0 mol 7 unq 0 iso 0 dist 8.41585 9.68596 14.7759 9.87885 12.8323 10.1841 13.5229 7.78327 16.2245 17.9276 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 8.66248 7.49157 11.4816 12.089 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 6.73521 7.73794 12.7944 10.4905 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.03987 6.85556 5.68392 7.99919 4.77954 6.19011 9.92243 7.03372 11.386 11.6392 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.95579 7.54568 10.2865 7.7068 6.36397 4.93735 8.37717 9.01812 15.3758 13.4949 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 9.03572 9.49454 13.3662 8.27883 4.99174 15.7954 4.73066 7.51733 13.7457 4.3439 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 9.03572 9.49454 13.3662 5.75428 4.46005 10.4348 4.73066 7.51733 13.7457 6.05855 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 9.03572 9.49454 13.3662 8.57395 8.28518 5.88327 4.73066 7.51733 13.7457 11.1729 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 9.03572 9.49454 13.3662 9.85409 15.917 3.96826 4.73066 7.51733 13.7457 14.5416 numMergedOcc 0
9 mol 95 unq 4 iso 0 dist 8.83255 9.49454 12.0666 8.27883 8.67311 15.7954 4.73066 9.01607 13.7457 4.3439 numMergedOcc 0
10 mol 95 unq 5 iso 0 dist 8.83255 9.49454 12.0666 5.75428 3.94293 10.4348 4.73066 9.01607 13.7457 6.05855 numMergedOcc 0
11 mol 95 unq 6 iso 0 dist 8.83255 9.49454 12.0666 8.57395 9.22202 5.88327 4.73066 9.01607 13.7457 11.1729 numMergedOcc 0
12 mol 95 unq 7 iso 0 dist 8.83255 9.49454 12.0666 9.85409 13.7484 3.96826 4.73066 9.01607 13.7457 14.5416 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 5.10496 3.9764 3.94967 8.29813 7.92856 13.6994 11.36 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 6.10456 4.47349 7.06961 7.54889 10.4782 3.92737 12.7473 7.92856 13.6994 17.395 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 12.7473 7.92856 13.6994 11.36 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 8.80934 5.70579 7.1951 13.0914 9.59585 9.34113 4.30875 numMergedOcc 0
17 mol 113 unq 1 iso 0 dist 5.86073 8.8822 10.1816 8.80934 5.70579 7.1951 12.5818 9.7073 14.2952 8.65807 numMergedOcc 0
18 mol 113 unq 2 iso 0 dist 5.86073 9.66219 8.42718 8.80934 5.70579 3.84573 13.0914 9.59585 5.35711 4.30875 numMergedOcc 0
19 mol 113 unq 3 iso 0 dist 5.86073 9.66219 8.42718 8.80934 5.70579 3.84573 12.5818 9.7073 11.8845 8.65807 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 7.36975 13.1926 12.207 6.75249 8.64905 13.6073 11.7801 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 5.99315 7.78652 6.48978 5.40637 7.39837 10.0079 6.75249 8.64905 13.6073 6.60366 numMergedOcc 0
22 mol 143 unq 2 iso 0 dist 5.99315 8.91301 5.20762 7.36975 13.1926 14.7271 6.75249 8.64905 12.9862 11.7801 numMergedOcc 0
23 mol 143 unq 3 iso 0 dist 5.99315 8.91301 5.20762 5.40637 7.39837 9.05366 6.75249 8.64905 12.9862 6.60366 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 9.87651 9.67741 13.0123 7.20495 7.87971 5.43662 12.8624 5.36671 18.0601 13.0085 numMergedOcc 0
25 mol 167 unq 1 iso 0 dist 9.87651 9.67741 13.0123 9.2289 12.0033 8.91275 12.8624 5.36671 18.0601 15.3259 numMergedOcc 0
26 mol 167 unq 2 iso 0 dist 9.87651 9.67741 13.0123 7.02548 11.6011 5.95858 12.8624 5.36671 18.0601 15.6111 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 7.26832 6.03688 12.4957 6.52816 13.514 5.28417 13.3822 7.13783 17.7232 19.8921 numMergedOcc 0
