0 mol 26 unq 0 iso 0 dist 8.84763 7.19483 9.27369 10.6287 7.3022 10.1809 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.74242 6.04457 8.99751 9.01242 7.22361 10.7581 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.74242 6.04457 8.99751 7.89464 6.15893 6.77783 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.74242 4.13259 9.30674 9.01242 7.22361 11.3546 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 9.74242 4.13259 9.30674 7.89464 6.15893 5.24037 numMergedOcc 0
5 mol 26 unq 5 iso 0 dist 9.74242 5.42557 8.25567 9.01242 7.22361 10.6733 numMergedOcc 0
6 mol 26 unq 6 iso 0 dist 9.74242 5.42557 8.25567 7.89464 6.15893 4.82659 numMergedOcc 0
7 mol 27 unq 0 iso 0 dist 9.61335 12.3141 5.66743 12.5648 7.60283 11.6846 numMergedOcc 0
8 mol 27 unq 1 iso 0 dist 9.61335 15.7363 7.42669 12.5648 7.60283 8.05284 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 7.63526 5.22908 6.94677 8.05989 7.46994 7.43727 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 6.02731 13.7005 8.2746 7.29999 6.04903 12.1095 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.33276 5.13555 9.16592 11.3473 7.09065 7.62048 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 7.27601 12.2964 8.27794 16.3901 9.83981 8.32999 numMergedOcc 0
13 mol 114 unq 1 iso 0 dist 7.27601 12.2964 8.27794 11.226 6.13559 5.28095 numMergedOcc 0
14 mol 114 unq 2 iso 0 dist 7.27601 12.2964 8.27794 7.41949 6.51395 11.5542 numMergedOcc 0
15 mol 146 unq 0 iso 0 dist 6.28491 3.96561 7.13378 10.8638 9.44952 10.9218 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 7.91633 12.5923 9.80819 15.2878 9.73927 11.6995 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 8.11909 12.2354 9.81665 15.4689 9.66129 11.8035 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 8.80059 9.52243 8.90876 8.27116 7.60254 6.39941 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 7.3879 3.75723 9.38737 6.76195 8.41245 10.5012 numMergedOcc 0
20 mol 173 unq 1 iso 0 dist 9.70728 15.2976 9.51638 6.76195 6.64779 12.905 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 6.38654 5.64063 7.26887 12.2552 7.04753 11.0995 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 9.77185 10.1782 7.26887 5.27441 7.04753 11.0995 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 5.50061 4.38729 9.28598 8.63376 8.00537 10.8036 numMergedOcc 0
24 mol 241 unq 1 iso 0 dist 9.08025 6.14674 9.28598 5.64355 8.00537 10.8036 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 7.24253 14.1451 8.55613 5.32118 7.12785 10.4928 numMergedOcc 0
26 mol 243 unq 1 iso 0 dist 7.24253 14.1451 8.55613 11.4546 6.66959 4.20431 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 8.31165 7.30732 9.21145 13.9147 7.48235 10.3447 numMergedOcc 0
