0 mol 8 unq 0 iso 0 dist 9.95165 15.9496 6.82379 16.9454 7.12263 5.7531 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.95165 15.9496 6.82379 8.95363 5.00267 11.0223 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 9.95165 14.678 6.24978 16.9454 7.12263 4.88215 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 9.95165 14.678 6.24978 8.95363 5.00267 6.80407 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 9.95165 17.3707 9.66439 16.9454 7.12263 6.36434 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 9.95165 17.3707 9.66439 8.95363 5.00267 8.44094 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 9.95165 12.915 7.3915 16.9454 7.12263 8.79272 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 9.95165 12.915 7.3915 8.95363 5.00267 6.32152 numMergedOcc 0
8 mol 8 unq 8 iso 0 dist 8.4444 5.95251 7.8922 7.20987 5.00267 5.02333 numMergedOcc 0
9 mol 19 unq 0 iso 0 dist 9.23617 11.8354 7.48847 6.57527 7.69625 8.19436 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 6.57527 7.69625 10.3648 numMergedOcc 0
11 mol 19 unq 2 iso 0 dist 9.23617 10.38 6.36455 6.57527 7.69625 6.49317 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 8.59114 5.67097 7.48847 8.42839 7.69625 8.19436 numMergedOcc 0
13 mol 19 unq 4 iso 0 dist 8.59114 14.3476 6.92532 8.42839 7.69625 10.3648 numMergedOcc 0
14 mol 19 unq 5 iso 0 dist 8.59114 12.7 6.36455 8.42839 7.69625 6.49317 numMergedOcc 0
15 mol 19 unq 6 iso 0 dist 8.63204 15.2051 7.48847 11.9235 7.69625 8.19436 numMergedOcc 0
16 mol 19 unq 7 iso 0 dist 8.63204 6.57145 6.92532 11.9235 7.69625 10.3648 numMergedOcc 0
17 mol 19 unq 8 iso 0 dist 8.63204 6.01189 6.36455 11.9235 7.69625 6.49317 numMergedOcc 0
18 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 13.674 9.38831 6.58998 numMergedOcc 0
19 mol 24 unq 1 iso 0 dist 4.61828 8.8926 7.83786 13.674 9.38831 11.0493 numMergedOcc 0
20 mol 53 unq 0 iso 0 dist 8.83047 14.3035 7.09169 8.60221 4.75776 8.19773 numMergedOcc 0
21 mol 53 unq 1 iso 0 dist 6.95013 5.02495 7.09169 9.61297 4.75776 8.19773 numMergedOcc 0
22 mol 56 unq 0 iso 0 dist 6.78356 14.6957 8.63486 7.66366 6.91393 12.8132 numMergedOcc 0
23 mol 56 unq 1 iso 0 dist 6.78356 14.6957 8.63486 5.79574 8.40038 16.7219 numMergedOcc 0
24 mol 73 unq 0 iso 0 dist 8.91206 12.3394 8.03303 16.3838 8.58543 8.92736 numMergedOcc 0
25 mol 73 unq 1 iso 0 dist 8.67513 14.4506 8.03303 10.3777 8.58543 8.92736 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 9.08671 13.2962 8.67766 12.5938 9.92553 11.8348 numMergedOcc 0
27 mol 109 unq 1 iso 0 dist 9.08671 10.223 8.0831 12.5938 9.92553 15.0307 numMergedOcc 0
