0 mol 11 unq 0 iso 0 dist 4.61088 6.54358 4.10106 6.86684 5.96346 6.859 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 4.7319 7.65889 6.86055 6.51133 6.72833 5.94982 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.05803 6.42835 5.01101 5.30082 6.93532 5.94982 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 7.95042 5.69214 8.52463 7.29868 5.80953 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 7.95042 5.11636 8.52463 8.60554 5.80953 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 5.54419 6.6219 4.82629 6.56748 11.3566 9.73647 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 5.54419 5.68215 10.1698 6.56748 11.3566 7.26334 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 5.54419 5.68215 10.1698 4.50066 9.83002 6.19899 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 5.54419 5.68215 10.1698 5.11617 8.4051 6.61696 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 7.36323 8.87744 6.28159 6.38336 8.23446 4.5711 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 7.36323 7.27472 5.50396 6.38336 8.23446 4.44526 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 7.36323 7.27472 5.50396 6.7828 8.75662 9.586 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 5.04899 6.55597 4.69295 5.77929 8.87757 9.16515 numMergedOcc 0
13 mol 25 unq 1 iso 0 dist 5.04899 7.07751 8.79309 5.77929 8.87757 9.82987 numMergedOcc 0
14 mol 25 unq 2 iso 0 dist 5.04899 9.49421 13.6145 5.77929 8.87757 6.53269 numMergedOcc 0
15 mol 25 unq 3 iso 0 dist 5.04899 9.49421 13.6145 6.68639 9.61019 9.81524 numMergedOcc 0
16 mol 25 unq 4 iso 0 dist 5.04899 7.05196 6.47509 7.33728 7.45383 5.20109 numMergedOcc 0
17 mol 25 unq 5 iso 0 dist 7.57578 9.48085 5.18617 6.08585 8.50222 6.53269 numMergedOcc 0
18 mol 25 unq 6 iso 0 dist 7.57578 9.48085 5.18617 9.15781 12.4659 9.81524 numMergedOcc 0
19 mol 25 unq 7 iso 0 dist 7.17969 9.48085 5.68041 6.08585 7.55264 6.53269 numMergedOcc 0
20 mol 25 unq 8 iso 0 dist 7.17969 9.48085 5.68041 9.15781 10.3593 9.81524 numMergedOcc 0
21 mol 25 unq 9 iso 0 dist 7.31767 7.6114 6.10919 5.68392 9.79094 6.29797 numMergedOcc 0
22 mol 25 unq 10 iso 0 dist 6.03987 7.6114 5.86705 5.68392 6.85556 6.29797 numMergedOcc 0
23 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 9.37804 14.2075 9.02642 numMergedOcc 0
24 mol 58 unq 1 iso 0 dist 7.32874 8.69057 5.61579 14.0374 14.2075 9.02642 numMergedOcc 0
25 mol 58 unq 2 iso 0 dist 6.62496 9.22598 9.87158 9.95364 8.80614 9.01564 numMergedOcc 0
26 mol 58 unq 3 iso 0 dist 6.35756 8.96727 9.87158 5.49591 8.80614 9.01564 numMergedOcc 0
27 mol 58 unq 4 iso 0 dist 6.35756 8.01308 5.86526 5.49591 8.80614 7.11065 numMergedOcc 0
28 mol 60 unq 0 iso 0 dist 6.65595 7.57295 7.80499 9.49968 12.1928 6.63448 numMergedOcc 0
29 mol 60 unq 1 iso 0 dist 8.90863 7.48086 7.80499 5.32257 12.1928 6.63448 numMergedOcc 0
30 mol 60 unq 2 iso 0 dist 9.25011 7.57295 5.6397 9.49968 11.3973 6.63448 numMergedOcc 0
31 mol 60 unq 3 iso 0 dist 6.43294 7.57295 8.62476 9.49968 11.816 6.63448 numMergedOcc 0
32 mol 60 unq 4 iso 0 dist 8.7531 8.4312 8.62476 5.94827 11.816 6.63448 numMergedOcc 0
33 mol 60 unq 5 iso 0 dist 8.52121 7.57295 6.55502 9.49968 12.3484 6.63448 numMergedOcc 0
34 mol 72 unq 0 iso 0 dist 9.96708 9.55118 5.69391 11.6378 9.27838 7.58875 numMergedOcc 0
35 mol 72 unq 1 iso 0 dist 9.78528 9.55118 9.78221 11.6378 16.0048 7.58875 numMergedOcc 0
36 mol 73 unq 0 iso 0 dist 9.38498 9.73086 17.4121 5.11416 13.8696 6.14542 numMergedOcc 0
