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1 mol 1 unq 0 iso 1 dist 6.09918 5.92202 8.26708 4.50502 7.27254 6.27888 numMergedOcc 0
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3 mol 7 unq 0 iso 1 dist 7.88043 12.2041 5.72491 12.8323 8.15894 7.12508 numMergedOcc 0
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5 mol 26 unq 0 iso 1 dist 8.6385 9.78225 5.69955 7.73394 6.73167 8.25132 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 5.69955 9.78225 8.6385 4.94205 7.40948 7.42064 numMergedOcc 0
7 mol 26 unq 1 iso 1 dist 8.6385 9.78225 5.69955 7.42064 7.40948 4.94205 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.93832 8.13395 8.60739 10.8828 7.24352 5.07458 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 8.60739 8.13395 9.93832 5.07458 7.24352 10.8828 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 16.1023 7.8435 12.4934 numMergedOcc 0
11 mol 93 unq 0 iso 1 dist 9.12858 6.30447 9.81831 12.4934 7.8435 16.1023 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 9.81831 6.30447 9.12858 13.1721 5.99269 11.0537 numMergedOcc 0
13 mol 93 unq 1 iso 1 dist 9.12858 6.30447 9.81831 11.0537 5.99269 13.1721 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 9.81831 6.30447 9.12858 9.34182 5.71763 12.0103 numMergedOcc 0
15 mol 93 unq 2 iso 1 dist 9.12858 6.30447 9.81831 12.0103 5.71763 9.34182 numMergedOcc 0
16 mol 93 unq 3 iso 0 dist 9.81831 9.91939 9.4523 16.1023 7.8435 10.8106 numMergedOcc 0
17 mol 93 unq 3 iso 1 dist 9.4523 9.91939 9.81831 10.8106 7.8435 16.1023 numMergedOcc 0
18 mol 93 unq 4 iso 0 dist 9.81831 9.91939 9.4523 13.1721 5.99269 7.14217 numMergedOcc 0
19 mol 93 unq 4 iso 1 dist 9.4523 9.91939 9.81831 7.14217 5.99269 13.1721 numMergedOcc 0
20 mol 93 unq 5 iso 0 dist 9.81831 9.91939 9.4523 9.34182 5.71763 12.9351 numMergedOcc 0
21 mol 93 unq 5 iso 1 dist 9.4523 9.91939 9.81831 12.9351 5.71763 9.34182 numMergedOcc 0
22 mol 93 unq 3 iso 0 dist 9.12858 7.66728 9.4523 12.4934 7.8435 10.8106 numMergedOcc 0
23 mol 93 unq 3 iso 1 dist 9.4523 7.66728 9.12858 10.8106 7.8435 12.4934 numMergedOcc 0
24 mol 93 unq 4 iso 0 dist 9.12858 7.66728 9.4523 11.0537 5.99269 7.14217 numMergedOcc 0
25 mol 93 unq 4 iso 1 dist 9.4523 7.66728 9.12858 7.14217 5.99269 11.0537 numMergedOcc 0
26 mol 93 unq 5 iso 0 dist 9.12858 7.66728 9.4523 12.0103 5.71763 12.9351 numMergedOcc 0
27 mol 93 unq 5 iso 1 dist 9.4523 7.66728 9.12858 12.9351 5.71763 12.0103 numMergedOcc 0
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29 mol 112 unq 0 iso 1 dist 9.92283 5.0812 6.43433 12.6108 5.43933 10.5563 numMergedOcc 0
30 mol 112 unq 1 iso 0 dist 6.43433 5.0812 9.92283 6.95317 4.99604 10.9279 numMergedOcc 0
31 mol 112 unq 1 iso 1 dist 9.92283 5.0812 6.43433 10.9279 4.99604 6.95317 numMergedOcc 0
