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1 mol 26 unq 0 iso 1 dist 5.69955 4.94205 7.40948 8.25132 6.73167 10.1642 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.6385 7.73394 6.73167 7.42064 7.40948 10.1642 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 8.6385 7.42064 7.40948 7.73394 6.73167 10.1642 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.61823 5.31547 6.98037 4.3481 6.9223 6.02822 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 6.61823 4.3481 6.9223 5.31547 6.98037 6.02822 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 9.81831 16.1023 7.8435 13.1721 5.99269 5.21654 numMergedOcc 0
7 mol 93 unq 0 iso 1 dist 9.81831 13.1721 5.99269 16.1023 7.8435 5.21654 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 9.81831 16.1023 7.8435 9.34182 5.71763 13.3531 numMergedOcc 0
9 mol 93 unq 1 iso 1 dist 9.81831 9.34182 5.71763 16.1023 7.8435 13.3531 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 9.81831 13.1721 5.99269 9.34182 5.71763 10.7398 numMergedOcc 0
11 mol 93 unq 1 iso 1 dist 9.81831 9.34182 5.71763 13.1721 5.99269 10.7398 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 9.12858 12.4934 7.8435 11.0537 5.99269 5.21654 numMergedOcc 0
13 mol 93 unq 2 iso 1 dist 9.12858 11.0537 5.99269 12.4934 7.8435 5.21654 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 9.12858 12.4934 7.8435 12.0103 5.71763 13.3531 numMergedOcc 0
15 mol 93 unq 3 iso 1 dist 9.12858 12.0103 5.71763 12.4934 7.8435 13.3531 numMergedOcc 0
16 mol 93 unq 3 iso 0 dist 9.12858 11.0537 5.99269 12.0103 5.71763 10.7398 numMergedOcc 0
17 mol 93 unq 3 iso 1 dist 9.12858 12.0103 5.71763 11.0537 5.99269 10.7398 numMergedOcc 0
18 mol 93 unq 4 iso 0 dist 9.4523 10.8106 7.8435 7.14217 5.99269 5.21654 numMergedOcc 0
19 mol 93 unq 4 iso 1 dist 9.4523 7.14217 5.99269 10.8106 7.8435 5.21654 numMergedOcc 0
20 mol 93 unq 5 iso 0 dist 9.4523 10.8106 7.8435 12.9351 5.71763 13.3531 numMergedOcc 0
21 mol 93 unq 5 iso 1 dist 9.4523 12.9351 5.71763 10.8106 7.8435 13.3531 numMergedOcc 0
22 mol 93 unq 5 iso 0 dist 9.4523 7.14217 5.99269 12.9351 5.71763 10.7398 numMergedOcc 0
23 mol 93 unq 5 iso 1 dist 9.4523 12.9351 5.71763 7.14217 5.99269 10.7398 numMergedOcc 0
24 mol 112 unq 0 iso 0 dist 6.43433 10.5563 5.43933 6.95317 4.99604 6.86881 numMergedOcc 0
25 mol 112 unq 0 iso 1 dist 6.43433 6.95317 4.99604 10.5563 5.43933 6.86881 numMergedOcc 0
26 mol 112 unq 1 iso 0 dist 6.43433 10.5563 5.43933 13.5094 9.97483 5.20124 numMergedOcc 0
27 mol 112 unq 1 iso 1 dist 6.43433 13.5094 9.97483 10.5563 5.43933 5.20124 numMergedOcc 0
28 mol 112 unq 2 iso 0 dist 6.43433 10.5563 5.43933 6.75738 7.44041 9.41803 numMergedOcc 0
29 mol 112 unq 2 iso 1 dist 6.43433 6.75738 7.44041 10.5563 5.43933 9.41803 numMergedOcc 0
30 mol 112 unq 1 iso 0 dist 6.43433 6.95317 4.99604 13.5094 9.97483 10.8861 numMergedOcc 0
31 mol 112 unq 1 iso 1 dist 6.43433 13.5094 9.97483 6.95317 4.99604 10.8861 numMergedOcc 0
32 mol 112 unq 2 iso 0 dist 6.43433 6.95317 4.99604 6.75738 7.44041 10.5905 numMergedOcc 0
33 mol 112 unq 2 iso 1 dist 6.43433 6.75738 7.44041 6.95317 4.99604 10.5905 numMergedOcc 0
