0 mol 8 unq 0 iso 0 dist 7.58816 8.79328 4.92734 14.7448 7.35767 8.96553 8.5845 6.57999 8.4069 9.62879 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.58816 8.5845 6.57999 14.7448 7.35767 9.62879 8.79328 4.92734 8.4069 8.96553 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 9.35488 14.4041 9.31271 18.1123 10.3326 9.04767 17.6852 13.6817 5.67201 9.7022 numMergedOcc 0
3 mol 14 unq 1 iso 0 dist 9.35488 14.4041 9.31271 18.1123 10.3326 9.04767 18.9403 13.1379 4.53725 9.58196 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 8.34361 13.2619 6.54183 5.97635 5.65405 8.10861 10.7219 14.4402 16.3192 9.5589 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 8.34361 13.2619 6.54183 5.97635 5.65405 8.10861 6.76462 10.5929 14.2075 6.83299 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.87592 6.59772 8.97043 12.6493 11.8721 9.33865 10.9437 12.9647 7.69052 5.83991 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 5.87592 6.59772 8.97043 4.98864 5.19652 6.11741 10.9437 12.9647 7.69052 7.88312 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 8.37388 4.86477 8.97043 13.7044 11.8721 9.33865 12.0354 12.9647 7.69052 5.83991 numMergedOcc 0
9 mol 115 unq 3 iso 0 dist 8.37388 4.86477 8.97043 7.95871 5.19652 6.11741 12.0354 12.9647 7.69052 7.88312 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 8.85708 4.60144 8.81172 11.3462 5.34484 9.84395 13.5681 11.6152 13.1058 7.90328 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 6.80942 4.94973 5.68636 11.1867 7.92939 6.43582 11.7329 12.7322 7.66392 7.46303 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 6.64749 5.97308 5.16813 14.549 11.0854 8.87694 13.6887 14.4578 9.50685 9.09754 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 8.18597 5.92777 7.71761 8.7511 5.841 7.55216 12.4497 14.1483 9.51866 9.34734 numMergedOcc 0
14 mol 227 unq 1 iso 0 dist 8.18597 5.92777 7.71761 8.7511 5.841 7.55216 14.2737 12.9898 12.4689 7.22101 numMergedOcc 0
15 mol 227 unq 2 iso 0 dist 8.18597 5.92777 7.71761 8.7511 5.841 7.55216 12.7838 14.1659 12.9332 8.65997 numMergedOcc 0
16 mol 227 unq 3 iso 0 dist 8.18597 5.92777 7.71761 8.7511 5.841 7.55216 5.18659 9.8971 4.48529 7.56888 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 5.83646 5.60375 4.87108 10.9193 7.45873 6.22714 6.45589 7.64276 5.34096 7.31233 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 5.83646 6.45589 7.64276 10.9193 7.45873 7.31233 5.60375 4.87108 5.34096 6.22714 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 6.41167 7.52881 8.21585 5.73834 5.13233 6.42289 6.48867 10.7821 7.26417 6.60405 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 5.16838 4.62072 5.75874 5.90645 5.20592 8.53687 10.4985 10.9903 10.582 8.13497 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 9.89289 9.37952 7.31993 17.2826 10.4451 8.46116 13.8624 12.3168 5.40809 8.33638 numMergedOcc 0