32 mol 112 unq 2 iso 0 dist 6.43433 5.0812 9.92283 13.5094 9.97483 13.764 numMergedOcc 0
33 mol 112 unq 2 iso 1 dist 9.92283 5.0812 6.43433 13.764 9.97483 13.5094 numMergedOcc 0
34 mol 112 unq 3 iso 0 dist 6.43433 5.0812 9.92283 6.75738 7.44041 5.43385 numMergedOcc 0
35 mol 112 unq 3 iso 1 dist 9.92283 5.0812 6.43433 5.43385 7.44041 6.75738 numMergedOcc 0
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37 mol 131 unq 0 iso 1 dist 6.92648 7.58238 9.15431 8.57203 6.78801 4.57579 numMergedOcc 0
38 mol 131 unq 1 iso 0 dist 9.15431 13.2572 9.29384 4.57579 6.78801 12.6005 numMergedOcc 0
39 mol 131 unq 1 iso 1 dist 9.29384 13.2572 9.15431 12.6005 6.78801 4.57579 numMergedOcc 0
40 mol 131 unq 1 iso 0 dist 6.92648 6.63273 9.29384 8.57203 6.78801 12.6005 numMergedOcc 0
41 mol 131 unq 1 iso 1 dist 9.29384 6.63273 6.92648 12.6005 6.78801 8.57203 numMergedOcc 0
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43 mol 134 unq 0 iso 1 dist 8.20836 5.62899 7.36779 16.4114 8.48313 14.2036 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 7.36779 5.62899 8.20836 10.092 6.99345 12.8086 numMergedOcc 0
45 mol 134 unq 1 iso 1 dist 8.20836 5.62899 7.36779 12.8086 6.99345 10.092 numMergedOcc 0
46 mol 134 unq 2 iso 0 dist 7.36779 5.62899 8.20836 4.46337 5.11043 7.41373 numMergedOcc 0
47 mol 134 unq 2 iso 1 dist 8.20836 5.62899 7.36779 7.41373 5.11043 4.46337 numMergedOcc 0
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49 mol 141 unq 0 iso 1 dist 7.86572 6.21253 6.69515 13.4066 6.77921 13.2918 numMergedOcc 0
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51 mol 147 unq 0 iso 1 dist 6.28351 7.15222 5.49226 5.59468 9.43989 12.068 numMergedOcc 0
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53 mol 152 unq 0 iso 1 dist 8.28642 7.65448 9.77552 9.84297 6.92726 12.4535 numMergedOcc 0
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55 mol 171 unq 0 iso 1 dist 5.10618 7.31409 7.71426 13.9189 9.13027 11.8244 numMergedOcc 0
56 mol 171 unq 1 iso 0 dist 7.71426 13.6814 9.86681 11.8244 9.13027 8.25926 numMergedOcc 0
57 mol 171 unq 1 iso 1 dist 9.86681 13.6814 7.71426 8.25926 9.13027 11.8244 numMergedOcc 0
58 mol 171 unq 1 iso 0 dist 5.10618 13.7214 9.86681 13.9189 9.13027 8.25926 numMergedOcc 0
59 mol 171 unq 1 iso 1 dist 9.86681 13.7214 5.10618 8.25926 9.13027 13.9189 numMergedOcc 0
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61 mol 186 unq 0 iso 1 dist 7.24795 9.41955 9.56197 3.90244 8.57801 6.89047 numMergedOcc 0
62 mol 186 unq 1 iso 0 dist 9.56197 8.04815 8.64409 6.89047 8.57801 12.6058 numMergedOcc 0
63 mol 186 unq 1 iso 1 dist 8.64409 8.04815 9.56197 12.6058 8.57801 6.89047 numMergedOcc 0
64 mol 186 unq 2 iso 0 dist 9.56197 5.92513 7.60202 6.89047 8.57801 7.21555 numMergedOcc 0
65 mol 186 unq 2 iso 1 dist 7.60202 5.92513 9.56197 7.21555 8.57801 6.89047 numMergedOcc 0
