0 mol 15 unq 0 iso 0 dist 6.88546 12.1014 8.37378 5.63041 5.89412 6.78983 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.88546 12.1014 8.37378 13.452 7.07399 9.50843 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.61491 7.30471 5.99176 13.395 6.85556 7.11047 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.61491 6.91789 6.98583 13.395 6.85556 10.7715 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.23947 8.45243 5.94373 5.59762 9.97159 7.26966 numMergedOcc 0
5 mol 65 unq 0 iso 0 dist 7.0386 8.45061 9.91234 5.05869 7.90294 8.94818 numMergedOcc 0
6 mol 65 unq 1 iso 0 dist 7.0386 8.45061 9.91234 10.2068 9.34791 12.4023 numMergedOcc 0
7 mol 65 unq 2 iso 0 dist 7.0386 8.45061 9.91234 5.38234 8.22785 10.2221 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 7.00113 11.663 9.94322 5.759 8.76789 13.0245 numMergedOcc 0
9 mol 125 unq 1 iso 0 dist 7.00113 11.663 9.94322 6.06241 7.73435 15.5695 numMergedOcc 0
10 mol 125 unq 2 iso 0 dist 7.00113 9.39493 8.35871 5.759 8.76789 5.14447 numMergedOcc 0
11 mol 125 unq 3 iso 0 dist 7.00113 9.39493 8.35871 6.06241 7.73435 6.10523 numMergedOcc 0
12 mol 125 unq 4 iso 0 dist 9.85979 12.7481 8.74577 5.759 9.08382 11.9415 numMergedOcc 0
13 mol 125 unq 5 iso 0 dist 9.85979 12.7481 8.74577 6.06241 9.3778 15.2717 numMergedOcc 0
14 mol 125 unq 6 iso 0 dist 9.85979 12.7481 8.74577 13.5623 7.47069 9.71964 numMergedOcc 0
15 mol 125 unq 7 iso 0 dist 9.85979 11.663 9.7728 5.759 9.08382 13.0245 numMergedOcc 0
16 mol 125 unq 8 iso 0 dist 9.85979 11.663 9.7728 6.06241 9.3778 15.5695 numMergedOcc 0
17 mol 125 unq 9 iso 0 dist 9.85979 11.663 9.7728 13.5623 7.47069 13.3502 numMergedOcc 0
18 mol 125 unq 10 iso 0 dist 9.85979 9.39493 6.75122 5.759 9.08382 5.14447 numMergedOcc 0
19 mol 125 unq 11 iso 0 dist 9.85979 9.39493 6.75122 6.06241 9.3778 6.10523 numMergedOcc 0
20 mol 125 unq 12 iso 0 dist 9.85979 9.39493 6.75122 13.5623 7.47069 5.87414 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 6.4751 6.01258 8.29782 8.67611 6.64834 4.97028 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 6.4751 6.01258 8.29782 9.28655 5.93786 7.69281 numMergedOcc 0
23 mol 171 unq 2 iso 0 dist 6.4751 6.01258 8.29782 10.4021 8.24693 12.3639 numMergedOcc 0
24 mol 171 unq 3 iso 0 dist 6.4751 6.01258 8.29782 11.8046 7.36698 9.82561 numMergedOcc 0
25 mol 171 unq 4 iso 0 dist 5.75085 8.73818 7.61144 9.28655 8.1344 10.307 numMergedOcc 0
26 mol 171 unq 5 iso 0 dist 5.75085 8.73818 7.61144 10.4021 6.71356 5.60928 numMergedOcc 0
27 mol 174 unq 0 iso 0 dist 5.07761 9.22406 7.54918 12.6579 9.87122 4.69892 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 8.82861 15.6012 7.59757 9.54287 7.32294 10.2677 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 7.46122 6.68491 4.54224 10.6943 6.59716 6.29733 numMergedOcc 0
30 mol 271 unq 0 iso 0 dist 5.75889 5.20921 6.85471 9.63302 9.70714 5.49799 numMergedOcc 0
31 mol 271 unq 1 iso 0 dist 7.03848 6.59541 6.85471 7.30308 9.70714 5.49799 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 8.67838 6.5975 9.5144 11.3822 9.88863 15.5391 numMergedOcc 0
