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1 mol 7 unq 0 iso 1 dist 9.36807 13.2247 6.36911 13.156 8.81608 6.88805 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.52106 5.51376 6.32451 11.5747 9.35863 6.96996 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 6.32451 5.51376 8.52106 6.96996 9.35863 11.5747 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 8.52106 5.51376 6.32451 6.11048 5.04478 4.52259 numMergedOcc 0
5 mol 18 unq 1 iso 1 dist 6.32451 5.51376 8.52106 4.52259 5.04478 6.11048 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 6.4934 8.77584 6.93199 5.48225 5.9809 7.06175 numMergedOcc 0
7 mol 20 unq 0 iso 1 dist 6.93199 8.77584 6.4934 7.06175 5.9809 5.48225 numMergedOcc 0
8 mol 20 unq 1 iso 0 dist 6.4934 8.77584 6.93199 9.03258 5.83917 3.79581 numMergedOcc 0
9 mol 20 unq 1 iso 1 dist 6.93199 8.77584 6.4934 3.79581 5.83917 9.03258 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 8.82012 13.2136 9.16962 5.56139 5.84066 8.25132 numMergedOcc 0
11 mol 26 unq 0 iso 1 dist 9.16962 13.2136 8.82012 8.25132 5.84066 5.56139 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 9.33535 7.08557 8.26899 7.00806 7.60018 6.20618 numMergedOcc 0
13 mol 58 unq 0 iso 1 dist 8.26899 7.08557 9.33535 6.20618 7.60018 7.00806 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 9.33535 7.08557 8.26899 9.53718 7.03126 5.61579 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 8.26899 7.08557 9.33535 5.61579 7.03126 9.53718 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 8.624 5.36766 6.77912 5.72408 9.37102 10.0679 numMergedOcc 0
17 mol 72 unq 0 iso 1 dist 6.77912 5.36766 8.624 10.0679 9.37102 5.72408 numMergedOcc 0
18 mol 72 unq 1 iso 0 dist 8.624 5.36766 6.77912 3.94376 5.4605 5.69391 numMergedOcc 0
19 mol 72 unq 1 iso 1 dist 6.77912 5.36766 8.624 5.69391 5.4605 3.94376 numMergedOcc 0
20 mol 72 unq 2 iso 0 dist 8.624 5.36766 6.77912 6.19288 6.53824 4.03844 numMergedOcc 0
21 mol 72 unq 2 iso 1 dist 6.77912 5.36766 8.624 4.03844 6.53824 6.19288 numMergedOcc 0
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23 mol 76 unq 0 iso 1 dist 8.19682 10.2879 6.21982 15.4159 9.4866 5.31985 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 5.87358 4.98336 9.20981 6.35679 8.38791 4.94189 numMergedOcc 0
25 mol 109 unq 0 iso 1 dist 9.20981 4.98336 5.87358 4.94189 8.38791 6.35679 numMergedOcc 0
26 mol 117 unq 0 iso 0 dist 6.62561 7.22206 7.63616 7.20875 9.94053 3.77029 numMergedOcc 0
27 mol 117 unq 0 iso 1 dist 7.63616 7.22206 6.62561 3.77029 9.94053 7.20875 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 7.39889 11.6667 9.63176 6.30721 6.55202 6.9194 numMergedOcc 0
29 mol 119 unq 0 iso 1 dist 9.63176 11.6667 7.39889 6.9194 6.55202 6.30721 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 7.39889 11.6667 9.63176 14.443 9.08536 9.68677 numMergedOcc 0
