0 mol 9 unq 0 iso 0 dist 9.16444 6.84888 7.05346 6.92407 8.30653 4.3947 10.26 8.50424 8.076 12.1193 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 8.96238 6.5705 6.77886 12.9131 9.03564 10.5332 13.2748 10.0962 6.99108 13.9879 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.124 16.0036 8.73253 15.7072 8.68662 10.9746 13.2119 6.56633 6.48232 8.96616 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.124 16.0036 8.73253 15.2252 7.4369 7.8972 13.2119 6.56633 6.48232 6.14542 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 5.56964 8.88275 4.79949 6.65453 9.85905 11.0792 9.61367 4.3931 6.66954 13.8179 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 5.56964 7.18485 7.27693 6.65453 9.85905 6.48293 4.73362 6.45686 9.75201 7.46095 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 8.92577 7.04774 7.12017 10.5559 7.82475 13.4027 15.3732 9.75737 9.5669 17.2742 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 8.92577 7.04774 7.12017 11.1947 5.35782 12.068 15.3732 9.75737 9.5669 14.2997 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 9.56324 10.3606 7.12017 15.353 7.82475 13.4027 6.36749 9.75737 9.5669 17.2742 numMergedOcc 0
9 mol 100 unq 3 iso 0 dist 9.56324 10.3606 7.12017 12.9628 5.35782 12.068 6.36749 9.75737 9.5669 14.2997 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.33945 11.8905 8.86329 9.88758 9.27976 5.30999 17.5551 10.3369 8.92828 13.4975 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 9.33945 11.8905 8.86329 9.88758 9.27976 5.30999 12.7271 7.7567 5.56627 10.0568 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 7.34465 7.97183 6.69515 11.1983 8.07097 5.25982 12.3922 10.1386 4.46777 5.92302 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 7.34465 7.97183 6.69515 11.1983 8.07097 5.25982 13.2114 7.42649 6.94988 5.29898 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 4.851 11.3699 9.20961 6.13691 6.67404 6.57708 14.8197 10.9043 8.3087 13.0402 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 9.95045 16.7146 7.83711 13.3209 6.71524 8.03712 11.8822 4.9377 6.57921 9.9183 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 6.8902 5.86656 6.14323 9.58347 8.29262 5.82131 6.12402 5.24812 7.21655 11.9497 numMergedOcc 0
