0 mol 16 unq 0 iso 0 dist 6.36377 6.55076 8.33883 4.78943 5.05803 5.38671 13.8231 11.958 8.46837 11.8413 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.36377 6.55076 8.33883 5.48395 6.31718 5.45161 13.8231 11.958 8.46837 9.59856 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.10899 13.0514 6.87871 10.8741 9.24927 8.95909 11.7558 5.3372 6.17472 13.0456 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 11.0096 8.80331 10.323 11.1748 9.69698 8.58709 15.7652 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.38387 7.67926 9.74445 11.0096 8.80331 10.323 11.0563 5.90113 7.53564 9.17086 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 8.38387 7.67926 9.74445 11.8286 6.20293 14.445 11.1748 9.69698 8.58709 15.8918 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 8.38387 7.67926 9.74445 11.8286 6.20293 14.445 11.0563 5.90113 7.53564 10.615 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 5.97635 4.94741 5.59773 10.7219 9.5589 13.9079 8.34361 5.65405 6.10175 14.4402 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 5.97635 4.94741 5.59773 6.76462 6.83299 10.4238 8.34361 5.65405 6.10175 10.5929 numMergedOcc 0
9 mol 54 unq 2 iso 0 dist 5.97635 4.94741 5.59773 13.2619 8.10861 10.1356 8.34361 5.65405 6.10175 6.54183 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 6.90827 13.2842 9.85576 10.4485 7.90328 10.4589 11.6509 5.21051 8.30003 7.0318 numMergedOcc 0
11 mol 117 unq 1 iso 0 dist 6.90827 13.2842 9.85576 5.27151 7.83136 14.2649 11.6509 5.21051 8.30003 11.0698 numMergedOcc 0
12 mol 117 unq 2 iso 0 dist 6.90827 13.2842 9.85576 4.45276 7.0603 9.53886 11.6509 5.21051 8.30003 10.5123 numMergedOcc 0
13 mol 117 unq 3 iso 0 dist 8.90977 12.0106 9.85576 13.8755 7.90328 10.4589 13.1924 5.21051 8.30003 7.0318 numMergedOcc 0
14 mol 117 unq 4 iso 0 dist 8.90977 12.0106 9.85576 10.6616 7.83136 14.2649 13.1924 5.21051 8.30003 11.0698 numMergedOcc 0
15 mol 117 unq 5 iso 0 dist 8.90977 12.0106 9.85576 4.98254 7.0603 9.53886 13.1924 5.21051 8.30003 10.5123 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 6.78949 9.13822 8.33083 7.54208 8.37808 12.4383 16.8397 11.9943 9.44209 18.0518 numMergedOcc 0
17 mol 122 unq 1 iso 0 dist 9.40018 3.45209 8.33083 11.0216 8.37808 12.4383 10.9845 11.9943 9.44209 18.0518 numMergedOcc 0
18 mol 126 unq 0 iso 0 dist 8.32241 9.63225 9.54928 4.84035 6.06638 7.01529 10.6754 5.50061 9.40608 6.24392 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 7.81337 6.68239 8.97145 11.4498 6.85062 14.257 7.46875 5.29825 5.50364 12.0117 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 7.81337 7.74794 6.5874 11.4498 6.85062 7.60371 7.46875 5.29825 8.7301 12.0117 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 10.4039 8.56324 9.66339 12.9009 9.50073 8.84852 15.3848 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 8.07256 8.50267 9.10619 11.1874 6.70283 13.9994 12.9009 9.50073 8.84852 16.0753 numMergedOcc 0
23 mol 152 unq 2 iso 0 dist 8.07256 8.50267 9.10619 8.36099 7.16148 14.2552 12.9009 9.50073 8.84852 16.0158 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 9.51764 15.3761 8.49704 6.28065 9.65138 12.4611 14.1717 5.68711 5.69733 13.6328 numMergedOcc 0
25 mol 214 unq 1 iso 0 dist 9.51764 15.3761 8.49704 11.2159 7.14453 11.832 14.1717 5.68711 5.69733 11.6154 numMergedOcc 0
26 mol 214 unq 2 iso 0 dist 9.51764 15.3761 8.49704 6.53326 8.85478 10.644 14.1717 5.68711 5.69733 11.5105 numMergedOcc 0
27 mol 214 unq 3 iso 0 dist 5.36829 8.72971 8.49704 11.7583 9.65138 12.4611 7.71569 5.68711 5.69733 13.6328 numMergedOcc 0
28 mol 214 unq 4 iso 0 dist 5.36829 8.72971 8.49704 4.98764 7.14453 11.832 7.71569 5.68711 5.69733 11.6154 numMergedOcc 0
29 mol 214 unq 5 iso 0 dist 5.36829 8.72971 8.49704 12.3481 8.85478 10.644 7.71569 5.68711 5.69733 11.5105 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.24928 9.87348 9.75174 5.33567 6.57393 13.477 10.4038 6.53984 6.32593 12.6391 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 6.44212 11.0479 6.37342 7.97883 6.16342 5.29737 10.9473 4.77446 4.21935 6.83046 numMergedOcc 0
32 mol 249 unq 0 iso 0 dist 6.37672 11.3437 7.29898 9.07501 7.57994 6.6173 14.6348 8.68833 5.66519 10.291 numMergedOcc 0
33 mol 249 unq 1 iso 0 dist 6.37672 11.3437 7.29898 4.24014 6.18582 8.95486 14.6348 8.68833 5.66519 12.7977 numMergedOcc 0
34 mol 249 unq 2 iso 0 dist 6.37672 13.0712 8.91685 9.07501 7.57994 5.25611 14.6348 8.68833 6.50067 10.291 numMergedOcc 0
35 mol 249 unq 3 iso 0 dist 6.37672 13.0712 8.91685 4.24014 6.18582 9.66184 14.6348 8.68833 6.50067 12.7977 numMergedOcc 0
36 mol 249 unq 4 iso 0 dist 8.94023 11.2158 7.29898 9.53929 7.57994 6.6173 15.7594 8.68833 5.66519 10.291 numMergedOcc 0
37 mol 249 unq 5 iso 0 dist 8.94023 11.2158 7.29898 5.36989 6.18582 8.95486 15.7594 8.68833 5.66519 12.7977 numMergedOcc 0
38 mol 249 unq 6 iso 0 dist 8.94023 13.8209 8.91685 9.53929 7.57994 5.25611 15.7594 8.68833 6.50067 10.291 numMergedOcc 0
39 mol 249 unq 7 iso 0 dist 8.94023 13.8209 8.91685 5.36989 6.18582 9.66184 15.7594 8.68833 6.50067 12.7977 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 5.73834 3.95075 8.58088 6.48867 6.60405 10.221 6.41167 5.13233 6.59521 10.7821 numMergedOcc 0
41 mol 258 unq 1 iso 0 dist 5.73834 3.95075 8.58088 7.52881 6.42289 9.22664 6.41167 5.13233 6.59521 8.21585 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 5.90645 6.13878 6.77279 4.62072 8.53687 7.55268 10.8231 12.4673 9.16791 14.3065 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 5.90645 6.13878 6.77279 10.4985 8.13497 5.71237 10.8231 12.4673 9.16791 13.8844 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 9.29635 15.5244 6.90434 10.8075 9.7748 13.2927 24.5235 16.2915 9.42812 20.3589 numMergedOcc 0
45 mol 279 unq 0 iso 0 dist 7.74162 11.6227 8.13489 9.5773 9.70696 5.51096 12.0665 5.31331 8.66917 12.6214 numMergedOcc 0
