0 mol 7 unq 0 iso 0 dist 6.66645 12.1978 5.72491 12.3242 7.29541 7.15434 13.4908 10.1959 8.72114 10.7937 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.70793 8.93161 7.3915 11.4079 9.91124 4.92734 11.2348 5.65816 8.53529 7.97177 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 8.58057 9.16445 6.77886 4.76164 6.5705 8.96238 7.52378 8.25666 7.16773 4.936 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 7.56041 12.1948 5.88354 17.8586 10.8678 7.00285 14.3375 8.53212 5.59328 4.81103 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 7.56041 12.1948 5.88354 19.7665 13.5865 8.02354 14.3375 8.53212 5.59328 7.22196 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 8.96048 8.71142 7.12017 15.1678 7.04774 8.92577 15.1918 9.38256 7.38135 5.48646 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 8.96048 8.71142 7.12017 10.5973 10.3606 9.56324 15.1918 9.38256 7.38135 11.0196 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.2746 9.23197 8.56342 11.0828 8.9683 8.62648 13.4131 6.96805 6.52773 9.25614 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 9.2746 9.23197 8.56342 11.0828 8.9683 8.62648 12.3107 13.3975 9.23858 5.53673 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.78772 5.64577 7.86572 5.77703 7.97183 9.47675 6.35397 5.38571 9.97343 9.00056 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 8.01082 9.43922 5.60393 13.4086 6.37333 6.15806 14.5739 8.46033 5.44002 5.07333 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 9.76706 7.19612 5.37446 10.6983 3.99796 8.71409 11.9541 7.1777 7.10826 9.069 numMergedOcc 0
12 mol 212 unq 0 iso 0 dist 8.27217 7.30329 8.74585 10.9879 11.0448 9.47932 16.0468 15.1535 9.74144 9.63106 numMergedOcc 0
13 mol 212 unq 1 iso 0 dist 8.27217 7.30329 8.74585 10.9879 11.0448 9.47932 11.23 4.21442 8.69988 10.6561 numMergedOcc 0
14 mol 212 unq 2 iso 0 dist 8.27217 7.30329 8.74585 10.9879 11.0448 9.47932 11.3299 6.69225 8.55903 15.0782 numMergedOcc 0
15 mol 212 unq 3 iso 0 dist 8.27217 7.30329 8.74585 10.9879 11.0448 9.47932 12.8189 10.1399 7.15603 7.56072 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 6.52129 5.65307 5.52379 5.42362 8.09178 9.38753 8.03226 5.83386 7.10685 6.77421 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 6.06813 9.61803 7.67245 16.3987 12.325 7.58272 16.1228 13.537 6.62841 4.36832 numMergedOcc 0