37 mol 73 unq 1 iso 0 dist 9.96396 9.73086 5.70116 5.11416 9.24757 6.14542 numMergedOcc 0
38 mol 73 unq 2 iso 0 dist 6.19304 8.68662 6.20232 6.56633 9.24757 8.96616 numMergedOcc 0
39 mol 73 unq 3 iso 0 dist 6.19304 7.4369 5.70116 6.56633 9.24757 6.14542 numMergedOcc 0
40 mol 73 unq 4 iso 0 dist 9.75218 9.73086 14.844 5.11416 13.0145 6.14542 numMergedOcc 0
41 mol 92 unq 0 iso 0 dist 9.33898 7.06939 4.3481 9.44576 9.75237 6.87506 numMergedOcc 0
42 mol 92 unq 1 iso 0 dist 9.64443 9.36001 5.31547 13.9524 9.75237 6.59716 numMergedOcc 0
43 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 7.94178 11.3043 9.84703 numMergedOcc 0
44 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 4.4057 6.65501 4.62494 numMergedOcc 0
45 mol 98 unq 2 iso 0 dist 6.48948 5.92242 3.9764 15.7178 11.3043 9.84703 numMergedOcc 0
46 mol 98 unq 3 iso 0 dist 6.48948 5.92242 3.9764 7.42446 6.65501 4.62494 numMergedOcc 0
47 mol 98 unq 4 iso 0 dist 6.10456 7.54889 10.4782 9.85543 11.3043 9.25444 numMergedOcc 0
48 mol 98 unq 5 iso 0 dist 6.10456 7.54889 10.4782 9.67482 6.65501 8.46823 numMergedOcc 0
49 mol 98 unq 6 iso 0 dist 6.10456 5.2571 3.9764 9.85543 11.3043 9.84703 numMergedOcc 0
50 mol 98 unq 7 iso 0 dist 6.10456 5.2571 3.9764 9.67482 6.65501 4.62494 numMergedOcc 0
51 mol 100 unq 0 iso 0 dist 8.87449 9.90751 9.72773 6.12107 12.0685 7.81446 numMergedOcc 0
52 mol 100 unq 1 iso 0 dist 8.87449 9.21662 9.39125 6.12107 12.0685 6.55173 numMergedOcc 0
53 mol 100 unq 2 iso 0 dist 8.87449 9.21662 9.39125 5.42531 10.9242 6.59691 numMergedOcc 0
54 mol 100 unq 3 iso 0 dist 9.60661 8.91882 4.03277 6.71012 9.1361 6.55173 numMergedOcc 0
55 mol 100 unq 4 iso 0 dist 9.60661 8.91882 4.03277 5.80144 7.01812 6.59691 numMergedOcc 0
56 mol 100 unq 5 iso 0 dist 6.65086 8.91882 6.23008 6.71012 9.5074 6.55173 numMergedOcc 0
57 mol 100 unq 6 iso 0 dist 6.65086 8.91882 6.23008 5.80144 8.30845 6.59691 numMergedOcc 0
58 mol 109 unq 0 iso 0 dist 8.69985 8.52024 5.00433 7.74599 7.80523 7.56755 numMergedOcc 0
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60 mol 119 unq 1 iso 0 dist 9.87172 6.99446 6.20019 10.8661 11.5311 8.67537 numMergedOcc 0
61 mol 119 unq 2 iso 0 dist 6.18601 8.95212 4.39676 5.13589 6.73586 8.67537 numMergedOcc 0
62 mol 129 unq 0 iso 0 dist 8.54584 5.51197 12.1739 4.92472 12.0256 6.34626 numMergedOcc 0
63 mol 133 unq 0 iso 0 dist 6.29155 8.77023 13.0405 4.54648 6.16242 8.83732 numMergedOcc 0
64 mol 133 unq 1 iso 0 dist 6.80239 8.77023 13.7612 4.54648 5.87634 8.83732 numMergedOcc 0
65 mol 133 unq 2 iso 0 dist 8.00618 8.77023 15.0115 4.54648 10.9061 8.83732 numMergedOcc 0
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67 mol 134 unq 1 iso 0 dist 6.37586 7.93372 8.06642 5.29786 6.23142 9.0176 numMergedOcc 0
68 mol 134 unq 2 iso 0 dist 9.86662 7.21868 4.00092 4.57832 9.94764 9.0176 numMergedOcc 0
69 mol 134 unq 3 iso 0 dist 9.71307 7.93372 4.00092 5.29786 9.94764 9.0176 numMergedOcc 0
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71 mol 143 unq 1 iso 0 dist 5.99315 5.37047 4.78563 5.20762 8.91301 7.5373 numMergedOcc 0
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73 mol 155 unq 1 iso 0 dist 7.46303 8.97626 9.16779 6.89781 10.9606 9.24038 numMergedOcc 0
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75 mol 155 unq 3 iso 0 dist 6.43582 8.97626 4.91785 6.89781 10.3161 9.24038 numMergedOcc 0
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80 mol 181 unq 1 iso 0 dist 8.03334 9.76212 6.50233 4.43096 6.46704 7.35884 numMergedOcc 0
