0 mol 48 unq 0 iso 0 dist 7.02387 10.1271 6.5241 13.8073 10.1674 8.22812 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.02387 10.1271 6.5241 11.5775 5.61785 4.22002 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 7.02387 10.1271 6.5241 13.7739 8.43495 5.77855 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 7.02387 10.1271 6.5241 13.1835 6.20957 8.10774 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 7.03832 5.59994 8.65524 7.16443 5.62671 8.22812 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 7.03832 7.78417 8.96151 7.16443 5.62671 4.22002 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 7.03832 5.47187 9.02535 7.16443 5.62671 5.77855 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 8.44353 5.67204 8.65524 6.11249 6.87266 8.96151 numMergedOcc 0
8 mol 48 unq 8 iso 0 dist 8.44353 5.67204 8.65524 7.86326 4.62605 9.02535 numMergedOcc 0
9 mol 48 unq 9 iso 0 dist 8.44353 4.28224 8.22812 6.11249 6.87266 4.22002 numMergedOcc 0
10 mol 48 unq 10 iso 0 dist 8.44353 4.28224 8.22812 7.86326 4.62605 5.77855 numMergedOcc 0
11 mol 48 unq 11 iso 0 dist 8.44353 4.28224 8.22812 9.41827 10.9047 8.10774 numMergedOcc 0
12 mol 48 unq 12 iso 0 dist 8.44353 4.28224 8.22812 4.74786 10.1674 6.5241 numMergedOcc 0
13 mol 48 unq 13 iso 0 dist 6.11249 5.67204 8.96151 8.44353 6.87266 8.65524 numMergedOcc 0
14 mol 48 unq 14 iso 0 dist 6.11249 5.67204 8.96151 7.86326 3.23184 9.02535 numMergedOcc 0
15 mol 48 unq 15 iso 0 dist 6.11249 4.28224 4.22002 8.44353 6.87266 8.22812 numMergedOcc 0
16 mol 48 unq 16 iso 0 dist 6.11249 4.28224 4.22002 7.86326 3.23184 5.77855 numMergedOcc 0
17 mol 48 unq 17 iso 0 dist 6.11249 4.28224 4.22002 9.41827 4.78728 8.10774 numMergedOcc 0
18 mol 48 unq 18 iso 0 dist 6.11249 4.28224 4.22002 4.74786 5.61785 6.5241 numMergedOcc 0
19 mol 48 unq 19 iso 0 dist 7.86326 5.67204 9.02535 8.44353 4.62605 8.65524 numMergedOcc 0
20 mol 48 unq 20 iso 0 dist 7.86326 5.67204 9.02535 6.11249 3.23184 8.96151 numMergedOcc 0
21 mol 48 unq 21 iso 0 dist 7.86326 4.28224 5.77855 8.44353 4.62605 8.22812 numMergedOcc 0
22 mol 48 unq 22 iso 0 dist 7.86326 4.28224 5.77855 6.11249 3.23184 4.22002 numMergedOcc 0
23 mol 48 unq 23 iso 0 dist 7.86326 4.28224 5.77855 9.41827 7.18912 8.10774 numMergedOcc 0
24 mol 48 unq 24 iso 0 dist 7.86326 4.28224 5.77855 4.74786 8.43495 6.5241 numMergedOcc 0
25 mol 48 unq 25 iso 0 dist 4.74786 4.28224 6.5241 8.44353 10.1674 8.22812 numMergedOcc 0
26 mol 48 unq 26 iso 0 dist 4.74786 4.28224 6.5241 6.11249 5.61785 4.22002 numMergedOcc 0
27 mol 48 unq 27 iso 0 dist 4.74786 4.28224 6.5241 7.86326 8.43495 5.77855 numMergedOcc 0
28 mol 48 unq 28 iso 0 dist 4.74786 4.28224 6.5241 9.41827 6.20957 8.10774 numMergedOcc 0
