0 mol 11 unq 0 iso 0 dist 6.56599 12.6523 9.09091 7.27588 5.25331 6.51674 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.35021 12.8869 8.73067 7.16699 4.79838 6.76736 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.24149 5.60332 7.22361 3.6629 6.99742 6.36636 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 8.69877 4.39894 7.9067 9.09595 5.34723 5.99096 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.53262 8.43904 9.33027 7.57554 9.26362 9.87332 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 9.53262 8.43904 9.33027 10.0741 7.05327 6.35031 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 9.53262 4.81608 7.32707 7.57554 9.26362 3.9873 numMergedOcc 0
7 mol 34 unq 3 iso 0 dist 9.53262 4.81608 7.32707 10.0741 7.05327 5.50427 numMergedOcc 0
8 mol 34 unq 4 iso 0 dist 9.53262 10.5063 7.90574 7.57554 9.26362 4.5357 numMergedOcc 0
9 mol 34 unq 5 iso 0 dist 9.53262 10.5063 7.90574 10.0741 7.05327 3.54863 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.96647 5.00474 7.10439 4.40015 7.78587 7.98468 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 8.17967 9.40625 9.63599 4.13187 9.11491 5.84075 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 9.20053 6.30715 7.33541 14.5375 5.45882 11.746 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 9.20053 6.30715 7.33541 13.2977 4.57487 9.9322 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 9.9778 9.72019 6.13559 13.1839 8.61909 3.67473 numMergedOcc 0
15 mol 114 unq 1 iso 0 dist 9.36502 11.1547 6.13559 10.9333 8.61909 3.67473 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 8.31955 6.2875 6.49383 5.94177 6.28029 4.13755 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.27859 4.1584 4.25566 6.1672 6.50336 3.80087 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 6.27859 9.5453 7.31037 6.1672 6.50336 3.80763 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 8.37295 4.11501 8.75562 10.3186 9.68074 8.79381 numMergedOcc 0
20 mol 141 unq 3 iso 0 dist 8.37295 7.22151 8.00449 10.3186 9.68074 5.16197 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 6.35305 4.92804 7.10526 6.42785 4.51124 3.85186 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 6.35305 4.92804 7.10526 10.9716 8.41517 9.61866 numMergedOcc 0
23 mol 204 unq 2 iso 0 dist 9.23348 5.04697 7.10526 7.66776 4.51124 3.85186 numMergedOcc 0
24 mol 204 unq 3 iso 0 dist 9.23348 5.04697 7.10526 8.03926 8.41517 9.61866 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 9.94653 5.0625 7.10413 14.705 8.49913 9.85068 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 7.97572 4.86592 7.10413 13.3914 8.49913 9.85068 numMergedOcc 0
27 mol 237 unq 0 iso 0 dist 6.56421 6.45163 5.98039 10.1524 8.33629 4.50383 numMergedOcc 0
28 mol 237 unq 1 iso 0 dist 6.56421 5.11844 9.48932 10.1524 8.33629 9.41259 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 9.84931 5.7899 8.08764 10.7337 5.50017 7.18773 numMergedOcc 0
30 mol 239 unq 1 iso 0 dist 5.58605 5.7899 9.01462 10.7337 9.99181 7.18773 numMergedOcc 0
31 mol 250 unq 0 iso 0 dist 9.45903 8.13148 5.97993 7.35853 8.73744 4.14699 numMergedOcc 0
32 mol 250 unq 1 iso 0 dist 8.51531 8.13148 6.44252 7.35853 6.61917 4.14699 numMergedOcc 0
33 mol 294 unq 0 iso 0 dist 9.13209 8.55409 8.87606 14.0481 9.33755 8.56972 numMergedOcc 0
34 mol 294 unq 1 iso 0 dist 9.13209 8.55409 8.87606 12.1648 6.25334 9.32087 numMergedOcc 0
