0 mol 34 unq 0 iso 0 dist 9.25424 7.69101 4.74094 11.418 6.38866 10.7075 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 7.69101 9.25424 4.74094 3.8237 9.48125 11.9917 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 7.05327 9.26362 6.58698 3.85603 6.38866 11.1239 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.02387 8.92898 10.0905 6.14049 5.54472 12.0538 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.02387 8.92898 10.0905 8.31625 8.62369 15.6455 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 7.02387 8.92898 10.0905 10.1271 6.5241 15.8172 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.03832 7.16443 5.62671 5.59994 8.65524 8.22812 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 7.03832 7.16443 5.62671 7.78417 8.96151 4.22002 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 7.03832 7.16443 5.62671 5.47187 9.02535 5.77855 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 8.44353 6.11249 6.87266 5.67204 8.65524 8.96151 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 8.44353 6.11249 6.87266 4.28224 8.22812 4.22002 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 8.44353 7.86326 4.62605 5.67204 8.65524 9.02535 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 8.44353 7.86326 4.62605 4.28224 8.22812 5.77855 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 8.44353 4.74786 10.1674 5.67204 8.65524 10.2447 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 8.44353 4.74786 10.1674 4.28224 8.22812 6.5241 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 6.11249 8.44353 6.87266 5.67204 8.96151 8.65524 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 6.11249 8.44353 6.87266 4.28224 4.22002 8.22812 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 6.11249 7.86326 3.23184 5.67204 8.96151 9.02535 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 6.11249 7.86326 3.23184 4.28224 4.22002 5.77855 numMergedOcc 0
19 mol 48 unq 16 iso 0 dist 6.11249 4.74786 5.61785 5.67204 8.96151 10.2447 numMergedOcc 0
20 mol 48 unq 17 iso 0 dist 6.11249 4.74786 5.61785 4.28224 4.22002 6.5241 numMergedOcc 0
21 mol 48 unq 18 iso 0 dist 7.86326 8.44353 4.62605 5.67204 9.02535 8.65524 numMergedOcc 0
22 mol 48 unq 19 iso 0 dist 7.86326 8.44353 4.62605 4.28224 5.77855 8.22812 numMergedOcc 0
23 mol 48 unq 20 iso 0 dist 7.86326 6.11249 3.23184 5.67204 9.02535 8.96151 numMergedOcc 0
24 mol 48 unq 21 iso 0 dist 7.86326 6.11249 3.23184 4.28224 5.77855 4.22002 numMergedOcc 0
25 mol 48 unq 22 iso 0 dist 7.86326 4.74786 8.43495 5.67204 9.02535 10.2447 numMergedOcc 0
26 mol 48 unq 23 iso 0 dist 7.86326 4.74786 8.43495 4.28224 5.77855 6.5241 numMergedOcc 0
27 mol 48 unq 24 iso 0 dist 4.74786 8.44353 10.1674 7.13338 5.54472 14.8981 numMergedOcc 0
28 mol 48 unq 25 iso 0 dist 4.74786 8.44353 10.1674 8.64653 8.62369 16.5858 numMergedOcc 0
29 mol 48 unq 26 iso 0 dist 4.74786 8.44353 10.1674 4.28224 6.5241 8.22812 numMergedOcc 0
30 mol 48 unq 27 iso 0 dist 4.74786 6.11249 5.61785 7.13338 5.54472 9.83205 numMergedOcc 0
31 mol 48 unq 28 iso 0 dist 4.74786 6.11249 5.61785 8.64653 8.62369 11.444 numMergedOcc 0
32 mol 48 unq 29 iso 0 dist 4.74786 6.11249 5.61785 4.28224 6.5241 4.22002 numMergedOcc 0
33 mol 48 unq 30 iso 0 dist 4.74786 7.86326 8.43495 7.13338 5.54472 12.8664 numMergedOcc 0
34 mol 48 unq 31 iso 0 dist 4.74786 7.86326 8.43495 8.64653 8.62369 14.2734 numMergedOcc 0
35 mol 48 unq 32 iso 0 dist 4.74786 7.86326 8.43495 4.28224 6.5241 5.77855 numMergedOcc 0
36 mol 48 unq 33 iso 0 dist 7.16443 7.03832 5.62671 5.59994 8.22812 8.65524 numMergedOcc 0
37 mol 48 unq 34 iso 0 dist 7.16443 7.03832 5.62671 7.78417 4.22002 8.96151 numMergedOcc 0
38 mol 48 unq 35 iso 0 dist 7.16443 7.03832 5.62671 5.47187 5.77855 9.02535 numMergedOcc 0
39 mol 48 unq 36 iso 0 dist 7.16443 7.03832 5.62671 12.2824 8.10774 13.4006 numMergedOcc 0