28 mol 112 unq 0 iso 0 dist 7.35503 10.0299 7.23962 6.80122 9.74569 6.89221 numMergedOcc 0
29 mol 112 unq 1 iso 0 dist 7.35503 9.13496 9.00067 6.80122 9.74569 5.52645 numMergedOcc 0
30 mol 112 unq 2 iso 0 dist 7.35503 10.1793 9.89499 6.80122 9.74569 9.88449 numMergedOcc 0
31 mol 112 unq 3 iso 0 dist 7.35503 11.5698 7.30204 6.80122 9.74569 9.96887 numMergedOcc 0
32 mol 112 unq 4 iso 0 dist 8.79543 11.7503 7.23962 7.8709 9.74569 6.89221 numMergedOcc 0
33 mol 112 unq 5 iso 0 dist 8.79543 8.0952 9.00067 7.8709 9.74569 5.52645 numMergedOcc 0
34 mol 112 unq 6 iso 0 dist 8.79543 7.12714 9.89499 7.8709 9.74569 9.88449 numMergedOcc 0
35 mol 112 unq 7 iso 0 dist 8.79543 10.886 7.30204 7.8709 9.74569 9.96887 numMergedOcc 0
36 mol 112 unq 8 iso 0 dist 6.48223 10.626 7.23962 11.9632 9.74569 6.89221 numMergedOcc 0
37 mol 112 unq 9 iso 0 dist 6.48223 8.19562 9.00067 11.9632 9.74569 5.52645 numMergedOcc 0
38 mol 112 unq 10 iso 0 dist 6.48223 5.71097 9.89499 11.9632 9.74569 9.88449 numMergedOcc 0
39 mol 112 unq 11 iso 0 dist 6.48223 5.27363 7.30204 11.9632 9.74569 9.96887 numMergedOcc 0
40 mol 115 unq 0 iso 0 dist 8.99731 7.64822 5.72642 4.64486 8.71286 7.21418 numMergedOcc 0
41 mol 119 unq 0 iso 0 dist 8.84146 13.7656 7.77116 16.2159 8.03035 4.91132 numMergedOcc 0
42 mol 119 unq 1 iso 0 dist 8.84146 13.7656 7.77116 11.6573 7.6968 6.08167 numMergedOcc 0
43 mol 152 unq 0 iso 0 dist 9.19078 7.17016 9.77552 6.79236 6.39031 7.2238 numMergedOcc 0
44 mol 152 unq 1 iso 0 dist 9.19078 11.3742 8.28642 6.79236 6.39031 5.59336 numMergedOcc 0
45 mol 156 unq 0 iso 0 dist 9.17868 9.72865 9.31851 7.59931 4.9941 10.7975 numMergedOcc 0
46 mol 156 unq 1 iso 0 dist 9.17868 9.72865 9.31851 17.1327 8.06913 13.6634 numMergedOcc 0
47 mol 156 unq 2 iso 0 dist 9.17868 9.85133 6.2319 7.59931 4.9941 5.71107 numMergedOcc 0
48 mol 156 unq 3 iso 0 dist 9.17868 9.85133 6.2319 17.1327 8.06913 10.7023 numMergedOcc 0
49 mol 156 unq 4 iso 0 dist 9.17868 15.9362 9.97732 7.59931 4.9941 11.2067 numMergedOcc 0
50 mol 156 unq 5 iso 0 dist 9.17868 15.9362 9.97732 17.1327 8.06913 9.00862 numMergedOcc 0
51 mol 186 unq 0 iso 0 dist 4.97005 11.3961 9.56197 10.0516 7.55358 9.27818 numMergedOcc 0
52 mol 186 unq 1 iso 0 dist 4.97005 11.3961 9.56197 5.57831 7.60991 9.55926 numMergedOcc 0
53 mol 186 unq 2 iso 0 dist 4.97005 10.0248 7.24795 10.0516 7.55358 13.0197 numMergedOcc 0
54 mol 186 unq 3 iso 0 dist 4.97005 10.0248 7.24795 5.57831 7.60991 12.9082 numMergedOcc 0
55 mol 186 unq 4 iso 0 dist 4.97005 9.14781 8.64409 10.0516 7.55358 4.37002 numMergedOcc 0
