0 mol 0 unq 0 iso 0 dist 9.42137 4.59249 7.37981 11.6896 9.6994 12.7599 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.42137 4.59249 7.37981 14.5258 7.15528 13.3337 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 9.42137 12.6412 7.19621 11.6896 9.6994 9.95 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 9.42137 12.6412 7.19621 14.5258 7.15528 6.83587 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 9.91301 5.74143 7.45487 8.25051 9.62879 5.43751 numMergedOcc 0
5 mol 14 unq 0 iso 0 dist 8.13983 5.2767 8.73627 5.63648 6.38364 9.18933 numMergedOcc 0
6 mol 14 unq 1 iso 0 dist 6.45858 8.1206 8.73627 4.05028 6.38364 9.18933 numMergedOcc 0
7 mol 14 unq 2 iso 0 dist 6.87018 10.5329 8.39221 5.45641 6.38364 7.00835 numMergedOcc 0
8 mol 16 unq 0 iso 0 dist 9.76968 5.98953 5.84479 4.2139 6.31718 5.35079 numMergedOcc 0
9 mol 16 unq 1 iso 0 dist 9.76968 5.98953 5.84479 12.1754 7.63133 6.53177 numMergedOcc 0
10 mol 16 unq 2 iso 0 dist 6.36377 6.55076 8.33883 4.78943 5.05803 5.38671 numMergedOcc 0
11 mol 16 unq 3 iso 0 dist 6.36377 6.55076 8.33883 5.48395 6.31718 5.45161 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.11056 13.7241 9.90845 10.4744 8.86116 9.59761 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 6.11056 13.7241 9.90845 6.9756 8.38394 9.89489 numMergedOcc 0
14 mol 34 unq 0 iso 0 dist 7.10899 13.0514 6.87871 10.8741 9.24927 8.95909 numMergedOcc 0
15 mol 38 unq 0 iso 0 dist 5.73067 5.47531 9.23576 5.79134 7.50293 7.35595 numMergedOcc 0
16 mol 38 unq 1 iso 0 dist 5.73067 5.47531 9.23576 5.48241 9.91611 8.59794 numMergedOcc 0
17 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 11.0096 8.80331 10.323 numMergedOcc 0
18 mol 43 unq 1 iso 0 dist 8.38387 7.67926 9.74445 11.8286 6.20293 14.445 numMergedOcc 0
19 mol 54 unq 0 iso 0 dist 5.97635 6.31564 6.59893 10.7219 9.5589 11.9881 numMergedOcc 0
20 mol 54 unq 1 iso 0 dist 5.97635 6.31564 6.59893 6.76462 6.83299 10.3564 numMergedOcc 0
21 mol 54 unq 2 iso 0 dist 5.97635 6.31564 6.59893 13.2619 8.10861 12.4254 numMergedOcc 0
22 mol 54 unq 3 iso 0 dist 5.97635 4.94741 5.59773 10.7219 9.5589 13.9079 numMergedOcc 0
23 mol 54 unq 4 iso 0 dist 5.97635 4.94741 5.59773 6.76462 6.83299 10.4238 numMergedOcc 0
24 mol 54 unq 5 iso 0 dist 5.97635 4.94741 5.59773 13.2619 8.10861 10.1356 numMergedOcc 0
25 mol 58 unq 0 iso 0 dist 6.36193 7.63046 7.84983 5.40367 6.62496 11.5882 numMergedOcc 0
26 mol 58 unq 1 iso 0 dist 4.88613 7.63046 9.56737 5.40367 6.35756 11.5882 numMergedOcc 0
27 mol 112 unq 0 iso 0 dist 7.15985 8.86411 6.85381 6.68714 9.60462 12.5148 numMergedOcc 0
28 mol 112 unq 1 iso 0 dist 7.15985 8.86411 6.85381 6.71889 7.45389 6.38057 numMergedOcc 0
29 mol 117 unq 0 iso 0 dist 6.90827 13.2842 9.85576 10.4485 7.90328 10.4589 numMergedOcc 0
