 12.0009 6.1886 numMergedOcc 0
90 mol 194 unq 4 iso 0 dist 8.83356 11.6097 8.2654 7.11753 5.68348 12.8755 6.72379 7.50057 13.2138 6.38324 numMergedOcc 0
91 mol 194 unq 4 iso 1 dist 8.2654 11.6097 8.83356 12.8755 5.68348 7.11753 13.2138 7.50057 6.72379 6.38324 numMergedOcc 0
92 mol 194 unq 5 iso 0 dist 8.83356 11.6097 8.2654 7.11753 5.68348 12.8755 12.645 5.92931 13.9101 6.1886 numMergedOcc 0
93 mol 194 unq 5 iso 1 dist 8.2654 11.6097 8.83356 12.8755 5.68348 7.11753 13.9101 5.92931 12.645 6.1886 numMergedOcc 0
94 mol 277 unq 0 iso 0 dist 6.57903 6.59123 9.65707 6.28695 7.85414 4.39413 10.5329 5.43373 11.3516 8.20644 numMergedOcc 0
95 mol 277 unq 0 iso 1 dist 9.65707 6.59123 6.57903 4.39413 7.85414 6.28695 11.3516 5.43373 10.5329 8.20644 numMergedOcc 0
