0 mol 7 unq 0 iso 0 dist 8.85869 7.5298 5.38328 14.1047 9.85726 10.8678 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.85869 7.87568 9.19359 14.1047 9.85726 10.0826 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.5298 8.85869 5.38328 14.06 7.21217 10.2729 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.5298 7.87568 5.02731 14.06 7.21217 10.557 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 5.62629 8.34632 5.20168 5.33255 9.70148 11.2187 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.84699 8.40844 5.47475 13.4367 6.89722 7.26679 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.84699 6.99156 5.05066 13.4367 6.89722 10.1503 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.40844 7.84699 5.47475 5.33851 9.68526 11.7436 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 8.40844 7.84699 5.47475 13.4367 7.26679 6.89722 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 8.40844 7.84699 5.47475 15.7164 9.30776 14.4206 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 8.40844 6.99156 4.4628 5.33851 9.68526 9.72442 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 8.40844 6.99156 4.4628 13.4367 7.26679 10.1503 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 8.40844 6.99156 4.4628 15.7164 9.30776 13.2514 numMergedOcc 0
13 mol 73 unq 8 iso 0 dist 6.99156 7.84699 5.05066 5.33851 9.72442 11.7436 numMergedOcc 0
14 mol 73 unq 9 iso 0 dist 6.99156 7.84699 5.05066 16.0086 9.02288 11.1478 numMergedOcc 0
15 mol 73 unq 10 iso 0 dist 6.99156 8.40844 4.4628 5.33851 9.72442 9.68526 numMergedOcc 0
16 mol 73 unq 11 iso 0 dist 6.99156 8.40844 4.4628 16.0086 9.02288 9.75201 numMergedOcc 0
17 mol 73 unq 12 iso 0 dist 7.53504 8.66342 5.47475 9.64124 6.89722 7.26679 numMergedOcc 0
18 mol 73 unq 13 iso 0 dist 7.53504 7.21285 5.05066 9.64124 6.89722 10.1503 numMergedOcc 0
19 mol 73 unq 14 iso 0 dist 7.53504 6.95094 9.51715 9.64124 6.89722 14.918 numMergedOcc 0
20 mol 73 unq 15 iso 0 dist 8.66342 7.53504 5.47475 16.8585 9.68526 11.7436 numMergedOcc 0
21 mol 73 unq 16 iso 0 dist 8.66342 7.53504 5.47475 9.64124 7.26679 6.89722 numMergedOcc 0
22 mol 73 unq 17 iso 0 dist 8.66342 7.53504 5.47475 16.0481 9.30776 14.4206 numMergedOcc 0
23 mol 73 unq 18 iso 0 dist 8.66342 7.21285 4.4628 16.8585 9.68526 9.72442 numMergedOcc 0
24 mol 73 unq 19 iso 0 dist 8.66342 7.21285 4.4628 9.64124 7.26679 10.1503 numMergedOcc 0
25 mol 73 unq 20 iso 0 dist 8.66342 7.21285 4.4628 16.0481 9.30776 13.2514 numMergedOcc 0
26 mol 73 unq 21 iso 0 dist 8.66342 6.95094 11.6754 16.8585 9.68526 16.0684 numMergedOcc 0
27 mol 73 unq 22 iso 0 dist 8.66342 6.95094 11.6754 9.64124 7.26679 14.918 numMergedOcc 0
28 mol 73 unq 23 iso 0 dist 8.66342 6.95094 11.6754 16.0481 9.30776 20.2103 numMergedOcc 0
29 mol 73 unq 24 iso 0 dist 7.21285 7.53504 5.05066 16.8585 9.72442 11.7436 numMergedOcc 0
30 mol 73 unq 25 iso 0 dist 7.21285 7.53504 5.05066 4.91508 9.02288 11.1478 numMergedOcc 0
31 mol 73 unq 26 iso 0 dist 7.21285 8.66342 4.4628 16.8585 9.72442 9.68526 numMergedOcc 0