34 mol 112 unq 2 iso 0 dist 6.43433 13.5094 9.97483 6.75738 7.44041 10.596 numMergedOcc 0
35 mol 112 unq 2 iso 1 dist 6.43433 6.75738 7.44041 13.5094 9.97483 10.596 numMergedOcc 0
36 mol 112 unq 3 iso 0 dist 9.92283 12.6108 5.43933 10.9279 4.99604 6.86881 numMergedOcc 0
37 mol 112 unq 3 iso 1 dist 9.92283 10.9279 4.99604 12.6108 5.43933 6.86881 numMergedOcc 0
38 mol 112 unq 4 iso 0 dist 9.92283 12.6108 5.43933 13.764 9.97483 5.20124 numMergedOcc 0
39 mol 112 unq 4 iso 1 dist 9.92283 13.764 9.97483 12.6108 5.43933 5.20124 numMergedOcc 0
40 mol 112 unq 5 iso 0 dist 9.92283 12.6108 5.43933 5.43385 7.44041 9.41803 numMergedOcc 0
41 mol 112 unq 5 iso 1 dist 9.92283 5.43385 7.44041 12.6108 5.43933 9.41803 numMergedOcc 0
42 mol 112 unq 4 iso 0 dist 9.92283 10.9279 4.99604 13.764 9.97483 10.8861 numMergedOcc 0
43 mol 112 unq 4 iso 1 dist 9.92283 13.764 9.97483 10.9279 4.99604 10.8861 numMergedOcc 0
44 mol 112 unq 5 iso 0 dist 9.92283 10.9279 4.99604 5.43385 7.44041 10.5905 numMergedOcc 0
45 mol 112 unq 5 iso 1 dist 9.92283 5.43385 7.44041 10.9279 4.99604 10.5905 numMergedOcc 0
46 mol 112 unq 5 iso 0 dist 9.92283 13.764 9.97483 5.43385 7.44041 10.596 numMergedOcc 0
47 mol 112 unq 5 iso 1 dist 9.92283 5.43385 7.44041 13.764 9.97483 10.596 numMergedOcc 0
48 mol 119 unq 0 iso 0 dist 7.77116 6.9194 9.6121 9.68677 9.57341 12.7135 numMergedOcc 0
49 mol 119 unq 0 iso 1 dist 7.77116 9.68677 9.57341 6.9194 9.6121 12.7135 numMergedOcc 0
50 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 10.092 6.99345 6.05407 numMergedOcc 0
51 mol 134 unq 0 iso 1 dist 7.36779 10.092 6.99345 14.2036 8.48313 6.05407 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 7.36779 14.2036 8.48313 4.46337 5.11043 10.5379 numMergedOcc 0
53 mol 134 unq 1 iso 1 dist 7.36779 4.46337 5.11043 14.2036 8.48313 10.5379 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 7.36779 10.092 6.99345 4.46337 5.11043 5.83782 numMergedOcc 0
55 mol 134 unq 1 iso 1 dist 7.36779 4.46337 5.11043 10.092 6.99345 5.83782 numMergedOcc 0
56 mol 134 unq 2 iso 0 dist 8.20836 16.4114 8.48313 12.8086 6.99345 6.05407 numMergedOcc 0
57 mol 134 unq 2 iso 1 dist 8.20836 12.8086 6.99345 16.4114 8.48313 6.05407 numMergedOcc 0
58 mol 134 unq 3 iso 0 dist 8.20836 16.4114 8.48313 7.41373 5.11043 10.5379 numMergedOcc 0
59 mol 134 unq 3 iso 1 dist 8.20836 7.41373 5.11043 16.4114 8.48313 10.5379 numMergedOcc 0
60 mol 134 unq 3 iso 0 dist 8.20836 12.8086 6.99345 7.41373 5.11043 5.83782 numMergedOcc 0
61 mol 134 unq 3 iso 1 dist 8.20836 7.41373 5.11043 12.8086 6.99345 5.83782 numMergedOcc 0
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63 mol 140 unq 0 iso 1 dist 5.39064 4.75859 6.66504 4.91618 7.19291 6.09915 numMergedOcc 0
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65 mol 186 unq 0 iso 1 dist 9.83476 15.0914 6.07389 13.6744 7.04815 6.05141 numMergedOcc 0
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67 mol 194 unq 0 iso 1 dist 6.26839 11.8031 6.72182 10.0756 5.53324 9.10229 numMergedOcc 0
68 mol 194 unq 1 iso 0 dist 8.12346 10.2793 5.53324 9.09233 6.72182 9.10229 numMergedOcc 0