30 mol 117 unq 1 iso 0 dist 6.90827 13.2842 9.85576 5.27151 7.83136 14.2649 numMergedOcc 0
31 mol 117 unq 2 iso 0 dist 6.90827 13.2842 9.85576 4.45276 7.0603 9.53886 numMergedOcc 0
32 mol 117 unq 3 iso 0 dist 8.90977 12.0106 9.85576 13.8755 7.90328 10.4589 numMergedOcc 0
33 mol 117 unq 4 iso 0 dist 8.90977 12.0106 9.85576 10.6616 7.83136 14.2649 numMergedOcc 0
34 mol 117 unq 5 iso 0 dist 8.90977 12.0106 9.85576 4.98254 7.0603 9.53886 numMergedOcc 0
35 mol 119 unq 0 iso 0 dist 6.18763 4.46648 6.49205 5.3154 6.18601 5.19198 numMergedOcc 0
36 mol 119 unq 1 iso 0 dist 5.63005 12.1048 9.42766 10.5268 8.73993 14.0677 numMergedOcc 0
37 mol 122 unq 0 iso 0 dist 6.78949 9.13822 8.33083 7.54208 8.37808 12.4383 numMergedOcc 0
38 mol 122 unq 1 iso 0 dist 9.40018 3.45209 8.33083 11.0216 8.37808 12.4383 numMergedOcc 0
39 mol 126 unq 0 iso 0 dist 8.32241 9.63225 9.54928 4.84035 6.06638 7.01529 numMergedOcc 0
40 mol 127 unq 0 iso 0 dist 9.42513 14.6411 8.40046 8.60326 9.30299 9.75166 numMergedOcc 0
41 mol 129 unq 0 iso 0 dist 9.28278 4.99299 6.29026 14.5776 8.54584 11.5533 numMergedOcc 0
42 mol 131 unq 0 iso 0 dist 7.81337 6.68239 8.97145 11.4498 6.85062 14.257 numMergedOcc 0
43 mol 131 unq 1 iso 0 dist 7.81337 7.74794 6.5874 11.4498 6.85062 7.60371 numMergedOcc 0
44 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 10.4039 8.56324 9.66339 numMergedOcc 0
45 mol 152 unq 1 iso 0 dist 8.07256 8.50267 9.10619 11.1874 6.70283 13.9994 numMergedOcc 0
46 mol 152 unq 2 iso 0 dist 8.07256 8.50267 9.10619 8.36099 7.16148 14.2552 numMergedOcc 0
47 mol 214 unq 0 iso 0 dist 9.51764 15.3761 8.49704 6.28065 9.65138 12.4611 numMergedOcc 0
48 mol 214 unq 1 iso 0 dist 9.51764 15.3761 8.49704 11.2159 7.14453 11.832 numMergedOcc 0
49 mol 214 unq 2 iso 0 dist 9.51764 15.3761 8.49704 6.53326 8.85478 10.644 numMergedOcc 0
50 mol 214 unq 3 iso 0 dist 5.36829 8.72971 8.49704 11.7583 9.65138 12.4611 numMergedOcc 0
51 mol 214 unq 4 iso 0 dist 5.36829 8.72971 8.49704 4.98764 7.14453 11.832 numMergedOcc 0
52 mol 214 unq 5 iso 0 dist 5.36829 8.72971 8.49704 12.3481 8.85478 10.644 numMergedOcc 0
53 mol 224 unq 0 iso 0 dist 8.39002 9.97999 9.33771 9.98893 8.95269 5.41021 numMergedOcc 0
54 mol 224 unq 1 iso 0 dist 8.39002 9.97999 9.33771 5.72088 6.57273 4.91322 numMergedOcc 0
55 mol 224 unq 2 iso 0 dist 8.39002 9.97999 9.33771 6.51315 5.78342 12.979 numMergedOcc 0
56 mol 224 unq 3 iso 0 dist 8.46129 9.97999 7.39839 6.31508 6.65832 7.65225 numMergedOcc 0
57 mol 224 unq 4 iso 0 dist 8.46129 9.97999 7.39839 5.72088 6.60589 4.91322 numMergedOcc 0
58 mol 224 unq 5 iso 0 dist 8.46129 9.97999 7.39839 6.51315 9.16166 12.979 numMergedOcc 0
59 mol 227 unq 0 iso 0 dist 9.07872 9.99433 9.64299 9.9474 7.09863 7.69739 numMergedOcc 0
60 mol 231 unq 0 iso 0 dist 8.01942 7.25343 6.14348 8.55683 8.40182 5.3251 numMergedOcc 0