32 mol 73 unq 27 iso 0 dist 7.21285 8.66342 4.4628 4.91508 9.02288 9.75201 numMergedOcc 0
33 mol 73 unq 28 iso 0 dist 7.21285 6.95094 7.64038 16.8585 9.72442 16.0684 numMergedOcc 0
34 mol 73 unq 29 iso 0 dist 7.21285 6.95094 7.64038 4.91508 9.02288 9.58544 numMergedOcc 0
35 mol 73 unq 30 iso 0 dist 6.95094 7.53504 9.51715 4.91508 9.58544 11.1478 numMergedOcc 0
36 mol 73 unq 31 iso 0 dist 6.95094 8.66342 11.6754 4.91508 9.58544 9.75201 numMergedOcc 0
37 mol 73 unq 32 iso 0 dist 6.95094 7.21285 7.64038 4.91508 9.58544 9.02288 numMergedOcc 0
38 mol 98 unq 0 iso 0 dist 8.6728 9.36989 12.1484 10.602 7.38759 17.1311 numMergedOcc 0
39 mol 101 unq 0 iso 0 dist 5.51185 9.1109 6.8125 9.11989 8.77773 15.3164 numMergedOcc 0
40 mol 102 unq 0 iso 0 dist 9.61113 7.59973 7.56811 13.9809 9.01767 9.80678 numMergedOcc 0
41 mol 102 unq 1 iso 0 dist 7.59973 9.61113 7.56811 10.3418 9.43411 12.9236 numMergedOcc 0
42 mol 102 unq 2 iso 0 dist 7.59973 9.61113 7.56811 13.9809 9.80678 9.01767 numMergedOcc 0
43 mol 131 unq 0 iso 0 dist 5.50364 8.7301 8.09035 5.29825 8.97145 6.5874 numMergedOcc 0
44 mol 131 unq 1 iso 0 dist 8.7301 5.50364 8.09035 5.29825 6.5874 8.97145 numMergedOcc 0
45 mol 156 unq 0 iso 0 dist 6.67598 8.98636 5.58471 5.66289 7.30021 12.0043 numMergedOcc 0
46 mol 156 unq 1 iso 0 dist 6.67598 8.79185 10.7024 5.66289 7.30021 10.0734 numMergedOcc 0
47 mol 156 unq 2 iso 0 dist 8.79185 6.67598 10.7024 5.59399 6.71202 10.6034 numMergedOcc 0
48 mol 156 unq 3 iso 0 dist 8.79185 8.98636 10.9842 5.59399 6.71202 10.2601 numMergedOcc 0
49 mol 181 unq 0 iso 0 dist 4.35909 5.77393 8.67658 5.32859 7.44191 6.00053 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 5.77393 4.35909 8.67658 5.32859 6.00053 7.44191 numMergedOcc 0
51 mol 205 unq 0 iso 0 dist 5.94835 6.76947 6.26321 5.30941 7.07183 11.098 numMergedOcc 0
52 mol 211 unq 0 iso 0 dist 9.45365 7.14732 9.23863 8.91121 8.63308 11.6517 numMergedOcc 0
53 mol 211 unq 1 iso 0 dist 7.15386 9.63472 10.7154 7.03173 8.63308 16.1785 numMergedOcc 0
54 mol 211 unq 2 iso 0 dist 7.73993 5.42004 10.7154 11.6621 8.63308 16.1785 numMergedOcc 0
55 mol 220 unq 0 iso 0 dist 4.3362 5.51565 5.88344 9.20027 7.31105 10.2676 numMergedOcc 0
56 mol 224 unq 0 iso 0 dist 7.46044 9.92947 16.6444 13.1803 9.75313 22.9005 numMergedOcc 0
57 mol 224 unq 1 iso 0 dist 4.99301 6.36813 6.35724 5.25583 6.56437 6.23882 numMergedOcc 0
58 mol 224 unq 2 iso 0 dist 6.36813 4.99301 6.35724 5.25583 6.23882 6.56437 numMergedOcc 0
59 mol 224 unq 3 iso 0 dist 7.7163 9.2 5.75133 11.8217 9.34636 12.8171 numMergedOcc 0
60 mol 224 unq 4 iso 0 dist 7.7163 9.2 5.75133 10.8463 9.79616 11.1052 numMergedOcc 0
61 mol 224 unq 5 iso 0 dist 9.2 7.7163 5.75133 5.44863 9.29703 10.0081 numMergedOcc 0
62 mol 230 unq 0 iso 0 dist 5.00735 6.73755 5.38279 6.33989 8.43766 10.6474 numMergedOcc 0
63 mol 249 unq 0 iso 0 dist 5.66519 6.50067 5.2966 6.47697 5.78121 10.4288 numMergedOcc 0
