0 mol 0 unq 0 iso 0 dist 9.19007 7.02374 7.92928 6.0225 6.94943 4.22598 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 5.72491 10.789 9.55056 7.12508 8.15894 4.40641 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 5.72491 10.515 7.45262 7.12508 8.15894 7.92429 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 7.88043 12.2708 9.55056 12.8323 8.15894 4.40641 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 7.88043 6.06176 7.45262 12.8323 8.15894 7.92429 numMergedOcc 0
5 mol 7 unq 4 iso 0 dist 8.80762 12.2708 7.57354 12.8323 8.45544 4.40641 numMergedOcc 0
6 mol 7 unq 5 iso 0 dist 8.80762 6.06176 6.96586 12.8323 8.45544 7.92429 numMergedOcc 0
7 mol 9 unq 0 iso 0 dist 9.78006 5.60154 8.04924 5.84314 7.05919 3.91075 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 5.69955 9.87119 7.61055 8.25132 6.73167 10.267 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 5.69955 9.87119 7.61055 4.94205 7.40948 6.77624 numMergedOcc 0
10 mol 26 unq 2 iso 0 dist 8.6385 4.74747 7.61055 7.73394 6.73167 10.267 numMergedOcc 0
11 mol 26 unq 3 iso 0 dist 8.6385 4.74747 7.61055 7.42064 7.40948 6.77624 numMergedOcc 0
12 mol 56 unq 0 iso 0 dist 8.63486 11.2318 8.98797 6.15355 5.07125 6.43007 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 9.81831 8.58164 7.85041 16.1023 7.8435 12.1673 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 9.81831 8.58164 7.85041 13.1721 5.99269 7.30779 numMergedOcc 0
15 mol 93 unq 2 iso 0 dist 9.81831 8.58164 7.85041 9.34182 5.71763 9.18194 numMergedOcc 0
16 mol 93 unq 3 iso 0 dist 9.12858 9.67788 7.85041 12.4934 7.8435 12.1673 numMergedOcc 0
17 mol 93 unq 4 iso 0 dist 9.12858 9.67788 7.85041 11.0537 5.99269 7.30779 numMergedOcc 0
18 mol 93 unq 5 iso 0 dist 9.12858 9.67788 7.85041 12.0103 5.71763 9.18194 numMergedOcc 0
19 mol 93 unq 6 iso 0 dist 9.4523 5.33106 7.85041 10.8106 7.8435 12.1673 numMergedOcc 0
20 mol 93 unq 7 iso 0 dist 9.4523 5.33106 7.85041 7.14217 5.99269 7.30779 numMergedOcc 0
21 mol 93 unq 8 iso 0 dist 9.4523 5.33106 7.85041 12.9351 5.71763 9.18194 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 6.43433 6.72991 7.82011 10.5563 5.43933 8.36589 numMergedOcc 0
23 mol 112 unq 1 iso 0 dist 6.43433 6.72991 7.82011 6.95317 4.99604 4.89178 numMergedOcc 0
24 mol 112 unq 2 iso 0 dist 6.43433 6.72991 7.82011 13.5094 9.97483 10.119 numMergedOcc 0
25 mol 112 unq 3 iso 0 dist 6.43433 6.72991 7.82011 6.75738 7.44041 9.69404 numMergedOcc 0
26 mol 112 unq 4 iso 0 dist 9.92283 8.57646 7.82011 12.6108 5.43933 8.36589 numMergedOcc 0
27 mol 112 unq 5 iso 0 dist 9.92283 8.57646 7.82011 10.9279 4.99604 4.89178 numMergedOcc 0
28 mol 112 unq 6 iso 0 dist 9.92283 8.57646 7.82011 13.764 9.97483 10.119 numMergedOcc 0
29 mol 112 unq 7 iso 0 dist 9.92283 8.57646 7.82011 5.43385 7.44041 9.69404 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 5.72642 11.7126 9.9928 5.03039 8.4965 13.2709 numMergedOcc 0
31 mol 130 unq 0 iso 0 dist 8.33077 8.84655 6.42785 7.21225 6.5739 11.4437 numMergedOcc 0
32 mol 130 unq 1 iso 0 dist 9.28592 10.3933 6.82089 8.14075 8.24966 4.02212 numMergedOcc 0
33 mol 130 unq 2 iso 0 dist 9.28592 9.16988 5.38314 8.14075 8.24966 5.46642 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 9.15431 7.71288 9.39683 4.57579 6.78801 8.34485 numMergedOcc 0