31 mol 119 unq 1 iso 1 dist 9.63176 11.6667 7.39889 9.68677 9.08536 14.443 numMergedOcc 0
32 mol 119 unq 2 iso 0 dist 7.39889 11.3169 7.44174 6.30721 6.55202 12.4621 numMergedOcc 0
33 mol 119 unq 2 iso 1 dist 7.44174 11.3169 7.39889 12.4621 6.55202 6.30721 numMergedOcc 0
34 mol 119 unq 3 iso 0 dist 7.39889 11.3169 7.44174 14.443 9.08536 6.20019 numMergedOcc 0
35 mol 119 unq 3 iso 1 dist 7.44174 11.3169 7.39889 6.20019 9.08536 14.443 numMergedOcc 0
36 mol 119 unq 2 iso 0 dist 9.63176 12.4603 7.44174 6.9194 6.55202 12.4621 numMergedOcc 0
37 mol 119 unq 2 iso 1 dist 7.44174 12.4603 9.63176 12.4621 6.55202 6.9194 numMergedOcc 0
38 mol 119 unq 3 iso 0 dist 9.63176 12.4603 7.44174 9.68677 9.08536 6.20019 numMergedOcc 0
39 mol 119 unq 3 iso 1 dist 7.44174 12.4603 9.63176 6.20019 9.08536 9.68677 numMergedOcc 0
40 mol 119 unq 4 iso 0 dist 6.19042 9.22558 8.43904 6.20019 6.13374 4.39676 numMergedOcc 0
41 mol 119 unq 4 iso 1 dist 8.43904 9.22558 6.19042 4.39676 6.13374 6.20019 numMergedOcc 0
42 mol 126 unq 0 iso 0 dist 7.75534 7.12167 9.06011 5.42561 8.7789 7.47528 numMergedOcc 0
43 mol 126 unq 0 iso 1 dist 9.06011 7.12167 7.75534 7.47528 8.7789 5.42561 numMergedOcc 0
44 mol 126 unq 1 iso 0 dist 7.75534 7.12167 9.06011 10.7549 9.93613 11.9496 numMergedOcc 0
45 mol 126 unq 1 iso 1 dist 9.06011 7.12167 7.75534 11.9496 9.93613 10.7549 numMergedOcc 0
46 mol 130 unq 0 iso 0 dist 6.79146 7.01619 7.66168 4.66904 8.9677 11.1455 numMergedOcc 0
47 mol 130 unq 0 iso 1 dist 7.66168 7.01619 6.79146 11.1455 8.9677 4.66904 numMergedOcc 0
48 mol 130 unq 1 iso 0 dist 6.79146 6.83397 6.89257 4.66904 8.9677 7.52422 numMergedOcc 0
49 mol 130 unq 1 iso 1 dist 6.89257 6.83397 6.79146 7.52422 8.9677 4.66904 numMergedOcc 0
50 mol 130 unq 1 iso 0 dist 7.66168 7.50049 6.89257 11.1455 8.9677 7.52422 numMergedOcc 0
51 mol 130 unq 1 iso 1 dist 6.89257 7.50049 7.66168 7.52422 8.9677 11.1455 numMergedOcc 0
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53 mol 134 unq 0 iso 1 dist 7.77454 7.93571 8.94837 5.91192 5.52149 11.5407 numMergedOcc 0
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55 mol 143 unq 0 iso 1 dist 7.7056 5.72828 7.31468 11.903 7.05845 7.63293 numMergedOcc 0
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57 mol 155 unq 0 iso 1 dist 7.36102 10.7616 7.39644 4.91785 5.36254 7.10286 numMergedOcc 0
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59 mol 173 unq 0 iso 1 dist 6.98095 4.83994 7.93331 12.5815 8.62366 12.4131 numMergedOcc 0
60 mol 173 unq 1 iso 0 dist 7.93331 4.83994 6.98095 8.85462 9.44973 9.65654 numMergedOcc 0
61 mol 173 unq 1 iso 1 dist 6.98095 4.83994 7.93331 9.65654 9.44973 8.85462 numMergedOcc 0
62 mol 173 unq 2 iso 0 dist 7.93331 4.83994 6.98095 6.91529 6.52508 9.44845 numMergedOcc 0
63 mol 173 unq 2 iso 1 dist 6.98095 4.83994 7.93331 9.44845 6.52508 6.91529 numMergedOcc 0