64 mol 249 unq 1 iso 0 dist 5.66519 6.50067 5.2966 8.68833 7.29898 8.91685 numMergedOcc 0
65 mol 249 unq 2 iso 0 dist 6.50067 5.66519 5.2966 8.68833 8.91685 7.29898 numMergedOcc 0
66 mol 251 unq 0 iso 0 dist 8.65547 8.20341 5.5032 10.0672 9.82043 14.0785 numMergedOcc 0
67 mol 274 unq 0 iso 0 dist 5.68643 8.99974 4.94221 7.48637 9.91395 14.4561 numMergedOcc 0
68 mol 274 unq 1 iso 0 dist 5.68643 8.36043 6.01628 7.48637 9.91395 13.4473 numMergedOcc 0
69 mol 274 unq 2 iso 0 dist 8.36043 8.99974 7.65517 8.13367 9.81815 14.9703 numMergedOcc 0
70 mol 274 unq 3 iso 0 dist 8.36043 5.68643 6.01628 8.13367 9.81815 10.5629 numMergedOcc 0
71 mol 274 unq 4 iso 0 dist 8.05503 9.30966 11.568 10.9974 7.79904 17.16 numMergedOcc 0
72 mol 274 unq 5 iso 0 dist 8.05503 9.30966 11.568 16.897 9.02749 17.0107 numMergedOcc 0
73 mol 274 unq 6 iso 0 dist 8.05503 5.38704 6.07831 10.9974 7.79904 12.3343 numMergedOcc 0
74 mol 274 unq 7 iso 0 dist 8.05503 5.38704 6.07831 16.897 9.02749 13.3926 numMergedOcc 0
75 mol 274 unq 8 iso 0 dist 5.59151 8.26695 6.07831 7.60191 7.79904 12.3343 numMergedOcc 0
76 mol 274 unq 9 iso 0 dist 5.59151 8.26695 6.07831 13.8866 9.02749 13.3926 numMergedOcc 0
77 mol 274 unq 10 iso 0 dist 5.59151 8.17922 12.757 7.60191 7.79904 9.86142 numMergedOcc 0
78 mol 274 unq 11 iso 0 dist 5.59151 8.17922 12.757 13.8866 9.02749 18.734 numMergedOcc 0
79 mol 274 unq 12 iso 0 dist 8.17922 8.26695 16.4367 10.374 7.80446 16.9664 numMergedOcc 0
80 mol 274 unq 13 iso 0 dist 8.17922 8.26695 16.4367 7.60191 9.86142 12.3343 numMergedOcc 0
81 mol 274 unq 14 iso 0 dist 8.17922 5.59151 12.757 10.374 7.80446 12.4776 numMergedOcc 0
82 mol 274 unq 15 iso 0 dist 8.17922 5.59151 12.757 7.60191 9.86142 7.79904 numMergedOcc 0
83 mol 274 unq 16 iso 0 dist 9.96645 9.29005 19.0649 6.04536 9.696 11.5132 numMergedOcc 0
84 mol 274 unq 17 iso 0 dist 9.96645 8.16746 17.8293 6.04536 9.696 12.0331 numMergedOcc 0
85 mol 274 unq 18 iso 0 dist 9.29005 9.96645 19.0649 10.2696 6.00877 18.4193 numMergedOcc 0
86 mol 274 unq 19 iso 0 dist 9.29005 8.16746 5.09461 10.2696 6.00877 8.66451 numMergedOcc 0
87 mol 274 unq 20 iso 0 dist 8.16746 9.96645 17.8293 10.2696 8.66451 18.4193 numMergedOcc 0
88 mol 274 unq 21 iso 0 dist 8.16746 9.29005 5.09461 10.2696 8.66451 6.00877 numMergedOcc 0
89 mol 274 unq 22 iso 0 dist 9.2447 7.87268 12.0214 6.12463 9.696 11.6937 numMergedOcc 0
90 mol 277 unq 0 iso 0 dist 9.42812 8.83777 11.4925 10.7202 8.57532 15.5558 numMergedOcc 0
91 mol 277 unq 1 iso 0 dist 9.42812 8.83777 11.4925 17.0927 9.02914 19.9278 numMergedOcc 0
92 mol 277 unq 2 iso 0 dist 9.42812 8.83777 11.4925 16.2915 6.90434 16.3185 numMergedOcc 0
93 mol 280 unq 0 iso 0 dist 9.9227 9.047 11.5166 5.80223 8.85762 13.1827 numMergedOcc 0
94 mol 282 unq 0 iso 0 dist 6.40686 7.14443 6.38894 4.89059 5.67266 5.80981 numMergedOcc 0
95 mol 282 unq 1 iso 0 dist 7.14443 6.40686 6.38894 4.89059 5.80981 5.67266 numMergedOcc 0
96 mol 284 unq 0 iso 0 dist 7.80784 8.38071 5.50433 6.535 8.42412 10.8092 numMergedOcc 0
