0 mol 16 unq 0 iso 0 dist 9.47421 6.06561 6.58035 12.558 7.03948 10.7015 12.3246 10.9633 8.41862 17.3012 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.47421 6.06561 6.58035 5.66097 5.47769 5.32694 12.3246 10.9633 8.41862 13.0191 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 5.36258 6.57145 8.23643 6.01189 8.73972 5.03957 10.4026 12.7954 8.78293 12.6444 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 5.36258 6.57145 8.23643 6.01189 8.73972 5.03957 12.7832 11.0033 7.82528 10.2708 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.64746 6.41829 9.54144 9.95527 8.68586 10.6748 11.9614 6.23335 9.80142 13.3487 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 6.36583 6.24736 6.19042 5.81718 8.43904 9.22558 10.0892 6.59581 9.38288 14.332 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 6.36583 6.24736 6.19042 5.81718 8.43904 9.22558 12.6501 8.58342 7.44174 13.4411 numMergedOcc 0
7 mol 119 unq 2 iso 0 dist 6.36583 5.81718 8.43904 6.24736 6.19042 9.22558 7.41608 4.84196 9.80862 10.2144 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 5.45159 13.8098 8.59981 5.9827 6.192 11.279 17.9769 12.7129 7.34519 16.5965 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 5.45159 13.8098 8.59981 7.79941 7.69308 11.4958 17.9769 12.7129 7.34519 18.1066 numMergedOcc 0
10 mol 127 unq 2 iso 0 dist 5.45159 13.8098 8.59981 12.0185 7.66331 5.55757 17.9769 12.7129 7.34519 8.58999 numMergedOcc 0
11 mol 127 unq 3 iso 0 dist 5.45159 12.0185 7.66331 5.9827 6.192 8.77327 17.9769 12.7129 8.58999 16.5965 numMergedOcc 0
12 mol 127 unq 4 iso 0 dist 5.45159 12.0185 7.66331 7.79941 7.69308 11.521 17.9769 12.7129 8.58999 18.1066 numMergedOcc 0
13 mol 127 unq 5 iso 0 dist 5.45159 12.0185 7.66331 13.8098 8.59981 5.55757 17.9769 12.7129 8.58999 7.34519 numMergedOcc 0
14 mol 127 unq 6 iso 0 dist 4.9835 11.5038 8.59981 7.96613 6.192 11.279 16.5411 12.7129 7.34519 16.5965 numMergedOcc 0
15 mol 127 unq 7 iso 0 dist 4.9835 11.5038 8.59981 6.32804 7.69308 11.4958 16.5411 12.7129 7.34519 18.1066 numMergedOcc 0
16 mol 127 unq 8 iso 0 dist 4.9835 11.5038 8.59981 12.1032 7.66331 5.55757 16.5411 12.7129 7.34519 8.58999 numMergedOcc 0
17 mol 127 unq 9 iso 0 dist 4.9835 12.1032 7.66331 7.96613 6.192 8.77327 16.5411 12.7129 8.58999 16.5965 numMergedOcc 0
18 mol 127 unq 10 iso 0 dist 4.9835 12.1032 7.66331 6.32804 7.69308 11.521 16.5411 12.7129 8.58999 18.1066 numMergedOcc 0
19 mol 127 unq 11 iso 0 dist 4.9835 12.1032 7.66331 11.5038 8.59981 5.55757 16.5411 12.7129 8.58999 7.34519 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 8.54318 10.0656 7.16254 12.7034 9.14392 5.71071 14.9922 7.63368 9.86313 7.51198 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 8.54318 12.7034 9.14392 10.0656 7.16254 5.71071 14.9922 7.63368 7.51198 9.86313 numMergedOcc 0
22 mol 228 unq 0 iso 0 dist 8.10816 5.85714 8.06181 10.5025 8.38048 5.43096 4.55699 8.57673 9.42615 12.7909 numMergedOcc 0
23 mol 228 unq 1 iso 0 dist 8.10816 5.85714 8.06181 14.2891 7.65132 11.1899 4.55699 8.57673 9.42615 14.9859 numMergedOcc 0
24 mol 228 unq 2 iso 0 dist 8.10816 5.85714 8.06181 10.0386 8.53764 5.93014 4.55699 8.57673 9.42615 13.6165 numMergedOcc 0
25 mol 228 unq 3 iso 0 dist 7.81837 14.5035 8.06181 11.9658 8.38048 5.43096 15.8957 8.57673 9.42615 12.7909 numMergedOcc 0
26 mol 228 unq 4 iso 0 dist 7.81837 14.5035 8.06181 5.84747 7.65132 11.1899 15.8957 8.57673 9.42615 14.9859 numMergedOcc 0
27 mol 228 unq 5 iso 0 dist 7.81837 14.5035 8.06181 12.7016 8.53764 5.93014 15.8957 8.57673 9.42615 13.6165 numMergedOcc 0
28 mol 228 unq 6 iso 0 dist 7.95486 5.79543 7.77367 10.4968 8.20909 5.42695 4.42593 8.22089 9.06121 12.4332 numMergedOcc 0
29 mol 228 unq 7 iso 0 dist 7.95486 5.79543 7.77367 14.5051 7.94506 11.3702 4.42593 8.22089 9.06121 14.7666 numMergedOcc 0
30 mol 228 unq 8 iso 0 dist 7.95486 5.79543 7.77367 10.0847 8.15494 6.001 4.42593 8.22089 9.06121 13.3068 numMergedOcc 0
31 mol 228 unq 9 iso 0 dist 7.97746 14.4066 7.77367 11.8013 8.20909 5.42695 15.5327 8.22089 9.06121 12.4332 numMergedOcc 0
32 mol 228 unq 10 iso 0 dist 7.97746 14.4066 7.77367 5.70777 7.94506 11.3702 15.5327 8.22089 9.06121 14.7666 numMergedOcc 0
33 mol 228 unq 11 iso 0 dist 7.97746 14.4066 7.77367 12.5209 8.15494 6.001 15.5327 8.22089 9.06121 13.3068 numMergedOcc 0
34 mol 236 unq 0 iso 0 dist 5.77356 5.27568 7.17676 7.77821 5.34718 7.28249 9.24309 7.88539 6.68463 10.5713 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 7.87164 14.8949 9.68513 11.2453 9.29858 10.1648 11.3167 4.83721 5.9216 10.7386 numMergedOcc 0
36 mol 293 unq 0 iso 0 dist 5.88449 5.67215 9.47908 11.4201 8.56847 10.9721 7.2668 7.08365 9.97212 14.1253 numMergedOcc 0
37 mol 293 unq 1 iso 0 dist 7.44889 8.36783 9.47908 9.51167 8.56847 10.9721 12.45 7.08365 9.97212 14.1253 numMergedOcc 0
38 mol 293 unq 2 iso 0 dist 5.50284 6.91752 9.47908 5.66805 8.56847 10.9721 8.88355 7.08365 9.97212 14.1253 numMergedOcc 0
