0 mol 7 unq 0 iso 0 dist 7.5298 8.85869 5.38328 13.8023 8.94874 13.7 14.06 7.21217 10.2729 5.77391 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.5298 7.87568 5.02731 13.8023 8.94874 10.3158 14.06 7.21217 10.557 5.77391 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 5.62629 8.34632 5.20168 5.90603 6.15118 11.1898 5.33255 9.70148 11.2187 9.70697 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.84699 8.40844 5.47475 13.6926 7.53504 8.66342 13.4367 6.89722 7.26679 9.64124 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.84699 6.99156 5.05066 13.6926 7.53504 7.21285 13.4367 6.89722 10.1503 9.64124 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.40844 7.84699 5.47475 14.5875 7.02351 12.1654 5.33851 9.68526 11.7436 13.6586 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.40844 7.84699 5.47475 14.5875 7.02351 12.1654 13.4367 7.26679 6.89722 10.3774 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.40844 7.84699 5.47475 14.5875 7.02351 12.1654 15.7164 9.30776 14.4206 4.15333 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 8.40844 7.84699 5.47475 13.6926 8.66342 7.53504 5.33851 9.68526 11.7436 16.8585 numMergedOcc 0
9 mol 73 unq 6 iso 0 dist 8.40844 7.84699 5.47475 13.6926 8.66342 7.53504 13.4367 7.26679 6.89722 9.64124 numMergedOcc 0
10 mol 73 unq 7 iso 0 dist 8.40844 7.84699 5.47475 13.6926 8.66342 7.53504 15.7164 9.30776 14.4206 16.0481 numMergedOcc 0
11 mol 73 unq 8 iso 0 dist 8.40844 6.99156 4.4628 14.5875 7.02351 10.4593 5.33851 9.68526 9.72442 13.6586 numMergedOcc 0
12 mol 73 unq 9 iso 0 dist 8.40844 6.99156 4.4628 14.5875 7.02351 10.4593 13.4367 7.26679 10.1503 10.3774 numMergedOcc 0
13 mol 73 unq 10 iso 0 dist 8.40844 6.99156 4.4628 14.5875 7.02351 10.4593 15.7164 9.30776 13.2514 4.15333 numMergedOcc 0
14 mol 73 unq 11 iso 0 dist 8.40844 6.99156 4.4628 13.6926 8.66342 7.21285 5.33851 9.68526 9.72442 16.8585 numMergedOcc 0
15 mol 73 unq 12 iso 0 dist 8.40844 6.99156 4.4628 13.6926 8.66342 7.21285 13.4367 7.26679 10.1503 9.64124 numMergedOcc 0
16 mol 73 unq 13 iso 0 dist 8.40844 6.99156 4.4628 13.6926 8.66342 7.21285 15.7164 9.30776 13.2514 16.0481 numMergedOcc 0
17 mol 73 unq 14 iso 0 dist 6.99156 7.84699 5.05066 13.6926 7.21285 7.53504 5.33851 9.72442 11.7436 16.8585 numMergedOcc 0
18 mol 73 unq 15 iso 0 dist 6.99156 7.84699 5.05066 13.6926 7.21285 7.53504 16.0086 9.02288 11.1478 4.91508 numMergedOcc 0
19 mol 73 unq 16 iso 0 dist 6.99156 8.40844 4.4628 13.6926 7.21285 8.66342 5.33851 9.72442 9.68526 16.8585 numMergedOcc 0
20 mol 73 unq 17 iso 0 dist 6.99156 8.40844 4.4628 13.6926 7.21285 8.66342 16.0086 9.02288 9.75201 4.91508 numMergedOcc 0