56 mol 186 unq 5 iso 0 dist 4.97005 9.14781 8.64409 5.57831 7.60991 4.64235 numMergedOcc 0
57 mol 186 unq 6 iso 0 dist 4.97005 6.69897 7.60202 10.0516 7.55358 9.72941 numMergedOcc 0
58 mol 186 unq 7 iso 0 dist 4.97005 6.69897 7.60202 5.57831 7.60991 5.39885 numMergedOcc 0
59 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 10.3444 5.52678 6.66155 numMergedOcc 0
60 mol 194 unq 1 iso 0 dist 8.63008 13.445 6.26839 14.1482 9.81666 5.4499 numMergedOcc 0
61 mol 194 unq 2 iso 0 dist 8.63008 15.3582 8.12346 10.3444 5.52678 6.12973 numMergedOcc 0
62 mol 194 unq 3 iso 0 dist 8.63008 15.3582 8.12346 14.1482 9.81666 11.0239 numMergedOcc 0
63 mol 194 unq 4 iso 0 dist 8.63008 10.977 8.83356 10.3444 5.52678 13.0333 numMergedOcc 0
64 mol 194 unq 5 iso 0 dist 8.63008 10.977 8.83356 14.1482 9.81666 18.6469 numMergedOcc 0
65 mol 194 unq 6 iso 0 dist 8.63008 16.6746 8.2654 10.3444 5.52678 10.1796 numMergedOcc 0
66 mol 194 unq 7 iso 0 dist 8.63008 16.6746 8.2654 14.1482 9.81666 13.5457 numMergedOcc 0
67 mol 225 unq 0 iso 0 dist 8.768 6.89798 6.6561 6.78745 6.53728 4.76151 numMergedOcc 0
68 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 10.8608 9.56257 10.5813 numMergedOcc 0
69 mol 227 unq 1 iso 0 dist 9.33735 10.8811 5.4694 10.8608 9.56257 7.22396 numMergedOcc 0
70 mol 237 unq 0 iso 0 dist 9.93731 15.2252 9.4811 15.6478 7.31113 6.46131 numMergedOcc 0
71 mol 237 unq 1 iso 0 dist 9.93731 15.2252 9.4811 16.6047 8.10263 6.89616 numMergedOcc 0
72 mol 237 unq 2 iso 0 dist 9.93731 15.2252 9.4811 10.6184 6.45845 7.36499 numMergedOcc 0
73 mol 237 unq 3 iso 0 dist 9.93731 15.2252 9.4811 8.66993 9.53139 10.2142 numMergedOcc 0
74 mol 237 unq 4 iso 0 dist 9.93731 7.3235 6.50471 15.6478 7.31113 9.59927 numMergedOcc 0
75 mol 237 unq 5 iso 0 dist 9.93731 7.3235 6.50471 16.6047 8.10263 10.7975 numMergedOcc 0
76 mol 237 unq 6 iso 0 dist 9.93731 7.3235 6.50471 10.6184 6.45845 5.63225 numMergedOcc 0
77 mol 237 unq 7 iso 0 dist 9.93731 7.3235 6.50471 8.66993 9.53139 5.12181 numMergedOcc 0
78 mol 237 unq 8 iso 0 dist 7.68769 9.81634 7.42587 16.3643 9.84466 13.1083 numMergedOcc 0
79 mol 237 unq 9 iso 0 dist 7.68769 9.81634 7.42587 12.532 6.16557 6.23145 numMergedOcc 0
80 mol 237 unq 10 iso 0 dist 7.68769 9.81634 7.42587 7.41102 5.4813 7.11441 numMergedOcc 0
81 mol 251 unq 0 iso 0 dist 5.0953 5.6933 8.01198 3.92576 8.53757 6.6269 numMergedOcc 0
82 mol 294 unq 0 iso 0 dist 9.21767 9.04205 7.91611 5.62181 7.41079 6.21267 numMergedOcc 0
83 mol 294 unq 1 iso 0 dist 6.16375 6.99988 7.91611 10.0223 7.41079 6.21267 numMergedOcc 0
