0 mol 0 unq 0 iso 0 dist 9.6994 9.23213 5.08793 12.9149 12.5416 8.66548 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.15528 9.23213 10.4498 12.9149 15.8082 8.66548 numMergedOcc 0
2 mol 1 unq 0 iso 0 dist 9.00903 8.56884 9.01967 4.50502 10.8992 5.96833 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 6.88805 5.99459 8.81608 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 13.156 9.67164 8.81608 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 5.84314 5.8245 9.71516 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 5.84314 5.8245 9.81658 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 8.34347 6.73162 7.23546 7.11305 14.8317 9.96121 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 8.34347 9.16962 11.887 8.25132 13.6027 5.84066 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 12.466 12.457 5.81001 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 6.20618 8.41778 7.60018 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 6.81627 8.26899 5.98837 5.61579 5.38524 7.03126 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 7.32874 8.26899 4.55117 6.20618 9.97819 7.60018 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 7.32874 8.26899 4.55117 5.61579 8.69057 7.03126 numMergedOcc 0
14 mol 58 unq 4 iso 0 dist 9.55426 8.26899 10.3782 6.20618 14.4477 7.60018 numMergedOcc 0
15 mol 58 unq 5 iso 0 dist 9.55426 8.26899 10.3782 5.61579 13.1897 7.03126 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 10.0679 16.89 9.37102 numMergedOcc 0
17 mol 72 unq 1 iso 0 dist 8.8178 6.77912 12.0644 5.69391 13.6019 5.4605 numMergedOcc 0
18 mol 72 unq 2 iso 0 dist 8.8178 6.77912 12.0644 4.03844 12.4827 6.53824 numMergedOcc 0
19 mol 72 unq 3 iso 0 dist 9.96708 6.77912 7.11552 10.0679 10.7102 9.37102 numMergedOcc 0
20 mol 72 unq 4 iso 0 dist 9.96708 6.77912 7.11552 5.69391 9.55118 5.4605 numMergedOcc 0
21 mol 72 unq 5 iso 0 dist 9.96708 6.77912 7.11552 4.03844 12.111 6.53824 numMergedOcc 0
22 mol 72 unq 6 iso 0 dist 9.96708 7.321 9.0131 7.47371 7.12321 9.14817 numMergedOcc 0
23 mol 72 unq 7 iso 0 dist 9.96708 7.321 9.0131 9.67587 9.35457 9.76686 numMergedOcc 0
24 mol 72 unq 8 iso 0 dist 9.96708 7.321 9.0131 7.07356 12.1131 9.437 numMergedOcc 0
25 mol 72 unq 9 iso 0 dist 9.78528 7.321 6.11922 7.47371 6.21799 9.14817 numMergedOcc 0
26 mol 72 unq 10 iso 0 dist 9.78528 7.321 6.11922 9.67587 5.03251 9.76686 numMergedOcc 0
27 mol 72 unq 11 iso 0 dist 9.78528 7.321 6.11922 7.07356 7.66093 9.437 numMergedOcc 0
28 mol 86 unq 0 iso 0 dist 9.5497 7.79359 9.68893 5.9022 12.2025 5.88159 numMergedOcc 0
29 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 6.35679 14.6042 8.38791 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 9.33865 7.64585 10.2377 6.95773 6.24825 7.65255 numMergedOcc 0
31 mol 115 unq 1 iso 0 dist 9.33865 7.76729 10.7942 6.63111 6.39384 8.0168 numMergedOcc 0
32 mol 115 unq 2 iso 0 dist 5.83991 7.76729 10.9739 6.63111 9.42082 8.0168 numMergedOcc 0
33 mol 115 unq 3 iso 0 dist 6.11741 7.64585 10.8939 6.95773 10.0255 7.65255 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 9.84395 6.62561 11.3679 7.20875 16.804 9.94053 numMergedOcc 0
