0 mol 7 unq 0 iso 0 dist 8.94874 8.19144 9.17096 5.77391 7.21217 7.31201 11.9671 6.09254 10.789 7.10621 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.10175 8.41365 10.352 5.65405 5.59773 5.02241 14.4402 13.9079 6.91765 9.5589 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 6.10175 8.41365 10.352 5.65405 5.59773 5.02241 10.5929 10.4238 5.06052 6.83299 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 6.10175 8.41365 10.352 5.65405 5.59773 5.02241 6.54183 10.1356 10.1332 8.10861 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 9.69751 9.76145 5.42703 10.1412 12.6565 7.92394 13.783 9.98088 6.65811 9.65964 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 4.85152 6.58062 5.02124 11.1785 9.514 5.81965 11.1915 11.8037 6.99832 7.4729 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 4.85152 6.58062 5.02124 10.8489 13.0248 9.70512 11.1915 11.8037 6.99832 6.82344 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 8.26291 6.16039 12.2551 9.86628 17.2177 6.89257 13.6645 20.7244 8.84655 8.70949 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 6.67598 9.40225 10.3893 5.66289 7.30021 6.27641 9.19499 5.0966 7.29758 7.44554 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 6.67598 9.40225 10.3893 5.66289 7.30021 6.27641 7.11647 5.75141 8.67156 8.94056 numMergedOcc 0
10 mol 156 unq 2 iso 0 dist 6.67598 9.40225 10.3893 5.66289 7.30021 6.27641 13.581 12.865 4.53931 9.83699 numMergedOcc 0
11 mol 156 unq 3 iso 0 dist 8.98636 9.40225 13.7819 5.66289 12.0043 6.27641 9.19499 8.58765 7.29758 7.44554 numMergedOcc 0
12 mol 156 unq 4 iso 0 dist 8.98636 9.40225 13.7819 5.66289 12.0043 6.27641 7.11647 5.6208 8.67156 8.94056 numMergedOcc 0
13 mol 156 unq 5 iso 0 dist 8.98636 9.40225 13.7819 5.66289 12.0043 6.27641 13.581 16.2371 4.53931 9.83699 numMergedOcc 0
14 mol 156 unq 6 iso 0 dist 8.79185 9.40225 7.02779 5.66289 10.0734 6.27641 9.19499 9.07974 7.29758 7.44554 numMergedOcc 0
15 mol 156 unq 7 iso 0 dist 8.79185 9.40225 7.02779 5.66289 10.0734 6.27641 7.11647 5.70205 8.67156 8.94056 numMergedOcc 0
16 mol 156 unq 8 iso 0 dist 8.79185 9.40225 7.02779 5.66289 10.0734 6.27641 13.581 9.95824 4.53931 9.83699 numMergedOcc 0
17 mol 156 unq 9 iso 0 dist 9.41152 4.94012 6.75279 4.68187 12.6493 6.27641 10.0213 12.6859 7.29758 7.44554 numMergedOcc 0
18 mol 156 unq 10 iso 0 dist 9.41152 4.94012 6.75279 4.68187 12.6493 6.27641 11.8093 14.3164 8.67156 8.94056 numMergedOcc 0
19 mol 156 unq 11 iso 0 dist 9.41152 4.94012 6.75279 4.68187 12.6493 6.27641 7.98018 4.7382 4.53931 9.83699 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 9.70186 9.15536 9.36129 10.5343 10.6976 9.31887 17.5589 14.0916 11.0415 9.0018 numMergedOcc 0
21 mol 175 unq 1 iso 0 dist 9.70186 9.15536 9.36129 10.5343 10.6976 9.31887 11.5905 7.62435 5.0384 7.652 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.62543 7.88787 9.47543 10.2898 14.9652 9.6668 14.2552 17.3015 8.25067 9.15386 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 8.03259 9.30874 9.80135 5.114 11.2315 6.94688 8.90247 6.94401 6.25083 9.1374 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 8.03259 9.30874 9.80135 5.114 11.2315 6.94688 10.3907 13.9623 5.86342 5.98885 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 8.03259 9.30874 9.80135 5.114 11.2315 6.94688 13.7299 16.475 6.80228 9.15386 numMergedOcc 0
26 mol 181 unq 4 iso 0 dist 8.03259 5.54873 4.97806 5.114 11.2315 6.71012 8.90247 6.94401 4.77278 9.1374 numMergedOcc 0
27 mol 181 unq 5 iso 0 dist 8.03259 5.54873 4.97806 5.114 11.2315 6.71012 10.3907 13.9623 9.14057 5.98885 numMergedOcc 0
28 mol 181 unq 6 iso 0 dist 8.03259 5.54873 4.97806 5.114 11.2315 6.71012 13.7299 16.475 11.6919 9.15386 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 9.64455 5.77917 7.72105 7.05305 14.746 7.46831 11.3827 13.0236 6.67959 8.85478 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 4.3362 8.57161 7.84277 9.20027 7.31105 6.99002 17.1012 14.6296 15.9568 9.23153 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 4.3362 8.57161 7.84277 9.20027 7.31105 6.99002 13.6374 9.52692 11.1321 8.24498 numMergedOcc 0
32 mol 220 unq 2 iso 0 dist 5.51565 8.57161 5.83946 9.20027 10.2676 6.99002 17.1012 19.1028 15.9568 9.23153 numMergedOcc 0
33 mol 220 unq 3 iso 0 dist 5.51565 8.57161 5.83946 9.20027 10.2676 6.99002 13.6374 13.0368 11.1321 8.24498 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 7.7163 9.97425 5.46434 11.8217 9.34636 7.06793 7.07564 5.63485 9.36098 8.95269 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 9.2 9.97425 11.0842 11.8217 12.8171 7.06793 7.07564 4.8786 9.36098 8.95269 numMergedOcc 0
36 mol 224 unq 2 iso 0 dist 9.06201 8.39753 5.46434 11.9904 9.34636 7.06793 10.9817 5.63485 9.36098 8.95269 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 6.32593 5.72415 5.1967 6.53984 9.75174 6.91569 12.6391 13.477 10.9761 6.57393 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 9.78444 8.5166 13.3407 9.78463 18.214 7.39747 13.742 19.4052 6.26168 7.00034 numMergedOcc 0