81 mol 181 unq 2 iso 0 dist 7.81386 6.64173 6.8757 5.63555 10.4943 8.12266 numMergedOcc 0
82 mol 181 unq 3 iso 0 dist 7.81386 9.01624 5.71898 7.20191 9.39829 5.99437 numMergedOcc 0
83 mol 181 unq 4 iso 0 dist 7.81386 9.55105 5.83796 5.63555 10.4943 9.43306 numMergedOcc 0
84 mol 181 unq 5 iso 0 dist 7.81386 9.55105 5.83796 7.20191 9.39829 8.4848 numMergedOcc 0
85 mol 181 unq 6 iso 0 dist 7.63312 6.64173 10.6474 5.63555 5.9176 8.12266 numMergedOcc 0
86 mol 181 unq 7 iso 0 dist 7.63312 9.01624 5.93724 7.20191 6.41453 5.99437 numMergedOcc 0
87 mol 181 unq 8 iso 0 dist 7.63312 9.55105 5.12833 5.63555 5.9176 9.43306 numMergedOcc 0
88 mol 181 unq 9 iso 0 dist 7.63312 9.55105 5.12833 7.20191 6.41453 8.4848 numMergedOcc 0
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90 mol 204 unq 1 iso 0 dist 8.51516 7.9133 5.57347 5.86489 7.32294 9.48625 numMergedOcc 0
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92 mol 222 unq 1 iso 0 dist 7.21333 7.48954 9.53117 7.75656 7.67576 8.23406 numMergedOcc 0
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95 mol 224 unq 2 iso 0 dist 6.65832 6.99769 5.76843 9.14278 13.4196 9.05276 numMergedOcc 0
96 mol 224 unq 3 iso 0 dist 6.57273 8.79428 7.05804 7.38836 11.9653 9.25617 numMergedOcc 0
97 mol 224 unq 4 iso 0 dist 6.57273 8.79428 7.05804 12.4832 14.5387 9.05276 numMergedOcc 0
98 mol 224 unq 5 iso 0 dist 6.60589 8.79428 5.76843 7.38836 10.8507 9.25617 numMergedOcc 0
99 mol 224 unq 6 iso 0 dist 6.60589 8.79428 5.76843 12.4832 13.4196 9.05276 numMergedOcc 0
100 mol 224 unq 7 iso 0 dist 5.78342 6.8692 7.05804 10.6079 11.9653 9.25617 numMergedOcc 0
101 mol 224 unq 8 iso 0 dist 5.78342 6.8692 7.05804 11.5752 14.5387 9.05276 numMergedOcc 0
102 mol 224 unq 9 iso 0 dist 9.16166 6.8692 5.76843 10.6079 10.8507 9.25617 numMergedOcc 0
103 mol 224 unq 10 iso 0 dist 9.16166 6.8692 5.76843 11.5752 13.4196 9.05276 numMergedOcc 0
104 mol 224 unq 11 iso 0 dist 5.81334 6.8692 4.54188 10.6079 12.9355 9.25617 numMergedOcc 0
105 mol 224 unq 12 iso 0 dist 5.81334 6.8692 4.54188 11.5752 12.8311 9.05276 numMergedOcc 0
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107 mol 227 unq 1 iso 0 dist 7.22101 5.23634 5.0317 10.9607 5.41321 8.91971 numMergedOcc 0
108 mol 227 unq 2 iso 0 dist 8.65997 6.91318 5.0317 10.204 7.43071 9.18728 numMergedOcc 0
109 mol 227 unq 3 iso 0 dist 8.65997 6.91318 5.0317 9.72615 5.41321 8.91971 numMergedOcc 0
110 mol 227 unq 4 iso 0 dist 7.09863 5.23634 5.83175 6.35849 6.02296 9.18728 numMergedOcc 0
111 mol 227 unq 5 iso 0 dist 7.09863 5.23634 5.83175 10.9607 9.74265 8.91971 numMergedOcc 0
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113 mol 229 unq 1 iso 0 dist 7.03423 7.27993 7.22525 6.65022 11.1976 9.37336 numMergedOcc 0
114 mol 229 unq 2 iso 0 dist 9.87838 6.95201 4.61227 10.2411 13.8021 9.37336 numMergedOcc 0
115 mol 232 unq 0 iso 0 dist 8.27212 6.71524 5.10213 4.9377 9.40808 9.9183 numMergedOcc 0
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118 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 11.169 11.308 8.95511 numMergedOcc 0
119 mol 239 unq 1 iso 0 dist 6.16342 6.73665 10.6736 5.88931 10.3435 5.85002 numMergedOcc 0
120 mol 252 unq 0 iso 0 dist 7.19638 7.15764 7.40852 6.35641 11.0831 8.09509 numMergedOcc 0
121 mol 273 unq 0 iso 0 dist 9.01049 9.59325 12.2939 4.60101 11.6152 6.35532 numMergedOcc 0
122 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 7.70529 16.795 9.26157 numMergedOcc 0
123 mol 292 unq 0 iso 0 dist 8.2734 7.20674 7.8414 8.83082 14.0973 8.62162 numMergedOcc 0
