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1 mol 7 unq 1 iso 0 dist 7.5298 14.06 7.21217 12.3221 6.09254 7.10621 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.94874 5.77391 7.21217 11.9671 6.09254 7.10621 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.65729 5.39064 6.29703 8.4361 5.64581 4.86568 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 7.72142 5.40044 8.47315 6.28033 5.59769 4.7319 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 8.46837 11.958 8.33883 11.8413 5.38671 5.05803 numMergedOcc 0
6 mol 16 unq 3 iso 0 dist 8.46837 11.958 8.33883 9.59856 5.45161 6.31718 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 6.17472 5.3372 6.87871 13.0456 8.95909 9.24927 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 15.7652 10.323 8.80331 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 8.58709 9.69698 9.74445 15.8918 14.445 6.20293 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 7.53564 5.90113 9.74445 9.17086 10.323 8.80331 numMergedOcc 0
11 mol 43 unq 3 iso 0 dist 7.53564 5.90113 9.74445 10.615 14.445 6.20293 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 6.10175 5.65405 5.59773 14.4402 13.9079 9.5589 numMergedOcc 0
13 mol 54 unq 1 iso 0 dist 6.10175 5.65405 5.59773 10.5929 10.4238 6.83299 numMergedOcc 0
14 mol 54 unq 2 iso 0 dist 6.10175 5.65405 5.59773 6.54183 10.1356 8.10861 numMergedOcc 0
15 mol 60 unq 0 iso 0 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 numMergedOcc 0
16 mol 60 unq 1 iso 0 dist 4.96897 6.96065 5.83937 14.2472 10.9885 9.25011 numMergedOcc 0
17 mol 60 unq 2 iso 0 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 numMergedOcc 0
18 mol 60 unq 3 iso 0 dist 4.96897 6.96065 5.83937 14.7815 11.2445 8.52121 numMergedOcc 0
19 mol 61 unq 0 iso 0 dist 6.85094 7.15161 5.92705 10.5531 5.4671 6.65721 numMergedOcc 0
20 mol 61 unq 1 iso 0 dist 6.85094 7.15161 5.92705 13.6393 10.1513 6.72123 numMergedOcc 0
21 mol 61 unq 2 iso 0 dist 9.94756 18.7183 9.62468 20.4711 10.7369 6.65721 numMergedOcc 0
22 mol 61 unq 3 iso 0 dist 9.94756 18.7183 9.62468 19.7171 11.5608 6.72123 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 numMergedOcc 0
25 mol 73 unq 2 iso 0 dist 7.84699 13.4367 6.89722 19.5696 13.9156 8.70481 numMergedOcc 0
26 mol 73 unq 3 iso 0 dist 8.40844 5.33851 9.68526 10.1112 8.31041 9.38498 numMergedOcc 0
27 mol 73 unq 4 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 numMergedOcc 0
28 mol 73 unq 5 iso 0 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 numMergedOcc 0
29 mol 73 unq 6 iso 0 dist 8.40844 13.4367 7.26679 19.5696 11.2674 8.70481 numMergedOcc 0
30 mol 73 unq 7 iso 0 dist 8.40844 15.7164 9.30776 10.1112 8.31041 9.75218 numMergedOcc 0
31 mol 73 unq 8 iso 0 dist 6.99156 5.33851 9.72442 10.1112 11.7069 9.38498 numMergedOcc 0
32 mol 73 unq 9 iso 0 dist 7.02351 13.6586 9.68526 11.0108 8.31041 9.38498 numMergedOcc 0
33 mol 73 unq 10 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 numMergedOcc 0
34 mol 73 unq 11 iso 0 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 numMergedOcc 0
35 mol 73 unq 12 iso 0 dist 7.02351 10.3774 7.26679 8.16299 11.2674 8.70481 numMergedOcc 0
36 mol 73 unq 13 iso 0 dist 7.02351 4.15333 9.30776 11.0108 8.31041 9.75218 numMergedOcc 0
37 mol 73 unq 14 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 numMergedOcc 0
38 mol 73 unq 15 iso 0 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 numMergedOcc 0
39 mol 73 unq 16 iso 0 dist 7.53504 9.64124 6.89722 12.2721 13.9156 8.70481 numMergedOcc 0
40 mol 73 unq 17 iso 0 dist 8.66342 16.8585 9.68526 16.3948 8.31041 9.38498 numMergedOcc 0
41 mol 73 unq 18 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 numMergedOcc 0
42 mol 73 unq 19 iso 0 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 numMergedOcc 0
43 mol 73 unq 20 iso 0 dist 8.66342 9.64124 7.26679 12.2721 11.2674 8.70481 numMergedOcc 0
44 mol 73 unq 21 iso 0 dist 8.66342 16.0481 9.30776 16.3948 8.31041 9.75218 numMergedOcc 0