35 mol 131 unq 1 iso 0 dist 6.92648 4.89973 9.39683 8.57203 6.78801 8.34485 numMergedOcc 0
36 mol 131 unq 2 iso 0 dist 9.29384 7.00551 9.39683 12.6005 6.78801 8.34485 numMergedOcc 0
37 mol 143 unq 0 iso 0 dist 7.25673 6.01455 7.88655 4.78563 8.612 4.38322 numMergedOcc 0
38 mol 147 unq 0 iso 0 dist 5.49226 5.08802 5.1101 12.068 9.43989 11.4653 numMergedOcc 0
39 mol 147 unq 1 iso 0 dist 5.49226 10.1972 7.01133 12.068 9.43989 7.68412 numMergedOcc 0
40 mol 147 unq 2 iso 0 dist 6.28351 8.59354 5.1101 5.59468 9.43989 11.4653 numMergedOcc 0
41 mol 147 unq 3 iso 0 dist 6.28351 8.54341 7.01133 5.59468 9.43989 7.68412 numMergedOcc 0
42 mol 158 unq 0 iso 0 dist 7.88319 6.63727 6.39981 13.7172 6.11331 9.88872 numMergedOcc 0
43 mol 159 unq 0 iso 0 dist 7.25742 4.57561 7.13269 4.48323 6.07821 4.27525 numMergedOcc 0
44 mol 171 unq 0 iso 0 dist 7.71426 8.08908 5.73148 11.8244 9.13027 11.9654 numMergedOcc 0
45 mol 171 unq 1 iso 0 dist 5.10618 6.05805 5.73148 13.9189 9.13027 11.9654 numMergedOcc 0
46 mol 171 unq 2 iso 0 dist 9.86681 8.83561 5.73148 8.25926 9.13027 11.9654 numMergedOcc 0
47 mol 178 unq 0 iso 0 dist 4.92088 5.25267 5.98771 6.42973 8.25282 5.88866 numMergedOcc 0
48 mol 186 unq 0 iso 0 dist 9.83476 13.1933 7.94153 13.6744 7.04815 5.93479 numMergedOcc 0
49 mol 186 unq 1 iso 0 dist 9.83476 13.1933 7.94153 15.0914 6.07389 5.86306 numMergedOcc 0
50 mol 188 unq 0 iso 0 dist 8.57261 12.0548 7.48284 9.71636 7.79115 6.39872 numMergedOcc 0
51 mol 194 unq 0 iso 0 dist 6.26839 15.9311 9.77862 10.0756 5.53324 8.31541 numMergedOcc 0
52 mol 194 unq 1 iso 0 dist 6.26839 15.9311 9.77862 11.8031 6.72182 6.72001 numMergedOcc 0
53 mol 194 unq 2 iso 0 dist 8.12346 13.7758 9.77862 10.2793 5.53324 8.31541 numMergedOcc 0
54 mol 194 unq 3 iso 0 dist 8.12346 13.7758 9.77862 9.09233 6.72182 6.72001 numMergedOcc 0
55 mol 194 unq 4 iso 0 dist 8.83356 5.38925 9.77862 10.463 5.53324 8.31541 numMergedOcc 0
56 mol 194 unq 5 iso 0 dist 8.83356 5.38925 9.77862 4.66791 6.72182 6.72001 numMergedOcc 0
57 mol 194 unq 6 iso 0 dist 8.2654 14.2415 9.77862 12.8494 5.53324 8.31541 numMergedOcc 0
58 mol 194 unq 7 iso 0 dist 8.2654 14.2415 9.77862 7.73551 6.72182 6.72001 numMergedOcc 0
59 mol 195 unq 0 iso 0 dist 6.60567 13.6975 9.79691 5.41635 6.34234 10.5776 numMergedOcc 0
60 mol 195 unq 1 iso 0 dist 6.60567 13.6975 9.79691 11.9954 7.87972 4.18074 numMergedOcc 0
61 mol 195 unq 2 iso 0 dist 7.62942 6.08211 9.79691 6.04871 6.34234 10.5776 numMergedOcc 0
62 mol 195 unq 3 iso 0 dist 7.62942 6.08211 9.79691 8.04534 7.87972 4.18074 numMergedOcc 0
63 mol 198 unq 0 iso 0 dist 9.18635 5.72073 8.15936 5.33039 8.8864 4.12366 numMergedOcc 0
64 mol 198 unq 1 iso 0 dist 9.18635 5.72073 8.15936 10.1469 8.12201 8.27289 numMergedOcc 0
65 mol 198 unq 2 iso 0 dist 9.18635 5.72073 8.15936 5.76471 5.45162 7.09645 numMergedOcc 0
66 mol 198 unq 3 iso 0 dist 9.18635 9.94078 8.16598 5.33039 8.8864 5.7714 numMergedOcc 0
67 mol 198 unq 4 iso 0 dist 9.18635 9.94078 8.16598 10.1469 8.12201 5.50315 numMergedOcc 0
68 mol 198 unq 5 iso 0 dist 9.18635 9.94078 8.16598 5.76471 5.45162 8.18633 numMergedOcc 0
