0 mol 9 unq 0 iso 0 dist 8.77074 11.1857 8.55446 11.1449 4.74921 5.40172 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.77074 9.93406 6.59455 11.1449 4.74921 3.91893 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.77074 13.0985 5.71201 11.1449 4.74921 4.94281 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.70141 12.1061 4.90592 10.3497 9.65174 9.63925 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.70141 6.81998 8.16324 10.3497 9.65174 12.5427 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.46609 4.29919 9.5053 9.54853 9.41425 8.58071 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 9.00593 13.0892 7.40415 13.3238 8.75468 10.4406 numMergedOcc 0
7 mol 28 unq 1 iso 0 dist 9.00593 13.0892 7.40415 10.4507 7.62989 12.0524 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 9.00593 13.0892 7.40415 3.45063 5.70238 10.0581 numMergedOcc 0
9 mol 34 unq 0 iso 0 dist 7.27883 9.02863 6.15801 13.9292 9.31883 9.92713 numMergedOcc 0
10 mol 34 unq 1 iso 0 dist 7.27883 9.02863 6.15801 12.332 9.475 10.6518 numMergedOcc 0
11 mol 34 unq 2 iso 0 dist 7.27883 9.02863 6.15801 10.6903 8.34011 5.94977 numMergedOcc 0
12 mol 34 unq 3 iso 0 dist 7.27883 9.02863 6.15801 7.10408 6.29842 6.35031 numMergedOcc 0
13 mol 34 unq 4 iso 0 dist 7.27883 12.015 9.63403 13.9292 9.31883 15.7295 numMergedOcc 0
14 mol 34 unq 5 iso 0 dist 7.27883 12.015 9.63403 12.332 9.475 16.8534 numMergedOcc 0
15 mol 34 unq 6 iso 0 dist 7.27883 12.015 9.63403 10.6903 8.34011 12.3865 numMergedOcc 0
16 mol 34 unq 7 iso 0 dist 7.27883 12.015 9.63403 7.10408 6.29842 5.50427 numMergedOcc 0
17 mol 34 unq 8 iso 0 dist 7.27883 4.1203 8.07314 13.9292 9.31883 16.4972 numMergedOcc 0
18 mol 34 unq 9 iso 0 dist 7.27883 4.1203 8.07314 12.332 9.475 15.5365 numMergedOcc 0
19 mol 34 unq 10 iso 0 dist 7.27883 4.1203 8.07314 10.6903 8.34011 13.3825 numMergedOcc 0
20 mol 34 unq 11 iso 0 dist 7.27883 4.1203 8.07314 7.10408 6.29842 5.12822 numMergedOcc 0
21 mol 63 unq 0 iso 0 dist 5.9644 3.72318 5.53589 6.42684 4.92457 3.23074 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 6.53468 4.79924 7.62738 12.7709 8.59337 12.1293 numMergedOcc 0
23 mol 73 unq 1 iso 0 dist 6.53468 4.79924 7.62738 13.1304 7.66942 15.0139 numMergedOcc 0
24 mol 73 unq 2 iso 0 dist 5.90954 9.80492 7.62738 7.78675 8.59337 12.1293 numMergedOcc 0
25 mol 73 unq 3 iso 0 dist 5.90954 9.80492 7.62738 7.76917 7.66942 15.0139 numMergedOcc 0
26 mol 90 unq 0 iso 0 dist 7.86269 6.66441 7.31784 12.2776 9.08732 5.97902 numMergedOcc 0
27 mol 93 unq 0 iso 0 dist 8.42713 15.595 7.62611 14.4533 6.46217 6.4154 numMergedOcc 0
28 mol 93 unq 1 iso 0 dist 8.21032 4.38413 7.62611 3.24551 6.46217 6.4154 numMergedOcc 0
29 mol 114 unq 0 iso 0 dist 5.82501 3.88006 7.42482 5.40104 6.4569 3.67473 numMergedOcc 0
30 mol 147 unq 0 iso 0 dist 6.4752 10.7246 7.25644 11.3398 7.19893 13.5462 numMergedOcc 0
