0 mol 17 unq 0 iso 0 dist 9.26685 9.5937 5.4483 6.53817 11.7814 10.1064 9.78918 14.8435 14.6638 5.67637 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.26685 9.5937 5.4483 6.53817 11.7814 10.1064 6.80314 14.487 12.7368 4.03817 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 9.26685 9.5937 5.4483 9.81769 14.8418 11.3627 9.78918 14.8435 14.6638 9.78461 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 9.26685 9.5937 5.4483 9.81769 14.8418 11.3627 6.80314 14.487 12.7368 5.12703 numMergedOcc 0
4 mol 17 unq 4 iso 0 dist 9.26685 7.34681 9.4204 6.53817 11.7814 13.5023 9.78918 14.8435 16.9932 5.67637 numMergedOcc 0
5 mol 17 unq 5 iso 0 dist 9.26685 7.34681 9.4204 6.53817 11.7814 13.5023 6.80314 14.487 13.5569 4.03817 numMergedOcc 0
6 mol 17 unq 6 iso 0 dist 9.26685 7.34681 9.4204 9.81769 14.8418 15.703 9.78918 14.8435 16.9932 9.78461 numMergedOcc 0
7 mol 17 unq 7 iso 0 dist 9.26685 7.34681 9.4204 9.81769 14.8418 15.703 6.80314 14.487 13.5569 5.12703 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 8.37503 6.40527 11.4088 8.90581 5.02236 8.50024 4.94076 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 8.36915 9.53081 13.2937 5.36645 8.03277 12.299 6.42242 13.1229 5.84184 8.82805 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 6.01454 9.53081 5.41488 5.36645 9.26483 12.299 6.42242 6.98858 5.84184 8.82805 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 5.54343 5.33496 5.9853 9.23947 11.3115 8.95689 6.21578 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 9.42819 8.35998 9.00663 6.80226 4.55978 4.93161 10.1865 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 9.47945 6.19457 10.2353 6.01711 5.53673 6.89436 6.4751 15.864 9.13204 11.5561 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 9.47945 6.19457 10.2353 6.01711 5.53673 6.89436 5.75085 14.3848 6.62952 10.844 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.86207 9.89039 9.09963 8.9077 4.90657 13.6952 7.46122 4.39102 9.36068 7.11498 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.86207 8.57174 14.3078 8.9077 4.90657 13.8822 7.46122 4.39102 15.6078 7.11498 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 7.57716 6.50756 8.34243 9.85951 9.86723 5.55687 8.32948 4.45003 11.1785 11.5838 numMergedOcc 0
18 mol 220 unq 3 iso 0 dist 8.98362 6.50756 5.82963 9.85951 6.80494 5.55687 8.32948 14.9758 11.1785 11.5838 numMergedOcc 0
19 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 8.33847 6.87235 12.2372 8.85051 5.50843 9.16476 5.0515 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 7.6402 7.74348 13.5224 9.96011 5.32878 13.0929 8.88405 8.43621 8.64384 5.82256 numMergedOcc 0
21 mol 236 unq 1 iso 0 dist 7.6402 7.74348 13.5224 9.96011 5.32878 13.0929 7.13854 6.96377 9.7977 4.94799 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 9.27989 11.4465 13.3838 6.91534 15.1473 9.08479 11.169 numMergedOcc 0
23 mol 239 unq 1 iso 0 dist 8.34832 8.48545 14.2079 9.27989 11.4465 13.3838 8.67704 16.5164 5.88166 14.8007 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 7.6414 11.544 4.25662 6.45102 5.48108 5.52134 6.18925 numMergedOcc 0
25 mol 261 unq 1 iso 0 dist 9.70222 9.72159 4.97878 7.6414 11.544 12.864 6.45102 5.48108 7.0673 6.18925 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 6.47376 5.34376 4.51031 9.29922 13.4771 15.4124 12.6502 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 6.47376 5.86731 4.51031 9.29922 12.7014 15.4124 12.6502 numMergedOcc 0