69 mol 194 unq 1 iso 1 dist 8.12346 9.09233 6.72182 10.2793 5.53324 9.10229 numMergedOcc 0
70 mol 194 unq 2 iso 0 dist 8.83356 10.463 5.53324 4.66791 6.72182 9.10229 numMergedOcc 0
71 mol 194 unq 2 iso 1 dist 8.83356 4.66791 6.72182 10.463 5.53324 9.10229 numMergedOcc 0
72 mol 194 unq 3 iso 0 dist 8.2654 12.8494 5.53324 7.73551 6.72182 9.10229 numMergedOcc 0
73 mol 194 unq 3 iso 1 dist 8.2654 7.73551 6.72182 12.8494 5.53324 9.10229 numMergedOcc 0
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75 mol 195 unq 0 iso 1 dist 6.60567 11.9954 7.87972 5.41635 6.34234 10.558 numMergedOcc 0
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77 mol 195 unq 1 iso 1 dist 7.62942 8.04534 7.87972 6.04871 6.34234 10.558 numMergedOcc 0
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79 mol 198 unq 0 iso 1 dist 9.18635 10.1469 8.12201 5.33039 8.8864 5.85034 numMergedOcc 0
80 mol 198 unq 1 iso 0 dist 9.18635 5.33039 8.8864 5.76471 5.45162 5.38093 numMergedOcc 0
81 mol 198 unq 1 iso 1 dist 9.18635 5.76471 5.45162 5.33039 8.8864 5.38093 numMergedOcc 0
82 mol 198 unq 1 iso 0 dist 9.18635 10.1469 8.12201 5.76471 5.45162 6.06126 numMergedOcc 0
83 mol 198 unq 1 iso 1 dist 9.18635 5.76471 5.45162 10.1469 8.12201 6.06126 numMergedOcc 0
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85 mol 198 unq 2 iso 1 dist 8.10985 6.0599 8.12201 9.76488 8.8864 5.85034 numMergedOcc 0
86 mol 198 unq 3 iso 0 dist 8.10985 9.76488 8.8864 6.05382 5.45162 5.38093 numMergedOcc 0
87 mol 198 unq 3 iso 1 dist 8.10985 6.05382 5.45162 9.76488 8.8864 5.38093 numMergedOcc 0
88 mol 198 unq 3 iso 0 dist 8.10985 6.0599 8.12201 6.05382 5.45162 6.06126 numMergedOcc 0
89 mol 198 unq 3 iso 1 dist 8.10985 6.05382 5.45162 6.0599 8.12201 6.06126 numMergedOcc 0
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91 mol 222 unq 0 iso 1 dist 9.2581 6.25425 6.81955 9.01393 7.97027 11.4035 numMergedOcc 0
92 mol 222 unq 1 iso 0 dist 9.2581 9.01393 7.97027 5.64455 4.9876 8.10209 numMergedOcc 0
93 mol 222 unq 1 iso 1 dist 9.2581 5.64455 4.9876 9.01393 7.97027 8.10209 numMergedOcc 0
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95 mol 222 unq 1 iso 1 dist 9.2581 5.64455 4.9876 6.25425 6.81955 3.52491 numMergedOcc 0
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97 mol 222 unq 2 iso 1 dist 9.62632 5.16212 6.81955 13.3586 7.97027 11.4035 numMergedOcc 0
98 mol 222 unq 3 iso 0 dist 9.62632 13.3586 7.97027 5.9478 4.9876 8.10209 numMergedOcc 0
99 mol 222 unq 3 iso 1 dist 9.62632 5.9478 4.9876 13.3586 7.97027 8.10209 numMergedOcc 0
100 mol 222 unq 3 iso 0 dist 9.62632 5.16212 6.81955 5.9478 4.9876 3.52491 numMergedOcc 0
101 mol 222 unq 3 iso 1 dist 9.62632 5.9478 4.9876 5.16212 6.81955 3.52491 numMergedOcc 0
102 mol 222 unq 4 iso 0 dist 7.862 8.84507 7.97027 8.67203 6.81955 11.4035 numMergedOcc 0
103 mol 222 unq 4 iso 1 dist 7.862 8.67203 6.81955 8.84507 7.97027 11.4035 numMergedOcc 0
104 mol 222 unq 5 iso 0 dist 7.862 8.84507 7.97027 6.02502 4.9876 8.10209 numMergedOcc 0
105 mol 222 unq 5 iso 1 dist 7.862 6.02502 4.9876 8.84507 7.97027 8.10209 numMergedOcc 0
106 mol 222 unq 5 iso 0 dist 7.862 8.67203 6.81955 6.02502 4.9876 3.52491 numMergedOcc 0