66 mol 186 unq 1 iso 0 dist 7.24795 13.684 8.64409 3.90244 8.57801 12.6058 numMergedOcc 0
67 mol 186 unq 1 iso 1 dist 8.64409 13.684 7.24795 12.6058 8.57801 3.90244 numMergedOcc 0
68 mol 186 unq 2 iso 0 dist 7.24795 9.45987 7.60202 3.90244 8.57801 7.21555 numMergedOcc 0
69 mol 186 unq 2 iso 1 dist 7.60202 9.45987 7.24795 7.21555 8.57801 3.90244 numMergedOcc 0
70 mol 186 unq 2 iso 0 dist 8.64409 7.18269 7.60202 12.6058 8.57801 7.21555 numMergedOcc 0
71 mol 186 unq 2 iso 1 dist 7.60202 7.18269 8.64409 7.21555 8.57801 12.6058 numMergedOcc 0
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73 mol 194 unq 0 iso 1 dist 8.12346 8.0179 6.26839 10.2793 5.53324 10.0756 numMergedOcc 0
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75 mol 194 unq 1 iso 1 dist 8.12346 8.0179 6.26839 9.09233 6.72182 11.8031 numMergedOcc 0
76 mol 194 unq 2 iso 0 dist 6.26839 14.6506 8.83356 10.0756 5.53324 10.463 numMergedOcc 0
77 mol 194 unq 2 iso 1 dist 8.83356 14.6506 6.26839 10.463 5.53324 10.0756 numMergedOcc 0
78 mol 194 unq 3 iso 0 dist 6.26839 14.6506 8.83356 11.8031 6.72182 4.66791 numMergedOcc 0
79 mol 194 unq 3 iso 1 dist 8.83356 14.6506 6.26839 4.66791 6.72182 11.8031 numMergedOcc 0
80 mol 194 unq 4 iso 0 dist 6.26839 8.48054 8.2654 10.0756 5.53324 12.8494 numMergedOcc 0
81 mol 194 unq 4 iso 1 dist 8.2654 8.48054 6.26839 12.8494 5.53324 10.0756 numMergedOcc 0
82 mol 194 unq 5 iso 0 dist 6.26839 8.48054 8.2654 11.8031 6.72182 7.73551 numMergedOcc 0
83 mol 194 unq 5 iso 1 dist 8.2654 8.48054 6.26839 7.73551 6.72182 11.8031 numMergedOcc 0
84 mol 194 unq 2 iso 0 dist 8.12346 13.5632 8.83356 10.2793 5.53324 10.463 numMergedOcc 0
85 mol 194 unq 2 iso 1 dist 8.83356 13.5632 8.12346 10.463 5.53324 10.2793 numMergedOcc 0
86 mol 194 unq 3 iso 0 dist 8.12346 13.5632 8.83356 9.09233 6.72182 4.66791 numMergedOcc 0
87 mol 194 unq 3 iso 1 dist 8.83356 13.5632 8.12346 4.66791 6.72182 9.09233 numMergedOcc 0
88 mol 194 unq 4 iso 0 dist 8.12346 6.26298 8.2654 10.2793 5.53324 12.8494 numMergedOcc 0
89 mol 194 unq 4 iso 1 dist 8.2654 6.26298 8.12346 12.8494 5.53324 10.2793 numMergedOcc 0
90 mol 194 unq 5 iso 0 dist 8.12346 6.26298 8.2654 9.09233 6.72182 7.73551 numMergedOcc 0
91 mol 194 unq 5 iso 1 dist 8.2654 6.26298 8.12346 7.73551 6.72182 9.09233 numMergedOcc 0
92 mol 194 unq 4 iso 0 dist 8.83356 11.6097 8.2654 10.463 5.53324 12.8494 numMergedOcc 0
93 mol 194 unq 4 iso 1 dist 8.2654 11.6097 8.83356 12.8494 5.53324 10.463 numMergedOcc 0
94 mol 194 unq 5 iso 0 dist 8.83356 11.6097 8.2654 4.66791 6.72182 7.73551 numMergedOcc 0
95 mol 194 unq 5 iso 1 dist 8.2654 11.6097 8.83356 7.73551 6.72182 4.66791 numMergedOcc 0
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99 mol 195 unq 1 iso 1 dist 7.62942 10.7531 6.60567 8.04534 7.87972 11.9954 numMergedOcc 0
