0 mol 17 unq 0 iso 0 dist 9.5937 6.53817 10.1064 9.78918 14.6638 5.67637 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.5937 6.53817 10.1064 6.80314 12.7368 4.03817 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 9.5937 9.81769 11.3627 9.78918 14.6638 9.78461 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 9.5937 9.81769 11.3627 6.80314 12.7368 5.12703 numMergedOcc 0
4 mol 17 unq 4 iso 0 dist 7.34681 6.53817 13.5023 9.78918 16.9932 5.67637 numMergedOcc 0
5 mol 17 unq 5 iso 0 dist 7.34681 6.53817 13.5023 6.80314 13.5569 4.03817 numMergedOcc 0
6 mol 17 unq 6 iso 0 dist 7.34681 9.81769 15.703 9.78918 16.9932 9.78461 numMergedOcc 0
7 mol 17 unq 7 iso 0 dist 7.34681 9.81769 15.703 6.80314 13.5569 5.12703 numMergedOcc 0
8 mol 21 unq 0 iso 0 dist 8.07914 8.85347 4.964 7.30397 4.89282 8.28093 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 9.22152 5.87895 6.7228 7.06532 10.658 6.38336 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 9.22152 9.57974 6.62926 7.06532 10.658 6.51 numMergedOcc 0
11 mol 30 unq 0 iso 0 dist 8.204 8.37503 11.4088 8.90581 8.50024 4.94076 numMergedOcc 0
12 mol 48 unq 0 iso 0 dist 9.53081 5.36645 12.299 6.42242 5.84184 8.82805 numMergedOcc 0
13 mol 53 unq 0 iso 0 dist 6.70095 8.94173 7.7232 8.5021 6.52918 9.59418 numMergedOcc 0
14 mol 64 unq 0 iso 0 dist 5.66803 5.54343 5.9853 9.23947 8.95689 6.21578 numMergedOcc 0
15 mol 67 unq 0 iso 0 dist 8.27009 7.9572 10.6864 9.42982 14.2762 4.3987 numMergedOcc 0
16 mol 67 unq 1 iso 0 dist 8.27009 7.9572 10.6864 8.17929 4.26531 9.9849 numMergedOcc 0
17 mol 67 unq 2 iso 0 dist 8.27009 7.9572 10.6864 5.63802 6.56501 10.0069 numMergedOcc 0
18 mol 67 unq 3 iso 0 dist 8.27009 8.64208 13.0612 9.42982 14.2762 9.67324 numMergedOcc 0
19 mol 67 unq 4 iso 0 dist 8.27009 8.64208 13.0612 8.17929 4.26531 14.5039 numMergedOcc 0
20 mol 67 unq 5 iso 0 dist 8.27009 8.64208 13.0612 5.63802 6.56501 13.6485 numMergedOcc 0
21 mol 67 unq 6 iso 0 dist 5.80736 7.9572 6.3173 9.42982 7.47077 4.3987 numMergedOcc 0
22 mol 67 unq 7 iso 0 dist 5.80736 7.9572 6.3173 8.17929 5.92208 9.9849 numMergedOcc 0
23 mol 67 unq 8 iso 0 dist 5.80736 7.9572 6.3173 5.63802 4.53519 10.0069 numMergedOcc 0
24 mol 67 unq 9 iso 0 dist 5.80736 8.64208 11.8891 9.42982 7.47077 9.67324 numMergedOcc 0
25 mol 67 unq 10 iso 0 dist 5.80736 8.64208 11.8891 8.17929 5.92208 14.5039 numMergedOcc 0
26 mol 67 unq 11 iso 0 dist 5.80736 8.64208 11.8891 5.63802 4.53519 13.6485 numMergedOcc 0
27 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 6.66506 5.00474 5.11416 numMergedOcc 0
28 mol 83 unq 0 iso 0 dist 7.72515 7.77558 4.94406 7.65069 7.26402 4.64757 numMergedOcc 0
