0 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 6.69806 12.5461 8.53135 5.3571 7.71617 9.78134 11.2036 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.38928 5.35252 5.03338 10.6637 14.2843 9.79657 5.76698 12.5606 8.8645 9.60708 numMergedOcc 0
2 mol 158 unq 0 iso 0 dist 7.07348 9.96635 10.9312 17.5374 17.9783 8.95432 7.76298 12.0644 7.68074 11.7299 numMergedOcc 0
3 mol 158 unq 1 iso 0 dist 7.07348 9.96635 10.9312 17.5374 17.9783 8.95432 8.17573 13.0344 9.1854 17.16 numMergedOcc 0
4 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 11.315 13.7617 9.60838 13.4486 13.507 8.09915 13.1601 numMergedOcc 0
5 mol 210 unq 0 iso 0 dist 6.41444 8.05949 7.48216 11.5037 12.9027 8.50367 10.8542 10.0723 7.80421 4.61281 numMergedOcc 0
6 mol 210 unq 1 iso 0 dist 6.41444 8.05949 7.48216 11.5037 12.9027 8.50367 14.6074 16.6086 9.71107 6.94265 numMergedOcc 0
7 mol 210 unq 2 iso 0 dist 6.41444 8.05949 7.48216 11.5037 12.9027 8.50367 13.6787 16.5751 9.7449 9.08763 numMergedOcc 0
8 mol 210 unq 3 iso 0 dist 6.41444 8.05949 7.48216 15.7959 16.0853 8.94889 10.8542 10.0723 7.80421 10.3044 numMergedOcc 0
9 mol 210 unq 4 iso 0 dist 6.41444 8.05949 7.48216 15.7959 16.0853 8.94889 14.6074 16.6086 9.71107 4.3844 numMergedOcc 0
10 mol 210 unq 5 iso 0 dist 6.41444 8.05949 7.48216 15.7959 16.0853 8.94889 13.6787 16.5751 9.7449 6.85132 numMergedOcc 0
11 mol 223 unq 0 iso 0 dist 9.29204 8.87456 8.36102 4.68566 9.86372 7.76053 13.934 17.9562 9.94483 11.7479 numMergedOcc 0
12 mol 223 unq 1 iso 0 dist 9.29204 8.87456 8.36102 11.1044 15.8519 9.65728 13.934 17.9562 9.94483 5.99386 numMergedOcc 0
13 mol 223 unq 2 iso 0 dist 9.14789 8.87456 5.43913 4.68566 7.70946 7.76053 13.934 14.497 9.94483 11.7479 numMergedOcc 0
14 mol 223 unq 3 iso 0 dist 9.14789 8.87456 5.43913 11.1044 12.2562 9.65728 13.934 14.497 9.94483 5.99386 numMergedOcc 0
15 mol 223 unq 4 iso 0 dist 7.80764 8.87456 13.9763 4.68566 11.3699 7.76053 13.934 15.509 9.94483 11.7479 numMergedOcc 0
16 mol 223 unq 5 iso 0 dist 7.80764 8.87456 13.9763 11.1044 14.6013 9.65728 13.934 15.509 9.94483 5.99386 numMergedOcc 0
17 mol 223 unq 6 iso 0 dist 5.75896 8.87456 13.8469 4.68566 10.1945 7.76053 13.934 19.0188 9.94483 11.7479 numMergedOcc 0
18 mol 223 unq 7 iso 0 dist 5.75896 8.87456 13.8469 11.1044 16.5446 9.65728 13.934 19.0188 9.94483 5.99386 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 8.71944 8.82663 5.45067 11.6942 12.0757 7.35677 4.22586 9.65116 7.92513 10.7796 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 6.51428 7.79787 13.4155 8.64762 13.0526 6.2667 8.65358 13.2708 8.93589 4.69103 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 6.13333 6.04688 5.70674 6.46469 9.1515 8.56493 6.46947 numMergedOcc 0
22 mol 249 unq 1 iso 0 dist 9.04715 3.67935 5.75331 6.13333 9.50034 5.70674 6.46469 14.1233 8.56493 6.46947 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 13.8618 14.152 8.43856 4.53492 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 8.0935 7.14859 8.13485 10.6005 15.8403 8.56533 13.8618 14.152 8.43856 9.26749 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 13.8618 14.152 8.43856 4.53492 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 8.0935 7.14859 8.13485 10.6005 15.8403 8.56533 13.8618 14.152 8.43856 9.26749 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 13.8618 14.152 8.43856 4.53492 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 8.0935 7.14859 8.13485 10.6005 15.8403 8.56533 13.8618 14.152 8.43856 9.26749 numMergedOcc 0