61 mol 234 unq 0 iso 0 dist 7.46434 10.5363 5.00515 13.0285 8.41436 5.16023 numMergedOcc 0
62 mol 234 unq 1 iso 0 dist 7.46434 10.5363 5.00515 13.9912 8.92474 10.2063 numMergedOcc 0
63 mol 234 unq 2 iso 0 dist 7.50424 5.31797 5.00515 6.88707 8.41436 5.16023 numMergedOcc 0
64 mol 234 unq 3 iso 0 dist 7.50424 5.31797 5.00515 8.96936 8.92474 10.2063 numMergedOcc 0
65 mol 236 unq 0 iso 0 dist 9.05929 6.83211 8.77254 4.32403 8.04248 5.74377 numMergedOcc 0
66 mol 236 unq 1 iso 0 dist 9.05929 6.83211 8.77254 4.38595 8.35971 10.054 numMergedOcc 0
67 mol 238 unq 0 iso 0 dist 6.24928 9.87348 9.75174 5.33567 6.57393 13.477 numMergedOcc 0
68 mol 238 unq 1 iso 0 dist 9.13537 4.34203 6.83152 10.3859 6.57393 10.8336 numMergedOcc 0
69 mol 239 unq 0 iso 0 dist 6.44212 11.0479 6.37342 7.97883 6.16342 5.29737 numMergedOcc 0
70 mol 241 unq 0 iso 0 dist 9.10633 11.4382 9.72526 7.20238 7.4631 4.86437 numMergedOcc 0
71 mol 249 unq 0 iso 0 dist 6.37672 11.3437 7.29898 9.07501 7.57994 6.6173 numMergedOcc 0
72 mol 249 unq 1 iso 0 dist 6.37672 11.3437 7.29898 4.24014 6.18582 8.95486 numMergedOcc 0
73 mol 249 unq 2 iso 0 dist 6.37672 13.0712 8.91685 9.07501 7.57994 5.25611 numMergedOcc 0
74 mol 249 unq 3 iso 0 dist 6.37672 13.0712 8.91685 4.24014 6.18582 9.66184 numMergedOcc 0
75 mol 249 unq 4 iso 0 dist 8.94023 11.2158 7.29898 9.53929 7.57994 6.6173 numMergedOcc 0
76 mol 249 unq 5 iso 0 dist 8.94023 11.2158 7.29898 5.36989 6.18582 8.95486 numMergedOcc 0
77 mol 249 unq 6 iso 0 dist 8.94023 13.8209 8.91685 9.53929 7.57994 5.25611 numMergedOcc 0
78 mol 249 unq 7 iso 0 dist 8.94023 13.8209 8.91685 5.36989 6.18582 9.66184 numMergedOcc 0
79 mol 253 unq 0 iso 0 dist 5.89502 4.10634 7.7993 9.25001 9.02271 13.0587 numMergedOcc 0
80 mol 253 unq 1 iso 0 dist 5.89502 4.97753 6.10761 9.25001 9.02271 4.70422 numMergedOcc 0
81 mol 253 unq 2 iso 0 dist 7.15815 11.0688 7.7993 4.93871 9.02271 13.0587 numMergedOcc 0
82 mol 253 unq 3 iso 0 dist 7.15815 5.23198 6.10761 4.93871 9.02271 4.70422 numMergedOcc 0
83 mol 258 unq 0 iso 0 dist 5.73834 3.95075 8.58088 6.48867 6.60405 10.221 numMergedOcc 0
84 mol 258 unq 1 iso 0 dist 5.73834 3.95075 8.58088 7.52881 6.42289 9.22664 numMergedOcc 0
85 mol 259 unq 0 iso 0 dist 5.90645 6.13878 6.77279 4.62072 8.53687 7.55268 numMergedOcc 0
86 mol 259 unq 1 iso 0 dist 5.90645 6.13878 6.77279 10.4985 8.13497 5.71237 numMergedOcc 0
87 mol 259 unq 2 iso 0 dist 9.54857 5.09929 7.93997 15.3806 7.46176 14.8465 numMergedOcc 0
88 mol 264 unq 0 iso 0 dist 8.19504 9.00704 6.75305 3.93713 6.24356 10.0289 numMergedOcc 0
89 mol 272 unq 0 iso 0 dist 9.96394 5.76243 6.94346 11.5918 8.33638 9.58279 numMergedOcc 0
90 mol 277 unq 0 iso 0 dist 9.29635 15.5244 6.90434 10.8075 9.7748 13.2927 numMergedOcc 0
91 mol 279 unq 0 iso 0 dist 7.74162 11.6227 8.13489 9.5773 9.70696 5.51096 numMergedOcc 0