29 mol 87 unq 0 iso 0 dist 7.57471 6.8014 5.30415 8.59105 4.99645 5.95671 numMergedOcc 0
30 mol 109 unq 0 iso 0 dist 8.53914 7.4371 9.09837 9.13614 6.12935 7.20706 numMergedOcc 0
31 mol 124 unq 0 iso 0 dist 7.18976 7.23052 5.1738 9.18949 11.7124 14.8831 numMergedOcc 0
32 mol 162 unq 0 iso 0 dist 6.59407 9.42819 9.00663 6.80226 4.93161 10.1865 numMergedOcc 0
33 mol 162 unq 1 iso 0 dist 7.30751 8.15223 7.87851 8.54006 4.05981 11.5958 numMergedOcc 0
34 mol 171 unq 0 iso 0 dist 6.19457 6.01711 6.89436 6.4751 9.13204 11.5561 numMergedOcc 0
35 mol 171 unq 1 iso 0 dist 6.19457 6.01711 6.89436 5.75085 6.62952 10.844 numMergedOcc 0
36 mol 174 unq 0 iso 0 dist 7.27146 8.4931 4.74974 5.07761 4.80246 7.29873 numMergedOcc 0
37 mol 174 unq 1 iso 0 dist 6.25798 8.4931 6.97243 5.07761 9.44119 7.29873 numMergedOcc 0
38 mol 175 unq 0 iso 0 dist 7.03107 6.6776 4.51101 8.79832 11.4777 8.29015 numMergedOcc 0
39 mol 220 unq 0 iso 0 dist 9.89039 8.9077 13.6952 7.46122 9.36068 7.11498 numMergedOcc 0
40 mol 220 unq 1 iso 0 dist 8.57174 8.9077 13.8822 7.46122 15.6078 7.11498 numMergedOcc 0
41 mol 220 unq 2 iso 0 dist 6.50756 9.85951 5.55687 8.32948 11.1785 11.5838 numMergedOcc 0
42 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 8.85051 9.16476 5.0515 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 7.74348 9.96011 13.0929 8.88405 8.64384 5.82256 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 7.74348 9.96011 13.0929 7.13854 9.7977 4.94799 numMergedOcc 0
45 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 6.91534 9.08479 11.169 numMergedOcc 0
46 mol 239 unq 1 iso 0 dist 8.48545 9.27989 13.3838 8.67704 5.88166 14.8007 numMergedOcc 0
47 mol 256 unq 0 iso 0 dist 6.45473 7.54586 4.99605 9.65136 9.83915 10.134 numMergedOcc 0
48 mol 258 unq 0 iso 0 dist 9.8165 7.46199 6.98979 8.51736 10.5286 9.5662 numMergedOcc 0
49 mol 261 unq 0 iso 0 dist 4.85199 7.6414 4.25662 6.45102 5.52134 6.18925 numMergedOcc 0
50 mol 261 unq 1 iso 0 dist 9.72159 7.6414 12.864 6.45102 7.0673 6.18925 numMergedOcc 0
51 mol 273 unq 0 iso 0 dist 5.78262 6.54753 4.77695 9.57659 12.1916 10.199 numMergedOcc 0
52 mol 273 unq 1 iso 0 dist 5.78262 6.54753 4.77695 7.8424 7.70478 5.81246 numMergedOcc 0
53 mol 273 unq 2 iso 0 dist 7.6489 6.54753 9.01117 9.57659 5.91118 10.199 numMergedOcc 0
54 mol 273 unq 3 iso 0 dist 7.6489 6.54753 9.01117 7.8424 4.59769 5.81246 numMergedOcc 0
55 mol 279 unq 0 iso 0 dist 8.03486 6.47376 4.51031 9.29922 15.4124 12.6502 numMergedOcc 0
56 mol 284 unq 0 iso 0 dist 7.74965 8.08993 4.76222 4.87349 9.47092 10.6664 numMergedOcc 0
57 mol 284 unq 1 iso 0 dist 7.74965 7.34344 13.4636 4.87349 9.47092 4.50325 numMergedOcc 0
