0 mol 7 unq 0 iso 0 dist 8.41173 7.38748 10.1841 12.9957 9.58865 15.1192 13.2816 5.42241 13.4567 8.40995 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.27331 7.45777 4.68175 14.1204 7.21285 7.32265 11.8571 7.09483 4.56026 5.68894 numMergedOcc 0
2 mol 99 unq 0 iso 0 dist 6.81741 8.68674 4.74328 8.61334 8.23566 4.82346 16.0978 12.5118 9.73996 9.39801 numMergedOcc 0
3 mol 99 unq 1 iso 0 dist 6.81741 8.68674 4.74328 8.61334 8.23566 4.82346 12.3208 6.55763 4.41001 8.89165 numMergedOcc 0
4 mol 140 unq 0 iso 0 dist 8.05043 7.60956 4.8476 5.00766 9.74209 6.55217 9.9171 8.53976 5.17212 7.21686 numMergedOcc 0
5 mol 140 unq 1 iso 0 dist 8.05043 9.9171 8.53976 5.00766 9.74209 7.21686 7.60956 4.8476 5.17212 6.55217 numMergedOcc 0
6 mol 183 unq 0 iso 0 dist 7.69421 8.29364 6.39127 4.92164 9.82833 11.5589 8.97652 9.01399 5.77399 9.84649 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 7.30965 8.3453 5.1366 6.16078 7.72242 11.2722 6.2016 5.21255 6.63296 5.83093 numMergedOcc 0
8 mol 203 unq 0 iso 0 dist 7.9591 6.84619 4.9404 4.51654 8.8589 5.46529 11.2429 9.33982 5.73409 7.72215 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 6.40358 4.3362 10.8891 10.8839 5.7733 13.4168 6.89587 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 6.40358 4.3362 11.0474 10.8839 5.7733 12.917 6.89587 numMergedOcc 0
11 mol 220 unq 2 iso 0 dist 7.20255 5.25149 9.96224 6.40358 5.51565 10.8891 10.8839 4.4922 13.4168 6.89587 numMergedOcc 0
12 mol 220 unq 3 iso 0 dist 7.20255 5.25149 9.96224 7.36665 9.74776 12.5698 8.6368 8.70221 11.0459 9.984 numMergedOcc 0
13 mol 220 unq 4 iso 0 dist 7.20255 8.6368 8.70221 6.40358 5.51565 11.0474 10.8839 4.4922 12.917 6.89587 numMergedOcc 0
14 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 4.68566 9.86372 7.96628 8.87456 8.36102 4.71901 7.76053 numMergedOcc 0
15 mol 223 unq 1 iso 0 dist 9.29204 8.87456 8.36102 4.68566 9.86372 7.76053 6.97426 4.73988 4.71901 7.96628 numMergedOcc 0
16 mol 223 unq 2 iso 0 dist 9.14789 6.97426 4.78255 4.68566 7.70946 7.96628 8.87456 5.43913 4.71901 7.76053 numMergedOcc 0
17 mol 223 unq 3 iso 0 dist 9.14789 8.87456 5.43913 4.68566 7.70946 7.76053 6.97426 4.78255 4.71901 7.96628 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 7.20862 8.74399 12.3908 15.6116 9.05082 20.9562 16.5565 12.3913 24.2427 8.24741 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 6.00654 9.01071 12.178 10.1043 8.78008 18.9779 8.86185 8.20191 15.9311 7.80073 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 7.58833 8.00386 10.9665 6.13333 6.04688 10.464 3.67935 4.88298 6.79958 5.70674 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 7.70189 8.10903 5.27718 5.79358 6.59521 8.73425 7.25618 9.46467 5.31174 9.65711 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 7.70189 7.25618 9.46467 5.79358 6.59521 9.65711 8.10903 5.27718 5.31174 8.73425 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 6.41477 8.88741 10.1876 9.836 9.64886 18.0969 17.025 14.3335 23.6515 8.96253 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 13.1 9.42812 13.9579 11.8319 10.3278 12.2506 6.40125 numMergedOcc 0