21 mol 73 unq 18 iso 0 dist 7.53504 8.66342 5.47475 13.6926 7.84699 8.40844 9.64124 6.89722 7.26679 13.4367 numMergedOcc 0
22 mol 73 unq 19 iso 0 dist 7.53504 7.21285 5.05066 13.6926 7.84699 6.99156 9.64124 6.89722 10.1503 13.4367 numMergedOcc 0
23 mol 73 unq 20 iso 0 dist 7.53504 6.95094 9.51715 13.6926 7.84699 12.2348 9.64124 6.89722 14.918 13.4367 numMergedOcc 0
24 mol 73 unq 21 iso 0 dist 8.66342 7.53504 5.47475 13.6926 8.40844 7.84699 16.8585 9.68526 11.7436 5.33851 numMergedOcc 0
25 mol 73 unq 22 iso 0 dist 8.66342 7.53504 5.47475 13.6926 8.40844 7.84699 9.64124 7.26679 6.89722 13.4367 numMergedOcc 0
26 mol 73 unq 23 iso 0 dist 8.66342 7.53504 5.47475 13.6926 8.40844 7.84699 16.0481 9.30776 14.4206 15.7164 numMergedOcc 0
27 mol 73 unq 24 iso 0 dist 8.66342 7.53504 5.47475 12.3241 7.02351 12.1654 16.8585 9.68526 11.7436 13.6586 numMergedOcc 0
28 mol 73 unq 25 iso 0 dist 8.66342 7.53504 5.47475 12.3241 7.02351 12.1654 9.64124 7.26679 6.89722 10.3774 numMergedOcc 0
29 mol 73 unq 26 iso 0 dist 8.66342 7.53504 5.47475 12.3241 7.02351 12.1654 16.0481 9.30776 14.4206 4.15333 numMergedOcc 0
30 mol 73 unq 27 iso 0 dist 8.66342 7.21285 4.4628 13.6926 8.40844 6.99156 16.8585 9.68526 9.72442 5.33851 numMergedOcc 0
31 mol 73 unq 28 iso 0 dist 8.66342 7.21285 4.4628 13.6926 8.40844 6.99156 9.64124 7.26679 10.1503 13.4367 numMergedOcc 0
32 mol 73 unq 29 iso 0 dist 8.66342 7.21285 4.4628 13.6926 8.40844 6.99156 16.0481 9.30776 13.2514 15.7164 numMergedOcc 0
33 mol 73 unq 30 iso 0 dist 8.66342 7.21285 4.4628 12.3241 7.02351 10.4593 16.8585 9.68526 9.72442 13.6586 numMergedOcc 0
34 mol 73 unq 31 iso 0 dist 8.66342 7.21285 4.4628 12.3241 7.02351 10.4593 9.64124 7.26679 10.1503 10.3774 numMergedOcc 0
35 mol 73 unq 32 iso 0 dist 8.66342 7.21285 4.4628 12.3241 7.02351 10.4593 16.0481 9.30776 13.2514 4.15333 numMergedOcc 0
36 mol 73 unq 33 iso 0 dist 8.66342 6.95094 11.6754 13.6926 8.40844 12.2348 16.8585 9.68526 16.0684 5.33851 numMergedOcc 0
37 mol 73 unq 34 iso 0 dist 8.66342 6.95094 11.6754 13.6926 8.40844 12.2348 9.64124 7.26679 14.918 13.4367 numMergedOcc 0
38 mol 73 unq 35 iso 0 dist 8.66342 6.95094 11.6754 13.6926 8.40844 12.2348 16.0481 9.30776 20.2103 15.7164 numMergedOcc 0
39 mol 73 unq 36 iso 0 dist 8.66342 6.95094 11.6754 12.3241 7.02351 16.7273 16.8585 9.68526 16.0684 13.6586 numMergedOcc 0
40 mol 73 unq 37 iso 0 dist 8.66342 6.95094 11.6754 12.3241 7.02351 16.7273 9.64124 7.26679 14.918 10.3774 numMergedOcc 0
41 mol 73 unq 38 iso 0 dist 8.66342 6.95094 11.6754 12.3241 7.02351 16.7273 16.0481 9.30776 20.2103 4.15333 numMergedOcc 0
