0 mol 7 unq 0 iso 0 dist 8.8576 4.44694 5.51421 10.4545 8.41585 10.6104 6.68629 7.78327 3.52338 13.5229 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.34549 11.0672 9.7522 4.76147 8.34347 15.0931 8.82979 7.98005 3.30063 12.5438 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 7.34549 11.0672 9.7522 4.76147 8.34347 15.0931 3.63999 8.31381 8.44515 8.39015 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.09068 15.3987 9.7522 6.30129 8.34347 15.0931 12.3884 7.98005 3.30063 12.5438 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.09068 15.3987 9.7522 6.30129 8.34347 15.0931 11.7163 8.31381 8.44515 8.39015 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 9.72289 18.4863 9.7522 5.93227 8.34347 15.0931 15.7944 7.98005 3.30063 12.5438 numMergedOcc 0
6 mol 26 unq 5 iso 0 dist 9.72289 18.4863 9.7522 5.93227 8.34347 15.0931 13.5789 8.31381 8.44515 8.39015 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.47617 12.345 8.38387 15.1595 8.80331 11.0096 14.2755 9.02471 4.15592 12.6657 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.47617 12.345 8.38387 8.14351 6.20293 11.8286 14.2755 9.02471 4.15592 14.0654 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 4.31067 9.91645 5.9747 9.04817 5.08437 4.75138 11.3701 7.92856 4.48773 8.29813 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 4.31067 9.91645 5.9747 4.70157 6.48948 10.4417 11.3701 7.92856 4.48773 13.2057 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 4.31067 9.91645 5.9747 6.21302 6.10456 11.3628 11.3701 7.92856 4.48773 12.7473 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 4.31067 7.54723 4.50572 9.04817 5.08437 6.88489 11.3701 7.92856 3.8493 8.29813 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 4.31067 7.54723 4.50572 4.70157 6.48948 9.63267 11.3701 7.92856 3.8493 13.2057 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 4.31067 7.54723 4.50572 6.21302 6.10456 9.82583 11.3701 7.92856 3.8493 12.7473 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 8.29529 6.68968 8.89481 7.77295 5.86073 4.36935 3.7042 7.02367 5.96967 5.37655 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 8.29529 6.68968 8.89481 7.77295 5.86073 4.36935 12.8999 9.30832 7.52951 5.46207 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 8.20009 11.9512 7.04864 10.7527 8.75408 4.5543 8.24077 6.42623 4.74539 5.6295 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 8.20009 11.9512 7.04864 10.7527 8.75408 4.5543 3.79384 8.95899 11.4443 8.97962 numMergedOcc 0
19 mol 120 unq 2 iso 0 dist 8.20009 11.9512 7.04864 5.6257 6.44653 6.81949 8.24077 6.42623 4.74539 3.824 numMergedOcc 0
20 mol 120 unq 3 iso 0 dist 8.20009 11.9512 7.04864 5.6257 6.44653 6.81949 3.79384 8.95899 11.4443 4.96885 numMergedOcc 0
21 mol 120 unq 4 iso 0 dist 8.14799 10.1556 7.04864 9.8469 8.75408 4.5543 5.56137 6.42623 4.74539 5.6295 numMergedOcc 0
22 mol 120 unq 5 iso 0 dist 8.14799 10.1556 7.04864 9.8469 8.75408 4.5543 6.80121 8.95899 11.4443 8.97962 numMergedOcc 0
23 mol 120 unq 6 iso 0 dist 8.14799 10.1556 7.04864 5.0256 6.44653 6.81949 5.56137 6.42623 4.74539 3.824 numMergedOcc 0
24 mol 120 unq 7 iso 0 dist 8.14799 10.1556 7.04864 5.0256 6.44653 6.81949 6.80121 8.95899 11.4443 4.96885 numMergedOcc 0
25 mol 122 unq 0 iso 0 dist 8.054 4.79314 6.78949 9.57532 8.37808 7.54208 10.2953 4.42563 6.80573 7.90729 numMergedOcc 0
26 mol 122 unq 1 iso 0 dist 8.054 5.45124 9.40018 9.57532 8.37808 11.0216 10.2953 4.42563 12.9961 7.90729 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 9.0847 11.6766 8.07256 14.8573 8.56324 10.4039 5.0146 9.00072 12.8334 12.2243 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 9.0847 11.6766 8.07256 8.41711 6.70283 11.1874 5.0146 9.00072 12.8334 4.73288 numMergedOcc 0
29 mol 152 unq 2 iso 0 dist 9.0847 11.6766 8.07256 4.82496 7.16148 8.36099 5.0146 9.00072 12.8334 4.70284 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 7.94694 16.3384 9.36079 5.1071 7.7366 13.6173 5.69659 4.51255 12.9317 7.83734 numMergedOcc 0
31 mol 206 unq 1 iso 0 dist 7.94694 13.2408 7.42904 5.1071 7.7366 9.96254 5.69659 4.51255 10.8126 7.83734 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 8.84872 7.44501 9.11256 4.28841 5.4638 6.84447 3.90737 8.08965 3.76405 4.75609 numMergedOcc 0
33 mol 235 unq 1 iso 0 dist 8.84872 10.7196 7.08539 4.28841 5.4638 7.38431 3.90737 8.08965 12.0808 4.75609 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 9.64889 14.9226 9.29635 15.4648 9.7748 10.8075 13.4595 4.9764 7.31817 11.8607 numMergedOcc 0
35 mol 277 unq 1 iso 0 dist 9.64889 14.9226 9.29635 15.4648 9.7748 10.8075 13.6295 6.36559 3.91224 10.9137 numMergedOcc 0
