0 mol 21 unq 0 iso 0 dist 9.24767 5.40424 9.35562 8.90496 3.76294 6.93185 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 6.17708 6.16075 7.30265 8.4436 3.91611 6.47855 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.55809 4.94442 7.5228 11.6742 14.1568 9.0008 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.28726 11.1361 9.4866 16.166 10.1364 7.03226 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.91797 4.34749 4.44979 5.21813 3.92737 6.0129 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 6.37954 4.34749 6.61111 5.21813 3.94967 6.0129 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 8.54304 10.4008 7.65255 14.1494 6.44969 7.52142 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 6.6014 5.21787 6.47811 12.1604 10.5938 7.75012 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 6.6014 5.21787 6.47811 4.89256 5.91388 6.98158 numMergedOcc 0
9 mol 128 unq 2 iso 0 dist 8.88633 9.89034 6.47811 17.2893 10.5938 7.75012 numMergedOcc 0
10 mol 128 unq 3 iso 0 dist 8.88633 9.89034 6.47811 10.5911 5.91388 6.98158 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 7.32009 5.97803 6.84165 5.08086 5.46083 6.87262 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.76446 5.2893 6.44575 6.08299 11.5269 8.55616 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.14652 5.2893 7.43401 6.08299 6.93712 8.55616 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 8.46046 5.5203 8.62366 12.9505 16.0084 8.41245 numMergedOcc 0
15 mol 173 unq 1 iso 0 dist 8.46046 5.5203 8.62366 8.76228 11.3761 6.64779 numMergedOcc 0
16 mol 173 unq 2 iso 0 dist 7.48065 5.5203 6.52508 12.9505 11.2063 8.41245 numMergedOcc 0
17 mol 173 unq 3 iso 0 dist 7.48065 5.5203 6.52508 8.76228 4.60149 6.64779 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.95209 9.48246 7.25339 6.0685 3.87082 8.97471 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 6.51936 13.7382 8.66162 16.2848 9.96173 9.55606 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 9.6753 11.3913 5.93063 19.2183 10.1358 9.47117 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 8.56943 9.68695 8.27411 12.0552 11.1693 7.43663 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 5.78671 6.66782 9.33476 11.1812 10.1372 7.12785 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 7.64703 11.6682 6.66172 10.3335 5.39432 9.20749 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 9.88198 7.9872 6.0283 5.02385 9.85432 9.24367 numMergedOcc 0