64 mol 173 unq 3 iso 0 dist 7.93331 5.16343 8.31897 12.4131 8.62366 8.63452 numMergedOcc 0
65 mol 173 unq 3 iso 1 dist 8.31897 5.16343 7.93331 8.63452 8.62366 12.4131 numMergedOcc 0
66 mol 173 unq 4 iso 0 dist 7.93331 5.16343 8.31897 8.85462 9.44973 4.83786 numMergedOcc 0
67 mol 173 unq 4 iso 1 dist 8.31897 5.16343 7.93331 4.83786 9.44973 8.85462 numMergedOcc 0
68 mol 173 unq 5 iso 0 dist 7.93331 5.16343 8.31897 6.91529 6.52508 3.74688 numMergedOcc 0
69 mol 173 unq 5 iso 1 dist 8.31897 5.16343 7.93331 3.74688 6.52508 6.91529 numMergedOcc 0
70 mol 173 unq 3 iso 0 dist 6.98095 8.17887 8.31897 12.5815 8.62366 8.63452 numMergedOcc 0
71 mol 173 unq 3 iso 1 dist 8.31897 8.17887 6.98095 8.63452 8.62366 12.5815 numMergedOcc 0
72 mol 173 unq 4 iso 0 dist 6.98095 8.17887 8.31897 9.65654 9.44973 4.83786 numMergedOcc 0
73 mol 173 unq 4 iso 1 dist 8.31897 8.17887 6.98095 4.83786 9.44973 9.65654 numMergedOcc 0
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75 mol 173 unq 5 iso 1 dist 8.31897 8.17887 6.98095 3.74688 6.52508 9.44845 numMergedOcc 0
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89 mol 228 unq 1 iso 1 dist 7.65132 11.1899 8.06181 6.30327 7.84881 9.3302 numMergedOcc 0
90 mol 228 unq 2 iso 0 dist 8.06181 5.93014 8.53764 9.3302 7.84881 11.9013 numMergedOcc 0
91 mol 228 unq 2 iso 1 dist 8.53764 5.93014 8.06181 11.9013 7.84881 9.3302 numMergedOcc 0
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99 mol 228 unq 3 iso 1 dist 8.20909 5.42695 7.77367 6.65033 7.86746 9.39743 numMergedOcc 0
100 mol 228 unq 4 iso 0 dist 7.77367 11.3702 7.94506 9.39743 7.86746 6.19376 numMergedOcc 0
101 mol 228 unq 4 iso 1 dist 7.94506 11.3702 7.77367 6.19376 7.86746 9.39743 numMergedOcc 0
102 mol 228 unq 5 iso 0 dist 7.77367 6.001 8.15494 9.39743 7.86746 11.8243 numMergedOcc 0
103 mol 228 unq 5 iso 1 dist 8.15494 6.001 7.77367 11.8243 7.86746 9.39743 numMergedOcc 0
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105 mol 228 unq 4 iso 1 dist 7.94506 7.22215 8.20909 6.19376 7.86746 6.65033 numMergedOcc 0
106 mol 228 unq 5 iso 0 dist 8.20909 6.44695 8.15494 6.65033 7.86746 11.8243 numMergedOcc 0
107 mol 228 unq 5 iso 1 dist 8.15494 6.44695 8.20909 11.8243 7.86746 6.65033 numMergedOcc 0
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109 mol 228 unq 5 iso 1 dist 8.15494 10.3635 7.94506 11.8243 7.86746 6.19376 numMergedOcc 0
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117 mol 235 unq 2 iso 1 dist 6.98084 16.4493 9.58736 8.26028 7.02029 13.7306 numMergedOcc 0
118 mol 235 unq 3 iso 0 dist 9.58736 15.4 7.32211 13.7306 7.02029 10.7187 numMergedOcc 0
119 mol 235 unq 3 iso 1 dist 7.32211 15.4 9.58736 10.7187 7.02029 13.7306 numMergedOcc 0
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121 mol 235 unq 1 iso 1 dist 8.75735 5.52217 9.43058 4.12497 7.02029 7.31605 numMergedOcc 0