35 mol 117 unq 1 iso 0 dist 7.90328 6.62561 4.91401 7.20875 8.84018 9.94053 numMergedOcc 0
36 mol 117 unq 2 iso 0 dist 7.83136 7.63616 4.91401 3.77029 8.84018 9.94053 numMergedOcc 0
37 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 6.9194 12.31 6.55202 numMergedOcc 0
38 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 9.68677 7.64052 9.08536 numMergedOcc 0
39 mol 119 unq 2 iso 0 dist 9.87172 6.19042 6.35763 6.20019 6.99446 6.13374 numMergedOcc 0
40 mol 119 unq 3 iso 0 dist 9.87172 7.44174 7.36192 12.4621 11.2897 6.55202 numMergedOcc 0
41 mol 119 unq 4 iso 0 dist 9.87172 7.44174 7.36192 6.20019 6.99446 9.08536 numMergedOcc 0
42 mol 119 unq 5 iso 0 dist 6.18601 8.43904 10.3457 4.39676 8.95212 6.13374 numMergedOcc 0
43 mol 126 unq 0 iso 0 dist 6.06638 7.75534 7.01257 5.42561 8.96947 8.7789 numMergedOcc 0
44 mol 126 unq 1 iso 0 dist 6.06638 7.75534 7.01257 10.7549 11.4624 9.93613 numMergedOcc 0
45 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 7.52422 13.7122 8.9677 numMergedOcc 0
46 mol 133 unq 0 iso 0 dist 7.11802 7.92688 4.68409 14.8533 13.5288 9.10003 numMergedOcc 0
47 mol 133 unq 1 iso 0 dist 8.00618 7.92688 12.2037 14.8533 20.9604 9.10003 numMergedOcc 0
48 mol 155 unq 0 iso 0 dist 6.43582 9.38946 12.8482 4.91785 8.97626 7.29911 numMergedOcc 0
49 mol 155 unq 1 iso 0 dist 6.43582 7.36102 8.27726 4.91785 8.97626 5.36254 numMergedOcc 0
50 mol 175 unq 0 iso 0 dist 9.0018 9.31887 11.0415 5.00913 13.6764 9.76114 numMergedOcc 0
51 mol 175 unq 1 iso 0 dist 7.652 9.31887 5.0384 5.00913 10.1305 9.76114 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 7.81386 4.93785 6.7991 6.8757 6.64173 9.09234 numMergedOcc 0
53 mol 181 unq 1 iso 0 dist 7.81386 4.93785 6.7991 5.71898 9.01624 6.76746 numMergedOcc 0
54 mol 181 unq 2 iso 0 dist 7.81386 4.93785 6.7991 5.83796 9.55105 8.92098 numMergedOcc 0
55 mol 182 unq 0 iso 0 dist 9.31746 6.73313 11.1088 4.88992 13.5224 5.73635 numMergedOcc 0
56 mol 197 unq 0 iso 0 dist 8.56633 8.99696 9.82139 17.0276 12.8171 9.27218 numMergedOcc 0
57 mol 214 unq 0 iso 0 dist 8.85478 7.46831 6.67959 11.1534 7.46481 8.70987 numMergedOcc 0
58 mol 224 unq 0 iso 0 dist 9.40098 8.19953 8.64911 5.13732 11.2501 5.73591 numMergedOcc 0
59 mol 224 unq 1 iso 0 dist 6.61986 8.19953 10.7113 5.13732 8.08349 5.73591 numMergedOcc 0
60 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 4.1511 9.91384 7.79951 numMergedOcc 0
61 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 14.6485 15.9467 9.8009 numMergedOcc 0
62 mol 227 unq 2 iso 0 dist 8.65997 6.95902 6.43754 4.69247 9.91384 7.79951 numMergedOcc 0
63 mol 227 unq 3 iso 0 dist 7.09863 8.17891 9.13836 4.1511 10.3016 7.79951 numMergedOcc 0
64 mol 234 unq 0 iso 0 dist 8.34494 6.25105 10.3337 5.53885 13.7549 7.36208 numMergedOcc 0
65 mol 234 unq 1 iso 0 dist 6.56247 6.25105 11.216 5.53885 11.1872 7.36208 numMergedOcc 0
66 mol 234 unq 2 iso 0 dist 9.36357 6.25105 11.4315 5.53885 10.5689 7.36208 numMergedOcc 0
