0 mol 5 unq 0 iso 0 dist 4.9568 4.42081 7.56229 3.67097 5.69239 3.14155 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.07476 5.23547 9.89425 9.46202 6.83186 12.0683 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 8.93826 9.42081 7.99756 5.39275 7.47395 4.7579 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 8.93826 5.6647 4.36087 5.39275 7.47395 3.21365 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 7.17695 9.45728 7.99756 5.17224 7.47395 4.7579 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 7.17695 4.76485 4.36087 5.17224 7.47395 3.21365 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 8.76224 7.77448 9.2146 11.7233 8.53424 16.4255 numMergedOcc 0
7 mol 28 unq 1 iso 0 dist 8.76224 7.77448 9.2146 13.0183 7.08766 16.0765 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 8.76224 7.77448 9.2146 10.9699 4.82199 13.6412 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 7.25138 5.56988 7.16844 6.13411 4.46067 3.73834 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 9.54314 7.78684 8.78414 9.09265 8.14512 4.73277 numMergedOcc 0
11 mol 63 unq 1 iso 0 dist 9.54314 7.78684 8.78414 7.57764 9.13228 10.1907 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 5.57551 6.56256 8.19932 7.27578 7.7485 7.98805 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 6.46582 11.3491 9.57759 9.68005 7.66068 9.50354 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 6.46582 11.3491 9.57759 14.6547 9.5043 12.0331 numMergedOcc 0
15 mol 76 unq 2 iso 0 dist 6.46582 11.3491 9.57759 14.1202 8.34132 9.2434 numMergedOcc 0
16 mol 78 unq 0 iso 0 dist 6.73466 3.44873 9.38837 4.15443 9.07629 4.83106 numMergedOcc 0
17 mol 78 unq 1 iso 0 dist 6.73466 3.44873 9.38837 5.83035 8.61143 4.315 numMergedOcc 0
18 mol 78 unq 2 iso 0 dist 6.73466 10.3854 9.80913 4.15443 9.07629 9.40741 numMergedOcc 0
19 mol 78 unq 3 iso 0 dist 6.73466 10.3854 9.80913 5.83035 8.61143 9.00868 numMergedOcc 0
20 mol 83 unq 0 iso 0 dist 9.94528 6.51558 5.35861 5.31562 7.50925 3.62753 numMergedOcc 0
21 mol 83 unq 1 iso 0 dist 9.94528 6.51558 5.35861 9.24212 6.96722 3.65203 numMergedOcc 0
22 mol 83 unq 2 iso 0 dist 8.94777 9.07479 5.35861 8.56578 7.50925 3.62753 numMergedOcc 0
23 mol 83 unq 3 iso 0 dist 8.94777 9.07479 5.35861 12.1198 6.96722 3.65203 numMergedOcc 0
24 mol 83 unq 4 iso 0 dist 9.47551 5.46512 5.35861 7.14423 7.50925 3.62753 numMergedOcc 0
25 mol 83 unq 5 iso 0 dist 9.47551 5.46512 5.35861 3.76903 6.96722 3.65203 numMergedOcc 0
26 mol 93 unq 0 iso 0 dist 7.54391 3.91263 9.40687 14.4533 9.66837 13.6138 numMergedOcc 0
27 mol 93 unq 1 iso 0 dist 7.54391 5.59024 8.84576 14.4533 9.66837 12.3588 numMergedOcc 0
28 mol 93 unq 2 iso 0 dist 7.54391 12.9872 7.39732 14.4533 9.66837 4.98621 numMergedOcc 0
29 mol 101 unq 0 iso 0 dist 6.67863 13.2642 9.33112 9.54415 8.19144 7.5541 numMergedOcc 0
30 mol 113 unq 0 iso 0 dist 9.86767 7.09333 4.30875 5.96967 7.02358 3.52445 numMergedOcc 0
31 mol 113 unq 1 iso 0 dist 7.96893 8.60362 8.67025 3.74516 5.31126 9.59189 numMergedOcc 0
32 mol 113 unq 2 iso 0 dist 7.96893 8.60362 8.67025 7.32784 4.49669 10.1118 numMergedOcc 0
33 mol 113 unq 3 iso 0 dist 7.96893 8.60362 8.67025 8.46561 6.00221 8.19901 numMergedOcc 0
34 mol 120 unq 0 iso 0 dist 8.03124 4.22448 9.98772 6.03314 9.31385 3.28697 numMergedOcc 0
35 mol 120 unq 1 iso 0 dist 8.03124 4.22448 9.98772 4.74539 6.98791 4.5296 numMergedOcc 0
36 mol 168 unq 0 iso 0 dist 6.48066 9.43003 7.0961 3.56227 5.86767 6.06538 numMergedOcc 0
37 mol 168 unq 1 iso 0 dist 6.48066 9.43003 7.0961 3.96437 5.28353 10.919 numMergedOcc 0
38 mol 168 unq 2 iso 0 dist 6.48066 8.01699 8.21227 3.56227 5.86767 9.99868 numMergedOcc 0