42 mol 73 unq 39 iso 0 dist 7.21285 7.53504 5.05066 13.6926 6.99156 7.84699 16.8585 9.72442 11.7436 5.33851 numMergedOcc 0
43 mol 73 unq 40 iso 0 dist 7.21285 7.53504 5.05066 13.6926 6.99156 7.84699 4.91508 9.02288 11.1478 16.0086 numMergedOcc 0
44 mol 73 unq 41 iso 0 dist 7.21285 8.66342 4.4628 13.6926 6.99156 8.40844 16.8585 9.72442 9.68526 5.33851 numMergedOcc 0
45 mol 73 unq 42 iso 0 dist 7.21285 8.66342 4.4628 13.6926 6.99156 8.40844 4.91508 9.02288 9.75201 16.0086 numMergedOcc 0
46 mol 73 unq 43 iso 0 dist 7.21285 6.95094 7.64038 13.6926 6.99156 12.2348 16.8585 9.72442 16.0684 5.33851 numMergedOcc 0
47 mol 73 unq 44 iso 0 dist 7.21285 6.95094 7.64038 13.6926 6.99156 12.2348 4.91508 9.02288 9.58544 16.0086 numMergedOcc 0
48 mol 98 unq 0 iso 0 dist 8.6728 9.36989 12.1484 11.7765 7.26246 18.5703 10.602 7.38759 17.1311 4.82943 numMergedOcc 0
49 mol 102 unq 0 iso 0 dist 9.61113 7.59973 7.56811 12.0662 7.73836 10.8539 13.9809 9.01767 9.80678 5.09542 numMergedOcc 0
50 mol 156 unq 0 iso 0 dist 6.67598 8.98636 5.58471 14.2743 8.34508 11.7694 5.66289 7.30021 12.0043 12.7636 numMergedOcc 0
51 mol 156 unq 1 iso 0 dist 6.67598 8.79185 10.7024 14.2743 8.34508 18.4279 5.66289 7.30021 10.0734 12.7636 numMergedOcc 0
52 mol 205 unq 0 iso 0 dist 5.94835 6.76947 6.26321 11.1418 8.21112 13.8569 5.30941 7.07183 11.098 7.42296 numMergedOcc 0
53 mol 205 unq 1 iso 0 dist 5.94835 6.76947 6.26321 10.4273 7.06533 11.3296 5.30941 7.07183 11.098 8.60418 numMergedOcc 0
54 mol 211 unq 0 iso 0 dist 9.45365 7.14732 9.23863 4.78922 7.15386 10.0622 8.91121 8.63308 11.6517 7.03173 numMergedOcc 0
55 mol 211 unq 1 iso 0 dist 9.45365 7.14732 9.23863 8.05917 7.73993 11.9605 8.91121 8.63308 11.6517 11.6621 numMergedOcc 0
56 mol 211 unq 2 iso 0 dist 7.15386 9.63472 10.7154 4.78922 9.45365 10.2433 7.03173 8.63308 16.1785 8.91121 numMergedOcc 0
57 mol 211 unq 3 iso 0 dist 7.15386 9.63472 10.7154 5.16245 7.73993 5.42004 7.03173 8.63308 16.1785 11.6621 numMergedOcc 0
58 mol 211 unq 4 iso 0 dist 7.73993 5.42004 10.7154 5.16245 7.15386 9.63472 11.6621 8.63308 16.1785 7.03173 numMergedOcc 0
59 mol 211 unq 5 iso 0 dist 7.73993 5.42004 10.7154 8.05917 9.45365 10.2433 11.6621 8.63308 16.1785 8.91121 numMergedOcc 0
60 mol 224 unq 0 iso 0 dist 7.7163 9.2 5.75133 5.51581 9.06201 12.9943 11.8217 9.34636 12.8171 11.9904 numMergedOcc 0
61 mol 224 unq 1 iso 0 dist 7.7163 9.2 5.75133 5.51581 9.06201 12.9943 10.8463 9.79616 11.1052 13.0574 numMergedOcc 0
62 mol 230 unq 0 iso 0 dist 5.00735 6.73755 5.38279 10.6003 9.27643 12.9267 6.33989 8.43766 10.6474 6.63414 numMergedOcc 0
