0 mol 56 unq 0 iso 0 dist 8.78393 7.59663 3.73188 4.27997 8.0757 8.40931 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 8.78393 7.59663 3.73188 11.9782 9.8958 12.9423 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.49371 5.17291 7.84269 11.3498 9.26231 13.7052 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 5.05941 8.81569 7.84269 8.10722 9.26231 13.7052 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 7.40481 9.58693 4.75433 11.3093 6.62952 5.85841 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 7.40481 9.58693 4.75433 6.41542 4.3521 6.78839 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 7.40481 9.48388 16.7643 11.3093 6.62952 19.3985 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 7.40481 9.48388 16.7643 6.41542 4.3521 15.0657 numMergedOcc 0
8 mol 101 unq 0 iso 0 dist 8.70947 8.23251 4.59715 8.24111 9.60223 12.151 numMergedOcc 0
9 mol 101 unq 1 iso 0 dist 8.70947 8.23251 4.59715 5.23253 7.11476 9.3485 numMergedOcc 0
10 mol 101 unq 2 iso 0 dist 8.70947 7.42893 9.80321 8.24111 9.60223 14.4782 numMergedOcc 0
11 mol 101 unq 3 iso 0 dist 8.70947 7.42893 9.80321 5.23253 7.11476 8.97911 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.32304 7.49404 7.47571 6.8279 6.45169 9.33945 numMergedOcc 0
13 mol 170 unq 0 iso 0 dist 5.13315 7.665 4.81264 5.2781 9.15159 10.867 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.39237 5.47189 13.4775 15.2663 9.60838 20.6876 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 6.22734 7.18765 7.17757 4.77702 7.69352 10.0438 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 6.22734 7.41091 5.75906 4.77702 7.69352 11.3038 numMergedOcc 0
17 mol 198 unq 0 iso 0 dist 5.42463 7.96375 6.51118 5.71019 7.89026 7.75394 numMergedOcc 0
18 mol 228 unq 0 iso 0 dist 8.27678 8.89311 4.83458 5.37564 8.09971 11.2271 numMergedOcc 0
19 mol 228 unq 1 iso 0 dist 9.75578 9.46214 10.0045 6.19505 8.09971 13.0743 numMergedOcc 0
20 mol 228 unq 2 iso 0 dist 8.73196 9.51602 5.34643 10.0503 8.09971 12.8766 numMergedOcc 0
21 mol 228 unq 3 iso 0 dist 8.52422 9.46214 5.34702 9.3381 6.97798 12.0258 numMergedOcc 0
22 mol 228 unq 4 iso 0 dist 8.26664 8.81885 4.84511 5.52794 6.97798 10.3429 numMergedOcc 0
23 mol 228 unq 5 iso 0 dist 9.68484 9.51602 9.98626 7.50953 6.97798 13.6408 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 8.92649 5.57621 12.7003 5.14928 8.00841 8.98668 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 6.0854 8.19458 7.07529 5.52989 8.1195 12.648 numMergedOcc 0
26 mol 243 unq 1 iso 0 dist 6.0854 9.45133 9.86055 5.52989 8.1195 12.844 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 6.88579 9.0157 9.37444 6.08224 5.70674 7.72708 numMergedOcc 0
28 mol 249 unq 1 iso 0 dist 6.88579 9.14351 14.2876 6.08224 5.70674 11.455 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 5.37738 5.37894 8.31543 10.6569 6.40125 14.0486 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 5.37738 5.37894 8.31543 4.09948 7.25282 8.82899 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 8.36667 9.60619 9.98703 4.72279 8.71966 13.1137 numMergedOcc 0
32 mol 279 unq 1 iso 0 dist 6.74021 9.60619 11.6718 5.33357 8.52827 10.3817 numMergedOcc 0
33 mol 279 unq 2 iso 0 dist 6.74021 9.60619 11.6718 9.67694 7.14122 14.5769 numMergedOcc 0
