0 mol 44 unq 0 iso 0 dist 7.85573 9.64095 7.42925 6.03997 7.49423 11.1199 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.21423 4.83412 7.42925 6.54853 7.49423 11.1199 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.55031 5.65462 9.81193 6.54685 5.2568 6.67753 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 7.89201 3.72318 9.22331 6.42684 9.07614 3.23074 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.87177 4.53047 7.45801 15.6688 6.8173 12.0718 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.87177 14.8438 5.30477 15.6688 6.8173 4.1846 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.70925 7.05537 7.45801 8.22845 6.8173 12.0718 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 6.70925 7.25285 5.30477 8.22845 6.8173 4.1846 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 8.95756 11.9468 7.45801 6.96897 6.8173 12.0718 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 8.95756 5.90782 5.30477 6.96897 6.8173 4.1846 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.93688 11.6798 7.2131 13.7708 9.22123 3.77771 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 9.93688 11.6798 7.2131 14.5838 7.36335 9.04084 numMergedOcc 0
12 mol 92 unq 2 iso 0 dist 9.93688 12.656 7.44343 13.7708 9.22123 9.8974 numMergedOcc 0
13 mol 92 unq 3 iso 0 dist 9.93688 12.656 7.44343 14.5838 7.36335 3.87825 numMergedOcc 0
14 mol 92 unq 4 iso 0 dist 9.88184 11.0631 7.2131 11.0283 9.22123 3.77771 numMergedOcc 0
15 mol 92 unq 5 iso 0 dist 9.88184 11.0631 7.2131 16.6198 7.36335 9.04084 numMergedOcc 0
16 mol 92 unq 6 iso 0 dist 9.88184 14.9487 7.44343 11.0283 9.22123 9.8974 numMergedOcc 0
17 mol 92 unq 7 iso 0 dist 9.88184 14.9487 7.44343 16.6198 7.36335 3.87825 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 8.89412 7.25148 9.39811 5.78374 6.94015 7.16011 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 6.95914 13.2639 7.35385 15.8449 9.80185 3.80763 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 6.95914 10.9097 8.35864 15.8449 9.80185 9.98068 numMergedOcc 0
21 mol 183 unq 0 iso 0 dist 9.92635 8.96895 5.5781 5.27311 8.58178 4.82566 numMergedOcc 0
22 mol 183 unq 1 iso 0 dist 9.92635 8.96895 5.5781 6.58331 4.77438 3.74873 numMergedOcc 0
23 mol 183 unq 2 iso 0 dist 9.92635 8.96895 5.5781 12.5326 5.73344 5.77609 numMergedOcc 0
24 mol 183 unq 3 iso 0 dist 7.85507 6.57004 5.5781 3.84394 8.58178 4.82566 numMergedOcc 0
25 mol 183 unq 4 iso 0 dist 7.85507 6.57004 5.5781 5.46887 4.77438 3.74873 numMergedOcc 0
26 mol 183 unq 5 iso 0 dist 7.85507 6.57004 5.5781 11.1336 5.73344 5.77609 numMergedOcc 0
27 mol 185 unq 0 iso 0 dist 5.40655 6.26644 8.56136 3.82689 4.91046 9.87079 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.09754 8.35349 6.05667 3.83801 5.32465 4.76454 numMergedOcc 0
29 mol 265 unq 0 iso 0 dist 6.98812 10.7881 7.49913 13.0312 6.80043 6.31696 numMergedOcc 0