63 mol 274 unq 0 iso 0 dist 8.05503 9.30966 11.568 11.2805 7.59956 14.7794 10.9974 7.79904 17.16 4.89399 numMergedOcc 0
64 mol 274 unq 1 iso 0 dist 8.05503 9.30966 11.568 11.2805 7.59956 14.7794 16.897 9.02749 17.0107 11.3084 numMergedOcc 0
65 mol 274 unq 2 iso 0 dist 8.05503 9.30966 11.568 6.61591 5.59151 14.1205 10.9974 7.79904 17.16 7.60191 numMergedOcc 0
66 mol 274 unq 3 iso 0 dist 8.05503 9.30966 11.568 6.61591 5.59151 14.1205 16.897 9.02749 17.0107 13.8866 numMergedOcc 0
67 mol 274 unq 4 iso 0 dist 8.05503 5.38704 6.07831 11.2805 7.59956 11.2121 10.9974 7.79904 12.3343 4.89399 numMergedOcc 0
68 mol 274 unq 5 iso 0 dist 8.05503 5.38704 6.07831 11.2805 7.59956 11.2121 16.897 9.02749 13.3926 11.3084 numMergedOcc 0
69 mol 274 unq 6 iso 0 dist 8.05503 5.38704 6.07831 6.61591 5.59151 8.26695 10.9974 7.79904 12.3343 7.60191 numMergedOcc 0
70 mol 274 unq 7 iso 0 dist 8.05503 5.38704 6.07831 6.61591 5.59151 8.26695 16.897 9.02749 13.3926 13.8866 numMergedOcc 0
71 mol 274 unq 8 iso 0 dist 5.59151 8.26695 6.07831 10.1205 7.59956 11.2121 7.60191 7.79904 12.3343 4.89399 numMergedOcc 0
72 mol 274 unq 9 iso 0 dist 5.59151 8.26695 6.07831 10.1205 7.59956 11.2121 13.8866 9.02749 13.3926 11.3084 numMergedOcc 0
73 mol 274 unq 10 iso 0 dist 5.59151 8.26695 6.07831 6.61591 8.05503 5.38704 7.60191 7.79904 12.3343 10.9974 numMergedOcc 0
74 mol 274 unq 11 iso 0 dist 5.59151 8.26695 6.07831 6.61591 8.05503 5.38704 13.8866 9.02749 13.3926 16.897 numMergedOcc 0
75 mol 274 unq 12 iso 0 dist 5.59151 8.17922 12.757 10.1205 7.59956 14.5587 7.60191 7.79904 9.86142 4.89399 numMergedOcc 0
76 mol 274 unq 13 iso 0 dist 5.59151 8.17922 12.757 10.1205 7.59956 14.5587 13.8866 9.02749 18.734 11.3084 numMergedOcc 0
77 mol 274 unq 14 iso 0 dist 5.59151 8.17922 12.757 6.61591 8.05503 13.7143 7.60191 7.79904 9.86142 10.9974 numMergedOcc 0
78 mol 274 unq 15 iso 0 dist 5.59151 8.17922 12.757 6.61591 8.05503 13.7143 13.8866 9.02749 18.734 16.897 numMergedOcc 0
79 mol 274 unq 16 iso 0 dist 9.96645 9.29005 19.0649 7.90361 9.2447 13.7112 6.04536 9.696 11.5132 6.12463 numMergedOcc 0
80 mol 274 unq 17 iso 0 dist 9.96645 8.16746 17.8293 7.90361 9.2447 15.0357 6.04536 9.696 12.0331 6.12463 numMergedOcc 0
81 mol 274 unq 18 iso 0 dist 9.29005 9.96645 19.0649 7.42692 7.24089 14.6557 10.2696 6.00877 18.4193 5.56999 numMergedOcc 0
82 mol 274 unq 19 iso 0 dist 9.29005 8.16746 5.09461 7.42692 7.24089 10.0585 10.2696 6.00877 8.66451 5.56999 numMergedOcc 0
83 mol 274 unq 20 iso 0 dist 9.2447 7.87268 12.0214 7.90361 9.96645 15.3964 6.12463 9.696 11.6937 6.04536 numMergedOcc 0