107 mol 222 unq 5 iso 1 dist 7.862 6.02502 4.9876 8.67203 6.81955 3.52491 numMergedOcc 0
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109 mol 225 unq 0 iso 1 dist 8.87609 13.3773 8.42121 17.3148 9.87668 8.05944 numMergedOcc 0
110 mol 225 unq 1 iso 0 dist 8.87609 17.3148 9.87668 3.97158 7.8744 16.7885 numMergedOcc 0
111 mol 225 unq 1 iso 1 dist 8.87609 3.97158 7.8744 17.3148 9.87668 16.7885 numMergedOcc 0
112 mol 225 unq 2 iso 0 dist 8.87609 17.3148 9.87668 9.9875 4.98402 13.7858 numMergedOcc 0
113 mol 225 unq 2 iso 1 dist 8.87609 9.9875 4.98402 17.3148 9.87668 13.7858 numMergedOcc 0
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115 mol 225 unq 1 iso 1 dist 8.87609 3.97158 7.8744 13.3773 8.42121 14.5755 numMergedOcc 0
116 mol 225 unq 2 iso 0 dist 8.87609 13.3773 8.42121 9.9875 4.98402 11.2712 numMergedOcc 0
117 mol 225 unq 2 iso 1 dist 8.87609 9.9875 4.98402 13.3773 8.42121 11.2712 numMergedOcc 0
118 mol 225 unq 2 iso 0 dist 8.87609 3.97158 7.8744 9.9875 4.98402 8.90802 numMergedOcc 0
119 mol 225 unq 2 iso 1 dist 8.87609 9.9875 4.98402 3.97158 7.8744 8.90802 numMergedOcc 0
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121 mol 229 unq 0 iso 1 dist 8.92743 11.9989 7.63917 11.0437 6.42694 6.12355 numMergedOcc 0
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123 mol 229 unq 1 iso 1 dist 8.08082 7.4175 7.63917 5.66641 6.42694 6.12355 numMergedOcc 0
124 mol 229 unq 2 iso 0 dist 5.77318 7.46815 6.42694 5.37687 7.63917 6.12355 numMergedOcc 0
125 mol 229 unq 2 iso 1 dist 5.77318 5.37687 7.63917 7.46815 6.42694 6.12355 numMergedOcc 0
126 mol 229 unq 3 iso 0 dist 8.19603 6.62766 6.42694 6.03803 7.63917 6.12355 numMergedOcc 0
127 mol 229 unq 3 iso 1 dist 8.19603 6.03803 7.63917 6.62766 6.42694 6.12355 numMergedOcc 0
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129 mol 252 unq 0 iso 1 dist 8.47784 10.2463 6.45396 6.62402 8.19529 5.1765 numMergedOcc 0
130 mol 252 unq 1 iso 0 dist 8.66469 8.71281 8.19529 4.54582 6.45396 5.1765 numMergedOcc 0
131 mol 252 unq 1 iso 1 dist 8.66469 4.54582 6.45396 8.71281 8.19529 5.1765 numMergedOcc 0
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133 mol 264 unq 0 iso 1 dist 7.52281 6.87635 8.67231 5.71153 6.02757 5.23295 numMergedOcc 0
134 mol 264 unq 1 iso 0 dist 6.42588 6.56539 6.02757 4.76241 8.67231 5.23295 numMergedOcc 0
135 mol 264 unq 1 iso 1 dist 6.42588 4.76241 8.67231 6.56539 6.02757 5.23295 numMergedOcc 0
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137 mol 278 unq 0 iso 1 dist 7.67245 10.0918 7.59696 13.5923 8.63072 5.75667 numMergedOcc 0
138 mol 278 unq 1 iso 0 dist 9.12395 10.9571 8.63072 6.48173 7.59696 5.75667 numMergedOcc 0
139 mol 278 unq 1 iso 1 dist 9.12395 6.48173 7.59696 10.9571 8.63072 5.75667 numMergedOcc 0
140 mol 279 unq 0 iso 0 dist 8.29305 6.5644 5.8304 8.70069 7.37478 11.3734 numMergedOcc 0
141 mol 279 unq 0 iso 1 dist 8.29305 8.70069 7.37478 6.5644 5.8304 11.3734 numMergedOcc 0
142 mol 279 unq 1 iso 0 dist 6.43341 9.40912 5.8304 4.14939 7.37478 11.3734 numMergedOcc 0
143 mol 279 unq 1 iso 1 dist 6.43341 4.14939 7.37478 9.40912 5.8304 11.3734 numMergedOcc 0