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101 mol 198 unq 0 iso 1 dist 8.10985 11.6493 9.18635 9.76488 8.8864 5.33039 numMergedOcc 0
102 mol 198 unq 1 iso 0 dist 9.18635 11.6493 8.10985 10.1469 8.12201 6.0599 numMergedOcc 0
103 mol 198 unq 1 iso 1 dist 8.10985 11.6493 9.18635 6.0599 8.12201 10.1469 numMergedOcc 0
104 mol 198 unq 2 iso 0 dist 9.18635 11.6493 8.10985 5.76471 5.45162 6.05382 numMergedOcc 0
105 mol 198 unq 2 iso 1 dist 8.10985 11.6493 9.18635 6.05382 5.45162 5.76471 numMergedOcc 0
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107 mol 207 unq 0 iso 1 dist 7.96797 11.0921 8.32218 4.56899 8.78061 14.0642 numMergedOcc 0
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109 mol 212 unq 0 iso 1 dist 6.29767 4.12932 8.57827 3.9436 5.50658 6.47488 numMergedOcc 0
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111 mol 218 unq 0 iso 1 dist 6.29511 4.72474 8.86175 6.0516 8.04838 3.8877 numMergedOcc 0
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115 mol 222 unq 1 iso 1 dist 9.62632 9.57159 9.2581 5.16212 6.81955 6.25425 numMergedOcc 0
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118 mol 222 unq 3 iso 0 dist 9.2581 10.5806 7.862 9.01393 7.97027 8.84507 numMergedOcc 0
119 mol 222 unq 3 iso 1 dist 7.862 10.5806 9.2581 8.84507 7.97027 9.01393 numMergedOcc 0
120 mol 222 unq 4 iso 0 dist 9.2581 10.5806 7.862 6.25425 6.81955 8.67203 numMergedOcc 0
121 mol 222 unq 4 iso 1 dist 7.862 10.5806 9.2581 8.67203 6.81955 6.25425 numMergedOcc 0
122 mol 222 unq 5 iso 0 dist 9.2581 10.5806 7.862 5.64455 4.9876 6.02502 numMergedOcc 0
123 mol 222 unq 5 iso 1 dist 7.862 10.5806 9.2581 6.02502 4.9876 5.64455 numMergedOcc 0
124 mol 222 unq 3 iso 0 dist 9.62632 6.9154 7.862 13.3586 7.97027 8.84507 numMergedOcc 0
125 mol 222 unq 3 iso 1 dist 7.862 6.9154 9.62632 8.84507 7.97027 13.3586 numMergedOcc 0
126 mol 222 unq 4 iso 0 dist 9.62632 6.9154 7.862 5.16212 6.81955 8.67203 numMergedOcc 0
127 mol 222 unq 4 iso 1 dist 7.862 6.9154 9.62632 8.67203 6.81955 5.16212 numMergedOcc 0
128 mol 222 unq 5 iso 0 dist 9.62632 6.9154 7.862 5.9478 4.9876 6.02502 numMergedOcc 0
129 mol 222 unq 5 iso 1 dist 7.862 6.9154 9.62632 6.02502 4.9876 5.9478 numMergedOcc 0
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131 mol 227 unq 0 iso 1 dist 5.4694 5.22356 8.38865 4.69247 5.28771 4.1511 numMergedOcc 0
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133 mol 229 unq 0 iso 1 dist 8.08082 6.94172 8.92743 5.66641 6.42694 11.0437 numMergedOcc 0
134 mol 229 unq 1 iso 0 dist 8.92743 6.94172 8.08082 11.9989 7.63917 7.4175 numMergedOcc 0
135 mol 229 unq 1 iso 1 dist 8.08082 6.94172 8.92743 7.4175 7.63917 11.9989 numMergedOcc 0
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137 mol 229 unq 2 iso 1 dist 5.77318 7.0298 8.92743 7.46815 6.42694 11.0437 numMergedOcc 0
