0 mol 30 unq 0 iso 0 dist 7.83595 8.90581 5.02236 6.78528 9.72314 10.7302 numMergedOcc 0
1 mol 111 unq 0 iso 0 dist 8.83191 9.63728 5.67736 6.38848 8.41868 12.3775 numMergedOcc 0
2 mol 134 unq 0 iso 0 dist 7.85526 7.50264 9.66528 5.57607 7.94564 11.45 numMergedOcc 0
3 mol 134 unq 1 iso 0 dist 5.33543 7.50264 5.45341 5.57607 9.21999 11.45 numMergedOcc 0
4 mol 173 unq 0 iso 0 dist 5.97008 9.31172 14.253 8.90271 7.13369 14.6844 numMergedOcc 0
5 mol 184 unq 0 iso 0 dist 9.45847 4.88303 13.3059 12.9481 5.13722 15.5874 numMergedOcc 0
6 mol 220 unq 0 iso 0 dist 9.17355 9.33514 13.1451 15.9642 7.96759 19.2543 numMergedOcc 0
7 mol 220 unq 1 iso 0 dist 9.17355 9.33514 13.1451 5.10907 8.94384 14.2753 numMergedOcc 0
8 mol 220 unq 2 iso 0 dist 7.86207 7.46122 4.39102 11.9931 8.58709 7.58118 numMergedOcc 0
9 mol 220 unq 3 iso 0 dist 7.57712 8.75712 11.317 6.40358 4.3362 9.75868 numMergedOcc 0
10 mol 220 unq 4 iso 0 dist 7.20255 8.75712 5.72178 6.40358 5.51565 9.75868 numMergedOcc 0
11 mol 220 unq 5 iso 0 dist 7.20255 8.75712 5.72178 7.36665 9.74776 10.9396 numMergedOcc 0
12 mol 220 unq 6 iso 0 dist 7.57716 8.32948 4.45003 7.52634 9.41713 10.4155 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 7.20862 5.3747 8.58832 15.6116 9.05082 17.5539 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 5.38325 8.89981 5.34167 7.88007 8.33254 13.4391 numMergedOcc 0
15 mol 268 unq 0 iso 0 dist 6.74419 7.40731 5.28541 9.53935 8.84415 13.6288 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 6.44266 9.35929 10.3973 6.26074 8.17922 14.4766 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 8.75703 9.35929 5.43792 9.34663 5.68643 10.809 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 8.57035 9.24164 9.43169 13.2374 8.15805 12.4557 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 5.78017 9.29922 13.4771 4.77763 8.36655 5.21664 numMergedOcc 0
20 mol 279 unq 2 iso 0 dist 8.78203 9.29922 12.7014 12.3869 8.76889 8.6522 numMergedOcc 0
21 mol 279 unq 3 iso 0 dist 8.78203 9.29922 12.7014 7.27825 7.04397 7.31529 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 6.83927 8.47055 4.6462 6.12141 9.047 9.55885 numMergedOcc 0
23 mol 285 unq 0 iso 0 dist 8.70702 9.26309 15.698 8.66375 8.78148 12.089 numMergedOcc 0
24 mol 285 unq 1 iso 0 dist 9.3482 9.26309 4.79097 8.66375 8.33415 12.089 numMergedOcc 0