40 mol 48 unq 37 iso 0 dist 7.16443 7.03832 5.62671 12.3016 6.5241 10.2447 numMergedOcc 0
41 mol 48 unq 38 iso 0 dist 4.53565 8.53722 9.94041 7.08546 5.37439 14.7286 numMergedOcc 0
42 mol 48 unq 39 iso 0 dist 4.53565 8.53722 9.94041 8.61607 8.3714 16.5312 numMergedOcc 0
43 mol 48 unq 40 iso 0 dist 4.53565 8.53722 9.94041 4.12075 6.36817 8.0812 numMergedOcc 0
44 mol 48 unq 41 iso 0 dist 4.53565 6.15814 5.553 7.08546 5.37439 9.47823 numMergedOcc 0
45 mol 48 unq 42 iso 0 dist 4.53565 6.15814 5.553 8.61607 8.3714 11.095 numMergedOcc 0
46 mol 48 unq 43 iso 0 dist 4.53565 6.15814 5.553 4.12075 6.36817 4.17933 numMergedOcc 0
47 mol 48 unq 44 iso 0 dist 4.53565 7.70284 8.14415 7.08546 5.37439 12.439 numMergedOcc 0
48 mol 48 unq 45 iso 0 dist 4.53565 7.70284 8.14415 8.61607 8.3714 13.9254 numMergedOcc 0
49 mol 48 unq 46 iso 0 dist 4.53565 7.70284 8.14415 4.12075 6.36817 5.54893 numMergedOcc 0
50 mol 48 unq 47 iso 0 dist 8.53722 4.53565 9.94041 4.12075 8.0812 6.36817 numMergedOcc 0
51 mol 48 unq 48 iso 0 dist 8.53722 6.15814 6.96103 4.12075 8.0812 4.17933 numMergedOcc 0
52 mol 48 unq 49 iso 0 dist 8.53722 7.70284 4.54874 4.12075 8.0812 5.54893 numMergedOcc 0
53 mol 48 unq 50 iso 0 dist 6.15814 4.53565 5.553 4.12075 4.17933 6.36817 numMergedOcc 0
54 mol 48 unq 51 iso 0 dist 6.15814 8.53722 6.96103 4.12075 4.17933 8.0812 numMergedOcc 0
55 mol 48 unq 52 iso 0 dist 6.15814 7.70284 3.18526 4.12075 4.17933 5.54893 numMergedOcc 0
56 mol 48 unq 53 iso 0 dist 7.70284 4.53565 8.14415 4.12075 5.54893 6.36817 numMergedOcc 0
57 mol 48 unq 54 iso 0 dist 7.70284 8.53722 4.54874 4.12075 5.54893 8.0812 numMergedOcc 0
58 mol 48 unq 55 iso 0 dist 7.70284 6.15814 3.18526 4.12075 5.54893 4.17933 numMergedOcc 0
59 mol 79 unq 0 iso 0 dist 7.90338 7.08462 5.30569 4.35906 4.15789 4.808 numMergedOcc 0
60 mol 79 unq 1 iso 0 dist 7.08462 7.90338 5.30569 4.89844 6.20144 9.56766 numMergedOcc 0
61 mol 79 unq 2 iso 0 dist 7.08462 7.90338 5.30569 4.35906 4.808 4.15789 numMergedOcc 0
62 mol 85 unq 0 iso 0 dist 5.61151 6.54289 2.58673 10.803 6.67137 7.04244 numMergedOcc 0
63 mol 85 unq 1 iso 0 dist 5.61151 6.54289 2.58673 5.49707 9.78707 9.63449 numMergedOcc 0
64 mol 85 unq 2 iso 0 dist 6.54289 5.61151 2.58673 11.6623 7.07839 9.52926 numMergedOcc 0
65 mol 85 unq 3 iso 0 dist 6.54289 5.61151 2.58673 10.803 7.04244 6.67137 numMergedOcc 0
66 mol 85 unq 4 iso 0 dist 6.54289 5.61151 2.58673 13.4097 7.91193 10.4386 numMergedOcc 0
67 mol 85 unq 5 iso 0 dist 6.54289 5.61151 2.58673 15.6048 9.09711 10.9264 numMergedOcc 0
68 mol 85 unq 6 iso 0 dist 6.54289 5.61151 2.58673 5.49707 9.63449 9.78707 numMergedOcc 0
69 mol 113 unq 0 iso 0 dist 5.45882 4.57487 3.74304 5.09579 4.49669 6.00221 numMergedOcc 0
70 mol 113 unq 1 iso 0 dist 5.45882 4.57487 3.74304 5.46299 5.88896 7.84239 numMergedOcc 0
71 mol 113 unq 2 iso 0 dist 4.57487 5.45882 3.74304 5.09579 6.00221 4.49669 numMergedOcc 0
72 mol 204 unq 0 iso 0 dist 4.51124 8.41517 8.59834 6.68247 8.32259 8.54737 numMergedOcc 0
73 mol 204 unq 1 iso 0 dist 4.51124 8.41517 8.59834 7.51762 9.93489 7.64057 numMergedOcc 0
74 mol 204 unq 2 iso 0 dist 8.41517 4.51124 8.59834 6.68247 8.54737 8.32259 numMergedOcc 0
75 mol 204 unq 3 iso 0 dist 8.41517 4.51124 8.59834 7.51762 7.64057 9.93489 numMergedOcc 0
76 mol 254 unq 0 iso 0 dist 7.23916 6.12653 3.15539 6.19835 7.85841 9.20109 numMergedOcc 0
77 mol 254 unq 1 iso 0 dist 6.12653 7.23916 3.15539 6.19835 9.20109 7.85841 numMergedOcc 0
78 mol 283 unq 0 iso 0 dist 7.83424 9.06774 13.4236 4.58127 7.31132 13.2763 numMergedOcc 0
79 mol 287 unq 0 iso 0 dist 5.50067 7.77225 9.30266 8.99193 4.68668 12.9723 numMergedOcc 0
80 mol 288 unq 0 iso 0 dist 5.50067 7.77225 9.30266 8.99193 4.68668 12.9723 numMergedOcc 0
81 mol 289 unq 0 iso 0 dist 5.50067 7.77225 9.30266 8.99193 4.68668 12.9723 numMergedOcc 0
