0 mol 11 unq 0 iso 0 dist 6.84216 8.05213 4.79838 11.0597 6.83186 3.56133 5.96346 6.76736 8.73067 10.0282 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.58046 7.85924 5.25331 10.7048 6.83186 3.66215 6.35398 6.51674 9.09091 9.81983 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.15542 4.84988 8.44353 3.63758 8.65524 5.67204 11.8552 11.6319 7.34031 12.1255 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.15542 4.84988 8.44353 6.88863 8.22812 4.28224 11.8552 11.6319 7.34031 7.11491 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.89047 4.84988 6.11249 3.63758 8.96151 5.67204 11.8552 5.39812 7.34031 12.1255 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 8.89047 4.84988 6.11249 6.88863 4.22002 4.28224 11.8552 5.39812 7.34031 7.11491 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 8.89003 4.84988 7.86326 3.63758 9.02535 5.67204 11.8552 8.55482 7.34031 12.1255 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 8.89003 4.84988 7.86326 6.88863 5.77855 4.28224 11.8552 8.55482 7.34031 7.11491 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 5.25027 7.50972 7.90338 3.83059 4.15789 4.35906 8.77598 5.25584 7.87237 6.72546 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 4.37025 7.50972 7.08462 8.95695 6.20144 4.89844 8.77598 5.79629 7.87237 7.38548 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 4.37025 7.50972 7.08462 3.83059 4.808 4.35906 8.77598 5.79629 7.87237 6.72546 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 7.69926 10.7963 5.61151 6.35602 6.67137 10.803 11.5566 5.22259 6.05495 8.04853 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.69926 10.7963 5.61151 13.5979 9.78707 5.49707 11.5566 5.22259 6.05495 11.3824 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 5.85237 10.7963 6.54289 3.88489 7.07839 11.6623 11.5566 7.66499 6.05495 14.0171 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 5.85237 10.7963 6.54289 7.33192 9.09711 15.6048 11.5566 7.66499 6.05495 15.5788 numMergedOcc 0
15 mol 85 unq 4 iso 0 dist 5.85237 10.7963 6.54289 6.35602 7.04244 10.803 11.5566 7.66499 6.05495 8.04853 numMergedOcc 0
16 mol 85 unq 5 iso 0 dist 5.85237 10.7963 6.54289 5.78841 7.91193 13.4097 11.5566 7.66499 6.05495 15.4163 numMergedOcc 0
17 mol 85 unq 6 iso 0 dist 5.85237 10.7963 6.54289 13.5979 9.63449 5.49707 11.5566 7.66499 6.05495 11.3824 numMergedOcc 0
18 mol 85 unq 7 iso 0 dist 9.11768 7.79293 6.54289 9.22202 7.07839 11.6623 10.8523 7.66499 6.05495 14.0171 numMergedOcc 0
19 mol 85 unq 8 iso 0 dist 9.11768 7.79293 6.54289 10.5854 7.04244 10.803 10.8523 7.66499 6.05495 8.04853 numMergedOcc 0
20 mol 85 unq 9 iso 0 dist 9.11768 7.79293 6.54289 12.2858 7.91193 13.4097 10.8523 7.66499 6.05495 15.4163 numMergedOcc 0
21 mol 85 unq 10 iso 0 dist 9.11768 7.79293 6.54289 10.0606 9.63449 5.49707 10.8523 7.66499 6.05495 11.3824 numMergedOcc 0
22 mol 85 unq 11 iso 0 dist 9.11768 7.79293 6.54289 15.5226 9.09711 15.6048 10.8523 7.66499 6.05495 15.5788 numMergedOcc 0
23 mol 111 unq 0 iso 0 dist 5.98809 7.59143 7.75479 6.34994 9.34782 11.4065 12.9634 8.11413 9.10794 16.6071 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 8.99912 8.69934 5.45882 6.54263 4.49669 5.09579 12.4163 11.746 7.33541 9.03527 numMergedOcc 0
25 mol 113 unq 1 iso 0 dist 8.99912 8.69934 5.45882 3.92558 5.88896 5.46299 12.4163 11.746 7.33541 9.60837 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 9.3273 4.29204 9.68074 6.80544 5.60448 9.53687 11.9341 8.79381 8.75562 12.9127 numMergedOcc 0
27 mol 141 unq 1 iso 0 dist 9.3273 4.29204 9.68074 6.80544 5.60448 9.53687 9.87644 5.16197 8.00449 9.62774 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 8.99891 5.44503 8.08798 6.75249 4.3855 4.19541 9.14266 4.5497 9.30424 7.2932 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 5.30118 7.23534 5.50067 3.65199 4.68668 8.99193 9.65934 5.39801 5.59555 9.25759 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 8.98698 11.7115 5.50067 5.70614 4.68668 8.99193 14.0537 5.39801 5.59555 9.25759 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 5.30118 7.23534 5.50067 3.65199 4.68668 8.99193 9.65934 5.39801 5.59555 9.25759 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 8.98698 11.7115 5.50067 5.70614 4.68668 8.99193 14.0537 5.39801 5.59555 9.25759 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 5.30118 7.23534 5.50067 3.65199 4.68668 8.99193 9.65934 5.39801 5.59555 9.25759 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 8.98698 11.7115 5.50067 5.70614 4.68668 8.99193 14.0537 5.39801 5.59555 9.25759 numMergedOcc 0
