0 mol 45 unq 0 iso 0 dist 9.60864 8.83919 5.85737 5.8449 11.951 8.98789 3.75636 7.43769 5.31095 4.9892 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 8.01382 8.06894 3.23074 10.2511 9.22331 9.07614 10.9018 9.71349 7.73753 5.44272 numMergedOcc 0
2 mol 63 unq 1 iso 0 dist 8.01382 8.06894 3.23074 8.58152 10.6742 9.21258 10.9018 9.71349 7.73753 14.1737 numMergedOcc 0
3 mol 63 unq 2 iso 0 dist 7.77386 5.89846 3.23074 9.80559 9.22331 9.07614 7.97838 9.71349 7.73753 5.44272 numMergedOcc 0
4 mol 63 unq 3 iso 0 dist 7.77386 5.89846 3.23074 6.8609 10.6742 9.21258 7.97838 9.71349 7.73753 14.1737 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 7.27852 4.95504 6.27606 8.80404 11.3399 9.61211 6.17229 11.5759 5.70283 10.07 numMergedOcc 0
6 mol 81 unq 1 iso 0 dist 7.27852 4.95504 6.27606 8.80404 11.3399 9.61211 8.36931 12.8975 7.16741 13.9513 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 5.99046 9.27814 8.44 15.4847 17.0856 9.22903 7.18472 10.7986 7.67463 10.6882 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.93424 8.14978 3.80763 13.0903 7.35385 9.80185 15.8234 9.03842 8.56285 8.52311 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 6.8891 8.14978 9.98068 13.0903 8.35864 9.80185 15.8234 14.447 8.56285 8.52311 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 6.6094 8.94352 10.1443 4.93601 11.1438 8.62135 15.6431 18.2684 9.28718 12.8195 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 9.13228 5.86468 6.04545 13.0222 5.0207 8.98606 3.76904 9.9319 6.03495 12.5274 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 7.71806 4.42095 7.29209 13.9253 13.5935 9.60788 10.9163 10.4112 8.93352 9.7375 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 8.84033 8.52735 11.7688 8.16509 15.9808 8.13294 9.26118 17.242 9.41157 4.79336 numMergedOcc 0
14 mol 252 unq 0 iso 0 dist 8.35637 5.2116 3.99887 6.46939 10.3055 6.71152 7.95139 7.89384 8.63893 12.8215 numMergedOcc 0