138 mol 229 unq 3 iso 0 dist 8.92743 7.0298 5.77318 11.9989 7.63917 5.37687 numMergedOcc 0
139 mol 229 unq 3 iso 1 dist 5.77318 7.0298 8.92743 5.37687 7.63917 11.9989 numMergedOcc 0
140 mol 229 unq 4 iso 0 dist 8.92743 15.7694 8.19603 11.0437 6.42694 6.62766 numMergedOcc 0
141 mol 229 unq 4 iso 1 dist 8.19603 15.7694 8.92743 6.62766 6.42694 11.0437 numMergedOcc 0
142 mol 229 unq 5 iso 0 dist 8.92743 15.7694 8.19603 11.9989 7.63917 6.03803 numMergedOcc 0
143 mol 229 unq 5 iso 1 dist 8.19603 15.7694 8.92743 6.03803 7.63917 11.9989 numMergedOcc 0
144 mol 229 unq 2 iso 0 dist 8.08082 5.5729 5.77318 5.66641 6.42694 7.46815 numMergedOcc 0
145 mol 229 unq 2 iso 1 dist 5.77318 5.5729 8.08082 7.46815 6.42694 5.66641 numMergedOcc 0
146 mol 229 unq 3 iso 0 dist 8.08082 5.5729 5.77318 7.4175 7.63917 5.37687 numMergedOcc 0
147 mol 229 unq 3 iso 1 dist 5.77318 5.5729 8.08082 5.37687 7.63917 7.4175 numMergedOcc 0
148 mol 229 unq 4 iso 0 dist 8.08082 11.3041 8.19603 5.66641 6.42694 6.62766 numMergedOcc 0
149 mol 229 unq 4 iso 1 dist 8.19603 11.3041 8.08082 6.62766 6.42694 5.66641 numMergedOcc 0
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155 mol 229 unq 5 iso 1 dist 8.19603 9.96077 5.77318 6.03803 7.63917 5.37687 numMergedOcc 0
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170 mol 276 unq 1 iso 0 dist 6.70215 10.6102 7.88706 4.51728 7.49391 9.33434 numMergedOcc 0
171 mol 276 unq 1 iso 1 dist 7.88706 10.6102 6.70215 9.33434 7.49391 4.51728 numMergedOcc 0
172 mol 276 unq 2 iso 0 dist 6.70215 8.62129 7.23916 4.51728 7.49391 12.2368 numMergedOcc 0
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175 mol 276 unq 1 iso 1 dist 7.88706 6.19843 7.25423 9.33434 7.49391 5.45206 numMergedOcc 0
176 mol 276 unq 2 iso 0 dist 7.25423 10.1636 7.23916 5.45206 7.49391 12.2368 numMergedOcc 0
177 mol 276 unq 2 iso 1 dist 7.23916 10.1636 7.25423 12.2368 7.49391 5.45206 numMergedOcc 0
178 mol 276 unq 2 iso 0 dist 7.88706 12.4616 7.23916 9.33434 7.49391 12.2368 numMergedOcc 0
179 mol 276 unq 2 iso 1 dist 7.23916 12.4616 7.88706 12.2368 7.49391 9.33434 numMergedOcc 0
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181 mol 278 unq 0 iso 1 dist 9.12395 5.74345 7.67245 10.9571 8.63072 13.5923 numMergedOcc 0
182 mol 278 unq 1 iso 0 dist 7.67245 5.74345 9.12395 10.0918 7.59696 6.48173 numMergedOcc 0
183 mol 278 unq 1 iso 1 dist 9.12395 5.74345 7.67245 6.48173 7.59696 10.0918 numMergedOcc 0
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185 mol 279 unq 0 iso 1 dist 6.43341 6.67478 8.29305 9.40912 5.8304 6.5644 numMergedOcc 0
186 mol 279 unq 1 iso 0 dist 8.29305 6.67478 6.43341 8.70069 7.37478 4.14939 numMergedOcc 0
187 mol 279 unq 1 iso 1 dist 6.43341 6.67478 8.29305 4.14939 7.37478 8.70069 numMergedOcc 0
