0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 6.28925 10.6847 7.58143 12.0193 5.99972 10.6471 12.0719 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 7.31201 10.789 8.70159 4.87279 8.50789 13.8829 8.72114 13.6379 6.04832 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.36807 10.515 8.70159 4.87279 7.58143 13.8829 8.72114 9.97624 6.04832 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 4.54938 8.78293 10.9543 7.97324 8.33878 6.37382 4.97119 6.41575 13.1234 12.8082 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.54938 8.23643 6.55187 7.97324 8.33878 7.24362 4.97119 6.41575 11.3136 12.8082 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 4.54938 7.82528 5.14627 7.97324 8.33878 13.3417 4.97119 6.41575 5.82366 12.8082 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 6.864 8.78293 11.4401 7.97324 11.8689 6.37382 4.97119 6.41423 13.1234 12.8082 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 6.864 8.23643 12.3093 7.97324 11.8689 7.24362 4.97119 6.41423 11.3136 12.8082 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 6.864 7.82528 4.69858 7.97324 11.8689 13.3417 4.97119 6.41423 5.82366 12.8082 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 9.61998 7.72775 5.09339 6.66749 9.41441 13.2857 11.6758 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.96396 8.70133 7.41074 9.33919 7.9151 13.2106 5.11416 9.24757 7.10439 10.462 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.19304 4.65521 7.41074 9.79143 7.9151 13.2106 6.56633 9.24757 7.10439 10.462 numMergedOcc 0
12 mol 75 unq 0 iso 0 dist 7.79912 5.15851 10.0425 7.16975 7.09323 6.23298 11.4997 9.81166 13.1026 14.5525 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 9.30021 10.4545 4.59398 9.29301 9.82915 10.0297 13.05 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.47541 7.22293 7.98917 5.62635 10.4545 4.59398 13.5116 9.82915 10.0297 13.05 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 7.47541 7.22293 7.98917 7.07868 9.87083 10.755 13.5116 9.82915 10.0297 18.4974 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 6.19965 9.47876 11.6116 9.30021 12.3178 4.59398 8.09967 7.54568 11.8261 9.70745 numMergedOcc 0
17 mol 85 unq 4 iso 0 dist 7.66905 7.22293 11.6116 5.62635 12.3178 4.59398 4.65335 7.54568 11.8261 9.70745 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 7.66905 7.22293 11.6116 7.07868 11.3372 10.755 4.65335 7.54568 11.8261 8.60839 numMergedOcc 0
19 mol 85 unq 6 iso 0 dist 5.73196 7.22293 6.47779 5.62635 7.43006 4.59398 4.65335 9.39864 11.8261 9.70745 numMergedOcc 0
20 mol 85 unq 7 iso 0 dist 5.73196 7.22293 6.47779 7.07868 4.60756 10.755 4.65335 9.39864 11.8261 8.60839 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 7.81386 7.98142 9.53462 8.47008 7.45927 5.3049 7.20191 9.39829 13.5221 10.9996 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 7.81386 7.37327 11.1462 8.47008 7.45927 10.8044 7.20191 9.39829 14.5372 10.9996 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 7.63312 7.98142 9.60512 8.47008 5.83639 5.3049 5.63555 5.9176 5.97685 6.2176 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 7.63312 7.98142 9.60512 8.47008 5.83639 5.3049 7.20191 6.41453 13.5221 10.9996 numMergedOcc 0
25 mol 181 unq 4 iso 0 dist 7.63312 7.37327 13.3389 8.47008 5.83639 10.8044 5.63555 5.9176 8.9289 6.2176 numMergedOcc 0
26 mol 181 unq 5 iso 0 dist 7.63312 7.37327 13.3389 8.47008 5.83639 10.8044 7.20191 6.41453 14.5372 10.9996 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 7.26832 9.19704 6.23291 6.52987 7.36565 11.6274 10.3603 5.44002 10.5073 10.5519 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 7.00034 7.20082 7.04058 6.09177 6.41859 9.2906 10.0842 9.01021 10.9156 13.8697 numMergedOcc 0
29 mol 239 unq 1 iso 0 dist 7.00034 7.20082 7.04058 7.18198 9.00586 4.76769 10.0842 9.01021 10.9156 14.6387 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 7.64122 10.1317 5.15985 8.81835 7.98231 8.71497 10.9888 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 7.46176 7.48005 5.79468 7.64122 4.63899 5.15985 8.81835 7.08526 8.71497 10.9888 numMergedOcc 0