29 mol 48 unq 29 iso 0 dist 7.16443 5.59994 8.22812 7.03832 5.62671 8.65524 numMergedOcc 0
30 mol 48 unq 30 iso 0 dist 7.16443 7.78417 4.22002 7.03832 5.62671 8.96151 numMergedOcc 0
31 mol 48 unq 31 iso 0 dist 7.16443 5.47187 5.77855 7.03832 5.62671 9.02535 numMergedOcc 0
32 mol 48 unq 32 iso 0 dist 7.16443 12.3016 6.5241 15.6912 8.66712 5.54472 numMergedOcc 0
33 mol 48 unq 33 iso 0 dist 7.16443 12.3016 6.5241 16.0943 9.07711 8.62369 numMergedOcc 0
34 mol 48 unq 34 iso 0 dist 4.53565 4.12075 6.36817 9.38938 6.29252 8.14245 numMergedOcc 0
35 mol 48 unq 35 iso 0 dist 4.53565 4.12075 6.36817 8.53722 9.94041 8.0812 numMergedOcc 0
36 mol 48 unq 36 iso 0 dist 4.53565 4.12075 6.36817 6.15814 5.553 4.17933 numMergedOcc 0
37 mol 48 unq 37 iso 0 dist 4.53565 4.12075 6.36817 7.70284 8.14415 5.54893 numMergedOcc 0
38 mol 48 unq 38 iso 0 dist 8.53722 4.12075 8.0812 9.38938 10.8994 8.14245 numMergedOcc 0
39 mol 48 unq 39 iso 0 dist 8.53722 4.12075 8.0812 4.53565 9.94041 6.36817 numMergedOcc 0
40 mol 48 unq 40 iso 0 dist 8.53722 4.12075 8.0812 6.15814 6.96103 4.17933 numMergedOcc 0
41 mol 48 unq 41 iso 0 dist 8.53722 4.12075 8.0812 7.70284 4.54874 5.54893 numMergedOcc 0
42 mol 48 unq 42 iso 0 dist 6.15814 4.12075 4.17933 9.38938 4.73799 8.14245 numMergedOcc 0
43 mol 48 unq 43 iso 0 dist 6.15814 4.12075 4.17933 4.53565 5.553 6.36817 numMergedOcc 0
44 mol 48 unq 44 iso 0 dist 6.15814 4.12075 4.17933 8.53722 6.96103 8.0812 numMergedOcc 0
45 mol 48 unq 45 iso 0 dist 6.15814 4.12075 4.17933 7.70284 3.18526 5.54893 numMergedOcc 0
46 mol 48 unq 46 iso 0 dist 7.70284 4.12075 5.54893 9.38938 7.19576 8.14245 numMergedOcc 0
47 mol 48 unq 47 iso 0 dist 7.70284 4.12075 5.54893 4.53565 8.14415 6.36817 numMergedOcc 0
48 mol 48 unq 48 iso 0 dist 7.70284 4.12075 5.54893 8.53722 4.54874 8.0812 numMergedOcc 0
49 mol 48 unq 49 iso 0 dist 7.70284 4.12075 5.54893 6.15814 3.18526 4.17933 numMergedOcc 0
50 mol 48 unq 50 iso 0 dist 7.08628 12.2529 6.36817 15.636 8.61401 5.37439 numMergedOcc 0
51 mol 48 unq 51 iso 0 dist 7.08628 12.2529 6.36817 16.1395 9.16142 8.3714 numMergedOcc 0
52 mol 79 unq 0 iso 0 dist 7.90338 4.35906 4.15789 7.08462 5.30569 4.808 numMergedOcc 0
53 mol 79 unq 1 iso 0 dist 5.82384 4.39784 6.20144 8.58021 7.13643 4.808 numMergedOcc 0
54 mol 79 unq 2 iso 0 dist 7.08462 4.35906 4.808 7.90338 5.30569 4.15789 numMergedOcc 0
55 mol 79 unq 3 iso 0 dist 7.15907 5.01567 6.20144 8.78124 7.13643 4.808 numMergedOcc 0
56 mol 85 unq 0 iso 0 dist 5.61151 10.803 6.67137 6.54289 2.58673 7.04244 numMergedOcc 0
57 mol 85 unq 1 iso 0 dist 5.61151 5.49707 9.78707 6.54289 2.58673 9.63449 numMergedOcc 0