39 mol 168 unq 3 iso 0 dist 6.48066 8.01699 8.21227 3.96437 5.28353 6.91388 numMergedOcc 0
40 mol 168 unq 4 iso 0 dist 6.48066 9.98239 6.53038 3.56227 5.86767 10.7133 numMergedOcc 0
41 mol 168 unq 5 iso 0 dist 6.48066 9.98239 6.53038 3.96437 5.28353 6.65321 numMergedOcc 0
42 mol 169 unq 0 iso 0 dist 9.58901 7.0638 4.11374 5.74428 6.96715 3.59996 numMergedOcc 0
43 mol 169 unq 1 iso 0 dist 7.33643 14.6592 9.06172 3.89732 6.96715 13.5169 numMergedOcc 0
44 mol 169 unq 2 iso 0 dist 7.33643 14.9735 8.93091 3.89732 6.96715 14.673 numMergedOcc 0
45 mol 169 unq 3 iso 0 dist 7.50458 6.22697 7.65903 4.24401 5.10589 3.18152 numMergedOcc 0
46 mol 169 unq 4 iso 0 dist 7.78577 8.55252 8.6961 3.69097 5.10589 9.60496 numMergedOcc 0
47 mol 169 unq 5 iso 0 dist 7.78577 8.55252 8.6961 7.14832 4.63336 10.5251 numMergedOcc 0
48 mol 169 unq 6 iso 0 dist 7.78577 8.55252 8.6961 8.01356 6.10715 8.67112 numMergedOcc 0
49 mol 169 unq 7 iso 0 dist 5.79554 6.22697 5.97653 4.24401 4.63336 3.18152 numMergedOcc 0
50 mol 169 unq 8 iso 0 dist 4.22003 6.22697 7.75523 4.24401 6.10715 3.18152 numMergedOcc 0
51 mol 186 unq 0 iso 0 dist 7.69952 6.21273 8.17928 3.42324 4.87942 4.79079 numMergedOcc 0
52 mol 186 unq 1 iso 0 dist 7.69952 6.21273 8.17928 8.26669 7.25595 3.60793 numMergedOcc 0
53 mol 186 unq 2 iso 0 dist 9.14525 5.22626 8.92135 13.1776 7.25595 14.4913 numMergedOcc 0
54 mol 186 unq 3 iso 0 dist 9.14525 5.22626 8.92135 4.10348 9.94825 5.43612 numMergedOcc 0
55 mol 194 unq 0 iso 0 dist 8.76748 3.86206 6.68939 3.48476 9.55626 5.43825 numMergedOcc 0
56 mol 204 unq 0 iso 0 dist 9.12524 9.69119 8.23717 5.8523 8.32259 5.80328 numMergedOcc 0
57 mol 204 unq 1 iso 0 dist 9.12524 9.69119 8.23717 10.6525 8.54737 3.68217 numMergedOcc 0
58 mol 243 unq 0 iso 0 dist 6.46793 6.76489 9.53137 3.79865 4.55853 7.66826 numMergedOcc 0
59 mol 254 unq 0 iso 0 dist 7.89302 5.06168 5.6417 5.81468 7.85841 8.8967 numMergedOcc 0
60 mol 254 unq 1 iso 0 dist 7.89302 5.06168 5.6417 8.51317 9.20109 10.929 numMergedOcc 0
61 mol 254 unq 2 iso 0 dist 7.89302 6.25965 7.42831 5.81468 7.85841 9.42679 numMergedOcc 0
62 mol 254 unq 3 iso 0 dist 7.89302 6.25965 7.42831 8.51317 9.20109 10.706 numMergedOcc 0
63 mol 260 unq 0 iso 0 dist 7.88108 9.0549 8.51564 3.43711 7.04263 8.22506 numMergedOcc 0
64 mol 260 unq 1 iso 0 dist 7.88108 9.0549 8.51564 8.84611 6.48099 3.68866 numMergedOcc 0
65 mol 260 unq 2 iso 0 dist 9.46576 17.1277 9.73217 3.48905 8.62655 15.6308 numMergedOcc 0
66 mol 260 unq 3 iso 0 dist 9.46576 6.73886 7.49606 3.48905 8.62655 7.35802 numMergedOcc 0
67 mol 260 unq 4 iso 0 dist 9.46576 11.1586 8.06377 3.48905 8.62655 10.4054 numMergedOcc 0
68 mol 266 unq 0 iso 0 dist 9.35293 10.858 8.20376 7.2339 6.96692 3.68488 numMergedOcc 0
69 mol 266 unq 1 iso 0 dist 9.35293 10.858 8.20376 12.15 8.25286 3.14784 numMergedOcc 0
70 mol 266 unq 2 iso 0 dist 9.35293 10.858 8.20376 14.8334 9.9965 5.95721 numMergedOcc 0
71 mol 266 unq 3 iso 0 dist 7.93375 7.54309 8.20376 3.87565 6.96692 3.68488 numMergedOcc 0
72 mol 266 unq 4 iso 0 dist 7.93375 7.54309 8.20376 9.25882 8.25286 3.14784 numMergedOcc 0
73 mol 266 unq 5 iso 0 dist 7.93375 7.54309 8.20376 12.1357 9.9965 5.95721 numMergedOcc 0
74 mol 285 unq 0 iso 0 dist 6.73396 6.01574 7.73438 7.01472 5.88958 10.5542 numMergedOcc 0
75 mol 285 unq 1 iso 0 dist 6.73396 6.01574 7.73438 11.0045 7.78121 12.5361 numMergedOcc 0
76 mol 287 unq 0 iso 0 dist 9.40443 8.85995 8.32982 9.94473 6.24487 5.55422 numMergedOcc 0
77 mol 288 unq 0 iso 0 dist 9.40443 8.85995 8.32982 9.94473 6.24487 5.55422 numMergedOcc 0
78 mol 289 unq 0 iso 0 dist 9.40443 8.85995 8.32982 9.94473 6.24487 5.55422 numMergedOcc 0