45 mol 73 unq 22 iso 0 dist 7.21285 16.8585 9.72442 16.3948 11.7069 9.38498 numMergedOcc 0
46 mol 92 unq 0 iso 0 dist 4.85152 11.1785 9.514 11.1915 11.8037 7.4729 numMergedOcc 0
47 mol 101 unq 0 iso 0 dist 5.51185 9.11989 8.77773 8.97911 5.16122 6.57035 numMergedOcc 0
48 mol 102 unq 0 iso 0 dist 9.61113 13.9809 9.01767 12.1389 6.42572 7.36792 numMergedOcc 0
49 mol 102 unq 1 iso 0 dist 7.59973 13.9809 9.80678 12.1389 5.54551 7.36792 numMergedOcc 0
50 mol 102 unq 2 iso 0 dist 7.73836 5.09542 9.01767 9.84673 6.42572 7.36792 numMergedOcc 0
51 mol 114 unq 0 iso 0 dist 8.592 9.52181 8.42445 11.8382 7.18757 7.5732 numMergedOcc 0
52 mol 117 unq 0 iso 0 dist 5.24519 5.34484 7.70533 8.81172 6.29427 9.84395 numMergedOcc 0
53 mol 117 unq 1 iso 0 dist 5.24519 5.34484 7.70533 11.6152 14.3476 7.90328 numMergedOcc 0
54 mol 117 unq 2 iso 0 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 numMergedOcc 0
55 mol 117 unq 3 iso 0 dist 8.30003 5.21051 9.85576 11.0698 14.2649 7.83136 numMergedOcc 0
56 mol 117 unq 4 iso 0 dist 8.30003 5.21051 9.85576 10.5123 9.53886 7.0603 numMergedOcc 0
57 mol 122 unq 0 iso 0 dist 9.44209 11.9943 8.33083 18.0518 12.4383 8.37808 numMergedOcc 0
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60 mol 130 unq 1 iso 0 dist 7.86001 5.63567 7.83619 12.6804 10.0837 9.28393 numMergedOcc 0
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62 mol 131 unq 1 iso 0 dist 8.7301 5.29825 6.5874 12.0117 7.60371 6.85062 numMergedOcc 0
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64 mol 142 unq 1 iso 0 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 numMergedOcc 0
65 mol 142 unq 2 iso 0 dist 5.1557 6.01403 7.57458 13.7988 14.2067 8.96657 numMergedOcc 0
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67 mol 142 unq 4 iso 0 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 numMergedOcc 0
68 mol 142 unq 5 iso 0 dist 9.5355 8.68855 7.57458 15.3413 14.2067 8.96657 numMergedOcc 0
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70 mol 152 unq 1 iso 0 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 numMergedOcc 0
71 mol 152 unq 2 iso 0 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 numMergedOcc 0
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104 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 numMergedOcc 0
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106 mol 227 unq 4 iso 0 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 numMergedOcc 0
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120 mol 252 unq 4 iso 0 dist 9.42193 14.864 9.73021 19.2417 12.5855 9.2288 numMergedOcc 0
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126 mol 259 unq 2 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 numMergedOcc 0
127 mol 259 unq 3 iso 0 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 numMergedOcc 0
128 mol 259 unq 4 iso 0 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 numMergedOcc 0
129 mol 259 unq 5 iso 0 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 numMergedOcc 0
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132 mol 274 unq 2 iso 0 dist 9.96645 6.04536 9.696 12.1604 10.7962 7.56915 numMergedOcc 0
133 mol 274 unq 3 iso 0 dist 9.96645 6.04536 9.696 11.4986 5.1874 8.49997 numMergedOcc 0
134 mol 274 unq 4 iso 0 dist 9.2447 6.12463 9.696 12.2117 10.7962 7.56915 numMergedOcc 0
135 mol 274 unq 5 iso 0 dist 9.2447 6.12463 9.696 10.1296 5.1874 8.49997 numMergedOcc 0
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142 mol 282 unq 1 iso 0 dist 6.40686 4.89059 5.67266 10.161 4.58403 8.76532 numMergedOcc 0
143 mol 282 unq 2 iso 0 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 numMergedOcc 0
144 mol 282 unq 3 iso 0 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 numMergedOcc 0
145 mol 282 unq 4 iso 0 dist 7.14443 4.89059 5.80981 10.161 10.5698 8.76532 numMergedOcc 0
146 mol 282 unq 5 iso 0 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 numMergedOcc 0