58 mol 85 unq 2 iso 0 dist 6.54289 10.803 7.04244 5.61151 2.58673 6.67137 numMergedOcc 0
59 mol 85 unq 3 iso 0 dist 6.54289 5.49707 9.63449 5.61151 2.58673 9.78707 numMergedOcc 0
60 mol 85 unq 4 iso 0 dist 7.52869 9.46256 7.04244 9.18895 2.58673 6.67137 numMergedOcc 0
61 mol 85 unq 5 iso 0 dist 7.52869 11.3191 9.63449 9.18895 2.58673 9.78707 numMergedOcc 0
62 mol 85 unq 6 iso 0 dist 9.18945 6.34431 7.04244 9.58605 2.58673 6.67137 numMergedOcc 0
63 mol 85 unq 7 iso 0 dist 9.18945 14.7195 9.63449 9.58605 2.58673 9.78707 numMergedOcc 0
64 mol 111 unq 0 iso 0 dist 7.75479 11.4065 9.34782 12.2574 8.72808 4.91212 numMergedOcc 0
65 mol 113 unq 0 iso 0 dist 5.45882 5.09579 4.49669 9.69937 5.7147 5.31126 numMergedOcc 0
66 mol 113 unq 1 iso 0 dist 5.45882 5.09579 4.49669 4.57487 3.74304 6.00221 numMergedOcc 0
67 mol 113 unq 2 iso 0 dist 5.45882 5.46299 5.88896 9.69937 5.7147 7.16619 numMergedOcc 0
68 mol 113 unq 3 iso 0 dist 4.57487 5.09579 6.00221 9.69937 8.09465 5.31126 numMergedOcc 0
69 mol 113 unq 4 iso 0 dist 4.57487 5.09579 6.00221 5.45882 3.74304 4.49669 numMergedOcc 0
70 mol 123 unq 0 iso 0 dist 8.53618 14.0485 8.03692 17.1707 8.77423 8.78115 numMergedOcc 0
71 mol 176 unq 0 iso 0 dist 9.67312 6.33976 6.85902 10.0017 7.03525 8.65645 numMergedOcc 0
72 mol 204 unq 0 iso 0 dist 4.51124 6.68247 8.32259 8.41517 8.59834 8.54737 numMergedOcc 0
73 mol 204 unq 1 iso 0 dist 4.51124 7.51762 9.93489 8.41517 8.59834 7.64057 numMergedOcc 0
74 mol 204 unq 2 iso 0 dist 8.41517 6.68247 8.54737 4.51124 8.59834 8.32259 numMergedOcc 0
75 mol 204 unq 3 iso 0 dist 8.41517 7.51762 7.64057 4.51124 8.59834 9.93489 numMergedOcc 0
76 mol 204 unq 4 iso 0 dist 7.76863 3.99343 8.32259 10.2353 2.95898 9.93489 numMergedOcc 0
77 mol 204 unq 5 iso 0 dist 7.76863 11.4601 8.54737 10.2353 2.95898 7.64057 numMergedOcc 0
78 mol 214 unq 0 iso 0 dist 8.3107 11.4548 7.96338 10.9638 2.86233 7.42759 numMergedOcc 0
79 mol 214 unq 1 iso 0 dist 7.72298 6.05252 7.96338 14.0046 10.5332 8.66082 numMergedOcc 0
80 mol 254 unq 0 iso 0 dist 7.23916 6.19835 7.85841 6.12653 3.15539 9.20109 numMergedOcc 0
81 mol 254 unq 1 iso 0 dist 6.12653 6.19835 9.20109 7.23916 3.15539 7.85841 numMergedOcc 0
82 mol 260 unq 0 iso 0 dist 5.30187 5.91135 6.48099 10.853 8.76827 7.04263 numMergedOcc 0
83 mol 266 unq 0 iso 0 dist 9.6721 16.7453 8.25286 20.1477 11.938 7.8598 numMergedOcc 0
84 mol 266 unq 1 iso 0 dist 9.6721 17.4207 9.9965 20.1477 11.938 7.80711 numMergedOcc 0
85 mol 277 unq 0 iso 0 dist 9.62597 6.51854 6.79748 11.5874 3.75238 6.53598 numMergedOcc 0
86 mol 281 unq 0 iso 0 dist 9.94612 6.83942 6.69267 12.0277 3.77058 6.56886 numMergedOcc 0
87 mol 285 unq 0 iso 0 dist 6.01404 6.01515 5.88958 9.14377 4.87372 7.78121 numMergedOcc 0