67 mol 234 unq 3 iso 0 dist 9.45496 9.5707 15.9563 3.95629 11.1872 8.27411 numMergedOcc 0
68 mol 234 unq 4 iso 0 dist 9.45496 9.5707 15.9563 15.9732 20.7134 6.96257 numMergedOcc 0
69 mol 234 unq 5 iso 0 dist 9.45496 7.85175 11.216 3.95629 11.1872 7.36208 numMergedOcc 0
70 mol 234 unq 6 iso 0 dist 6.7625 9.5707 14.4106 3.95629 10.5689 8.27411 numMergedOcc 0
71 mol 234 unq 7 iso 0 dist 6.7625 9.5707 14.4106 15.9732 19.3876 6.96257 numMergedOcc 0
72 mol 234 unq 8 iso 0 dist 6.7625 7.85175 11.4315 3.95629 10.5689 7.36208 numMergedOcc 0
73 mol 234 unq 9 iso 0 dist 8.41436 6.16063 11.3297 13.1872 17.3846 9.11572 numMergedOcc 0
74 mol 234 unq 10 iso 0 dist 8.92474 6.16063 10.2563 13.1872 11.3419 9.11572 numMergedOcc 0
75 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 13.7306 13.8176 7.02029 numMergedOcc 0
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77 mol 238 unq 1 iso 0 dist 6.22714 7.49471 5.17471 12.7938 9.08509 5.43613 numMergedOcc 0
78 mol 238 unq 2 iso 0 dist 6.22714 7.49471 5.17471 6.82305 10.1172 7.24334 numMergedOcc 0
79 mol 238 unq 3 iso 0 dist 7.31233 6.55759 10.4664 10.4966 9.7696 9.38131 numMergedOcc 0
80 mol 238 unq 4 iso 0 dist 7.31233 7.02475 11.2717 10.4966 9.7696 6.85253 numMergedOcc 0
81 mol 238 unq 5 iso 0 dist 7.31233 7.67322 12.6986 5.71717 10.1172 7.39547 numMergedOcc 0
82 mol 238 unq 6 iso 0 dist 7.31233 7.19008 5.17471 11.0772 9.08509 5.43613 numMergedOcc 0
83 mol 238 unq 7 iso 0 dist 7.31233 7.19008 5.17471 5.71717 10.1172 7.24334 numMergedOcc 0
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85 mol 248 unq 1 iso 0 dist 7.21521 6.07192 5.51827 4.58289 9.33962 5.0345 numMergedOcc 0
86 mol 248 unq 2 iso 0 dist 8.2965 6.07192 9.29921 4.58289 11.4547 5.0345 numMergedOcc 0
87 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 10.282 14.2242 8.84648 numMergedOcc 0
88 mol 259 unq 1 iso 0 dist 7.88519 7.48005 11.6195 10.067 10.3406 6.23661 numMergedOcc 0
89 mol 259 unq 2 iso 0 dist 7.84554 7.48005 11.8736 10.282 16.7322 8.84648 numMergedOcc 0
90 mol 259 unq 3 iso 0 dist 7.84554 7.48005 11.8736 10.067 12.8546 6.23661 numMergedOcc 0
91 mol 259 unq 4 iso 0 dist 7.46176 7.48005 5.79468 10.282 11.7465 8.84648 numMergedOcc 0
92 mol 259 unq 5 iso 0 dist 7.46176 7.48005 5.79468 10.067 5.85442 6.23661 numMergedOcc 0
93 mol 259 unq 6 iso 0 dist 5.30224 8.37865 5.31048 4.04513 8.03219 8.84648 numMergedOcc 0
94 mol 259 unq 7 iso 0 dist 5.30224 8.37865 5.31048 7.09907 6.9899 6.23661 numMergedOcc 0
95 mol 259 unq 8 iso 0 dist 9.18903 7.48005 12.6649 10.282 19.0182 8.84648 numMergedOcc 0
96 mol 259 unq 9 iso 0 dist 9.18903 7.48005 12.6649 10.067 16.0301 6.23661 numMergedOcc 0
97 mol 272 unq 0 iso 0 dist 8.48753 7.67853 6.64985 5.12237 6.44147 8.84523 numMergedOcc 0
98 mol 272 unq 1 iso 0 dist 8.48753 7.67853 6.64985 5.41667 11.4951 6.95241 numMergedOcc 0
99 mol 274 unq 0 iso 0 dist 8.49997 7.97444 6.8406 5.58776 12.9576 9.23897 numMergedOcc 0
100 mol 282 unq 0 iso 0 dist 8.04483 6.85028 6.3384 4.57104 10.2229 7.52924 numMergedOcc 0
101 mol 282 unq 1 iso 0 dist 6.33524 7.32347 6.3384 5.29852 10.2229 7.52924 numMergedOcc 0