69 mol 198 unq 6 iso 0 dist 8.10985 12.2117 8.15936 9.76488 8.8864 4.12366 numMergedOcc 0
70 mol 198 unq 7 iso 0 dist 8.10985 12.2117 8.15936 6.0599 8.12201 8.27289 numMergedOcc 0
71 mol 198 unq 8 iso 0 dist 8.10985 12.2117 8.15936 6.05382 5.45162 7.09645 numMergedOcc 0
72 mol 198 unq 9 iso 0 dist 8.10985 10.8191 8.16598 9.76488 8.8864 5.7714 numMergedOcc 0
73 mol 198 unq 10 iso 0 dist 8.10985 10.8191 8.16598 6.0599 8.12201 5.50315 numMergedOcc 0
74 mol 198 unq 11 iso 0 dist 8.10985 10.8191 8.16598 6.05382 5.45162 8.18633 numMergedOcc 0
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77 mol 225 unq 1 iso 0 dist 8.87609 5.06326 7.29542 17.3148 9.87668 13.317 numMergedOcc 0
78 mol 225 unq 2 iso 0 dist 8.87609 5.06326 7.29542 13.3773 8.42121 10.43 numMergedOcc 0
79 mol 225 unq 3 iso 0 dist 8.87609 5.06326 7.29542 3.97158 7.8744 6.24324 numMergedOcc 0
80 mol 225 unq 4 iso 0 dist 8.87609 5.06326 7.29542 9.9875 4.98402 10.7885 numMergedOcc 0
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84 mol 227 unq 3 iso 0 dist 5.4694 8.8709 7.89801 4.69247 5.28771 12.0749 numMergedOcc 0
85 mol 227 unq 4 iso 0 dist 8.03442 6.43754 7.1372 5.0317 9.43618 4.09934 numMergedOcc 0
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88 mol 238 unq 1 iso 0 dist 5.52379 13.9614 9.47845 4.48415 6.53286 11.7938 numMergedOcc 0
89 mol 238 unq 2 iso 0 dist 5.52379 12.3042 6.92409 4.48415 6.53286 11.7709 numMergedOcc 0
90 mol 238 unq 3 iso 0 dist 5.52379 5.54325 6.89694 4.48415 6.53286 6.12722 numMergedOcc 0
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92 mol 252 unq 1 iso 0 dist 8.47784 4.23801 5.2361 6.62402 8.19529 4.21466 numMergedOcc 0
93 mol 252 unq 2 iso 0 dist 8.47784 4.23801 5.2361 10.2463 6.45396 6.19861 numMergedOcc 0
94 mol 252 unq 3 iso 0 dist 8.47784 13.6996 5.57515 6.62402 8.19529 11.9287 numMergedOcc 0
95 mol 252 unq 4 iso 0 dist 8.47784 13.6996 5.57515 10.2463 6.45396 7.84988 numMergedOcc 0
96 mol 252 unq 5 iso 0 dist 8.47784 15.4395 8.28694 6.62402 8.19529 11.5083 numMergedOcc 0
97 mol 252 unq 6 iso 0 dist 8.47784 15.4395 8.28694 10.2463 6.45396 6.38319 numMergedOcc 0
98 mol 252 unq 7 iso 0 dist 8.66469 9.12442 5.2361 8.71281 8.19529 4.21466 numMergedOcc 0
99 mol 252 unq 8 iso 0 dist 8.66469 9.12442 5.2361 4.54582 6.45396 6.19861 numMergedOcc 0
100 mol 252 unq 9 iso 0 dist 8.66469 7.35945 5.57515 8.71281 8.19529 11.9287 numMergedOcc 0
101 mol 252 unq 10 iso 0 dist 8.66469 7.35945 5.57515 4.54582 6.45396 7.84988 numMergedOcc 0
102 mol 252 unq 11 iso 0 dist 8.66469 5.26003 8.28694 8.71281 8.19529 11.5083 numMergedOcc 0
103 mol 252 unq 12 iso 0 dist 8.66469 5.26003 8.28694 4.54582 6.45396 6.38319 numMergedOcc 0
104 mol 264 unq 0 iso 0 dist 6.04162 8.16326 9.42738 11.4167 7.14086 9.04569 numMergedOcc 0
105 mol 264 unq 1 iso 0 dist 6.14323 12.3807 9.42738 13.2035 7.14086 9.04569 numMergedOcc 0
106 mol 279 unq 0 iso 0 dist 8.29305 5.3373 8.23056 6.5644 5.8304 6.25207 numMergedOcc 0
107 mol 279 unq 1 iso 0 dist 8.29305 5.3373 8.23056 8.70069 7.37478 10.8722 numMergedOcc 0
108 mol 279 unq 2 iso 0 dist 6.43341 7.18967 8.23056 9.40912 5.8304 6.25207 numMergedOcc 0
109 mol 279 unq 3 iso 0 dist 6.43341 7.18967 8.23056 4.14939 7.37478 10.8722 numMergedOcc 0