31 mol 147 unq 1 iso 0 dist 6.4752 10.7246 7.25644 6.78721 6.37938 13.2259 numMergedOcc 0
32 mol 151 unq 0 iso 0 dist 5.87912 3.95051 4.74531 9.75631 9.06016 11.8889 numMergedOcc 0
33 mol 151 unq 1 iso 0 dist 7.06678 9.40926 4.74531 8.95545 9.06016 11.8889 numMergedOcc 0
34 mol 158 unq 0 iso 0 dist 6.92225 4.31531 6.76055 10.5886 8.06621 9.64397 numMergedOcc 0
35 mol 158 unq 1 iso 0 dist 6.92225 9.29425 9.36343 10.5886 8.06621 5.16839 numMergedOcc 0
36 mol 162 unq 0 iso 0 dist 8.48559 7.15755 7.14263 10.5749 9.56342 6.17752 numMergedOcc 0
37 mol 162 unq 1 iso 0 dist 8.48559 7.74683 8.57005 10.5749 9.56342 8.7961 numMergedOcc 0
38 mol 163 unq 0 iso 0 dist 9.3832 4.04072 9.79069 3.65465 7.69757 6.5925 numMergedOcc 0
39 mol 163 unq 1 iso 0 dist 9.3832 16.9342 9.27496 3.65465 7.69757 15.5126 numMergedOcc 0
40 mol 163 unq 2 iso 0 dist 6.0247 12.5525 9.79069 11.458 7.69757 6.5925 numMergedOcc 0
41 mol 163 unq 3 iso 0 dist 6.0247 4.37572 9.27496 11.458 7.69757 15.5126 numMergedOcc 0
42 mol 163 unq 4 iso 0 dist 6.40873 8.81556 9.79069 9.56095 7.69757 6.5925 numMergedOcc 0
43 mol 163 unq 5 iso 0 dist 6.40873 7.05786 9.27496 9.56095 7.69757 15.5126 numMergedOcc 0
44 mol 175 unq 0 iso 0 dist 9.08628 9.7676 8.05247 16.2286 7.6741 10.297 numMergedOcc 0
45 mol 175 unq 1 iso 0 dist 9.08628 11.4159 9.71028 16.2286 7.6741 11.8094 numMergedOcc 0
46 mol 175 unq 2 iso 0 dist 8.35581 5.81984 8.05247 10.3387 7.6741 10.297 numMergedOcc 0
47 mol 175 unq 3 iso 0 dist 8.35581 12.3602 9.71028 10.3387 7.6741 11.8094 numMergedOcc 0
48 mol 175 unq 4 iso 0 dist 6.72569 3.98834 8.05247 7.28678 7.6741 10.297 numMergedOcc 0
49 mol 175 unq 5 iso 0 dist 6.72569 9.4225 9.71028 7.28678 7.6741 11.8094 numMergedOcc 0
50 mol 175 unq 6 iso 0 dist 9.12296 11.6344 5.89564 9.43753 6.90373 3.6642 numMergedOcc 0
51 mol 175 unq 7 iso 0 dist 9.12296 5.96987 5.60528 9.43753 6.90373 6.03236 numMergedOcc 0
52 mol 182 unq 0 iso 0 dist 9.52012 7.42937 8.43933 6.13129 9.19506 11.8933 numMergedOcc 0
53 mol 182 unq 1 iso 0 dist 9.52012 7.42937 8.43933 4.38036 9.94904 7.36876 numMergedOcc 0
54 mol 182 unq 2 iso 0 dist 9.52012 7.42937 8.43933 9.10159 9.30893 4.17332 numMergedOcc 0
55 mol 213 unq 0 iso 0 dist 8.91912 9.37425 8.42053 12.2295 7.79105 4.40538 numMergedOcc 0
56 mol 218 unq 0 iso 0 dist 9.6309 10.2441 9.32945 8.71194 6.62738 7.3057 numMergedOcc 0
57 mol 218 unq 1 iso 0 dist 9.6309 10.2441 9.32945 5.07361 7.13254 10.5867 numMergedOcc 0
58 mol 220 unq 0 iso 0 dist 5.31079 6.5238 6.51288 6.66492 5.37154 5.32823 numMergedOcc 0
59 mol 237 unq 0 iso 0 dist 9.80232 11.5107 6.11495 9.06943 9.61703 5.74428 numMergedOcc 0
60 mol 264 unq 0 iso 0 dist 8.28871 14.7332 7.21655 9.86659 8.78525 10.197 numMergedOcc 0
61 mol 264 unq 1 iso 0 dist 7.94668 10.3515 7.21655 9.26671 8.78525 10.197 numMergedOcc 0
62 mol 277 unq 0 iso 0 dist 5.70326 9.45482 8.81717 4.20802 4.61089 11.6159 numMergedOcc 0