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123 mol 235 unq 2 iso 1 dist 6.98084 14.4362 9.43058 8.26028 7.02029 7.31605 numMergedOcc 0
124 mol 235 unq 3 iso 0 dist 9.43058 14.4107 7.32211 7.31605 7.02029 10.7187 numMergedOcc 0
125 mol 235 unq 3 iso 1 dist 7.32211 14.4107 9.43058 10.7187 7.02029 7.31605 numMergedOcc 0
126 mol 235 unq 2 iso 0 dist 8.75735 11.3519 6.98084 4.12497 7.02029 8.26028 numMergedOcc 0
127 mol 235 unq 2 iso 1 dist 6.98084 11.3519 8.75735 8.26028 7.02029 4.12497 numMergedOcc 0
128 mol 235 unq 3 iso 0 dist 8.75735 11.3789 7.32211 4.12497 7.02029 10.7187 numMergedOcc 0
129 mol 235 unq 3 iso 1 dist 7.32211 11.3789 8.75735 10.7187 7.02029 4.12497 numMergedOcc 0
130 mol 235 unq 3 iso 0 dist 6.98084 7.218 7.32211 8.26028 7.02029 10.7187 numMergedOcc 0
131 mol 235 unq 3 iso 1 dist 7.32211 7.218 6.98084 10.7187 7.02029 8.26028 numMergedOcc 0
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133 mol 238 unq 0 iso 1 dist 6.55759 5.42006 5.38637 10.4966 9.38131 13.378 numMergedOcc 0
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135 mol 238 unq 1 iso 1 dist 7.02475 12.9854 8.96531 10.4966 6.85253 5.79187 numMergedOcc 0
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137 mol 238 unq 2 iso 1 dist 8.09066 5.6348 6.05141 6.13368 8.69525 5.27215 numMergedOcc 0
138 mol 238 unq 3 iso 0 dist 6.05141 8.87326 7.2766 5.27215 8.69525 10.0605 numMergedOcc 0
139 mol 238 unq 3 iso 1 dist 7.2766 8.87326 6.05141 10.0605 8.69525 5.27215 numMergedOcc 0
140 mol 238 unq 3 iso 0 dist 8.09066 5.31152 7.2766 6.13368 8.69525 10.0605 numMergedOcc 0
141 mol 238 unq 3 iso 1 dist 7.2766 5.31152 8.09066 10.0605 8.69525 6.13368 numMergedOcc 0
142 mol 238 unq 4 iso 0 dist 7.49471 5.34096 7.19008 12.7938 5.43613 11.0772 numMergedOcc 0
143 mol 238 unq 4 iso 1 dist 7.19008 5.34096 7.49471 11.0772 5.43613 12.7938 numMergedOcc 0
144 mol 238 unq 5 iso 0 dist 7.49471 5.34096 7.19008 6.82305 7.24334 5.71717 numMergedOcc 0
145 mol 238 unq 5 iso 1 dist 7.19008 5.34096 7.49471 5.71717 7.24334 6.82305 numMergedOcc 0
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147 mol 259 unq 0 iso 1 dist 8.37865 12.5353 7.48005 4.04513 8.84648 10.282 numMergedOcc 0
148 mol 259 unq 1 iso 0 dist 7.48005 12.5353 8.37865 10.067 6.23661 7.09907 numMergedOcc 0
149 mol 259 unq 1 iso 1 dist 8.37865 12.5353 7.48005 7.09907 6.23661 10.067 numMergedOcc 0
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151 mol 282 unq 0 iso 1 dist 7.32347 5.39891 6.85028 5.29852 7.52924 4.57104 numMergedOcc 0
152 mol 282 unq 1 iso 0 dist 6.85028 7.76539 8.3411 4.57104 7.52924 5.80572 numMergedOcc 0
153 mol 282 unq 1 iso 1 dist 8.3411 7.76539 6.85028 5.80572 7.52924 4.57104 numMergedOcc 0
154 mol 282 unq 1 iso 0 dist 7.32347 10.5372 8.3411 5.29852 7.52924 5.80572 numMergedOcc 0
155 mol 282 unq 1 iso 1 dist 8.3411 10.5372 7.32347 5.80572 7.52924 5.29852 numMergedOcc 0
