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Jacky233emm
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GlycoShape_1

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GlycoShape_1 / raw_data /GS00007 /GLYCAM /beta.pdb
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REMARK GENERATED BY GlycanAnalysisPipeline from GlycoShape
REMARK ____ _ ____ _
REMARK / ___| |_ _ ___ ___/ ___|| |__ __ _ _ __ ___
REMARK | | _| | | | |/ __/ _ \___ \| '_ \ / _` | '_ \ / _ \
REMARK | |_| | | |_| | (_| (_) |__) | | | | (_| | |_) | __/
REMARK \____|_|\__, |\___\___/____/|_| |_|\__,_| .__/ \___|
REMARK |___/ |_|
REMARK https://GlycoShape.org
REMARK GlyTouCan ID: G27243GN
REMARK IUPAC Name: Neu5Ac(a2-8)Neu5Gc(a2-3)Gal(b1-4)Glc(b1-
REMARK Cite: Restoring protein glycosylation with GlycoShape.
REMARK Nat Methods 21, 2117–2127 (2024). https://doi.org/10.1038/s41592-024-02464-7
REMARK Callum M. Ives* and Ojas Singh*, Silvia D'Andrea, Carl A. Fogarty,
REMARK Aoife M. Harbison, Akash Satheesan, Beatrice Tropea, Elisa Fadda
REMARK Data available under CC BY-NC-ND 4.0 for academic use only.
REMARK Contact elisa.fadda@soton.ac.uk for commercial licence.
REMARK GLYCAN MULTI-MODEL PDB LEVEL LEVEL_2 ANOMER BETA
MODEL 1
ATOM 1 HO1 ROH X 1 28.559 17.471 25.984 1.00 0.00 H
ATOM 2 O1 ROH X 1 28.928 18.345 25.881 1.00 0.00 O
ATOM 3 C1 4GA X 2 27.954 19.283 26.388 1.00 0.00 C
ATOM 4 H1 4GA X 2 27.709 19.159 27.447 1.00 0.00 H
ATOM 5 C2 4GA X 2 28.464 20.730 26.126 1.00 0.00 C
ATOM 6 H2 4GA X 2 28.582 20.875 25.055 1.00 0.00 H
ATOM 7 O2 4GA X 2 29.671 21.072 26.872 1.00 0.00 O
ATOM 8 H2O 4GA X 2 29.389 21.357 27.747 1.00 0.00 H
ATOM 9 C3 4GA X 2 27.329 21.783 26.431 1.00 0.00 C
ATOM 10 H3 4GA X 2 27.060 21.650 27.477 1.00 0.00 H
ATOM 11 O3 4GA X 2 27.722 23.147 26.116 1.00 0.00 O
ATOM 12 H3O 4GA X 2 27.088 23.725 26.556 1.00 0.00 H
ATOM 13 C4 4GA X 2 26.052 21.471 25.678 1.00 0.00 C
ATOM 14 H4 4GA X 2 26.194 21.762 24.639 1.00 0.00 H
ATOM 15 C5 4GA X 2 25.624 19.996 25.841 1.00 0.00 C
ATOM 16 H5 4GA X 2 25.246 19.822 26.848 1.00 0.00 H
ATOM 17 C6 4GA X 2 24.492 19.615 24.803 1.00 0.00 C
ATOM 18 H62 4GA X 2 23.967 18.688 25.028 1.00 0.00 H
ATOM 19 H61 4GA X 2 23.720 20.383 24.714 1.00 0.00 H
ATOM 20 O6 4GA X 2 25.016 19.405 23.529 1.00 0.00 O
ATOM 21 H6O 4GA X 2 24.264 19.394 22.928 1.00 0.00 H
ATOM 22 O5 4GA X 2 26.707 19.018 25.654 1.00 0.00 O
ATOM 23 O4 4GA X 2 24.963 22.332 26.238 1.00 0.00 O
ATOM 24 C1 3LB X 3 24.300 23.245 25.332 1.00 0.00 C
ATOM 25 H1 3LB X 3 24.250 22.713 24.378 1.00 0.00 H
ATOM 26 O5 3LB X 3 25.092 24.494 25.203 1.00 0.00 O
ATOM 27 C5 3LB X 3 24.615 25.511 24.349 1.00 0.00 C
ATOM 28 H5 3LB X 3 24.488 25.136 23.334 1.00 0.00 H
ATOM 29 C6 3LB X 3 25.563 26.694 24.376 1.00 0.00 C
ATOM 30 H62 3LB X 3 25.880 26.931 25.395 1.00 0.00 H
ATOM 31 H61 3LB X 3 25.139 27.598 23.938 1.00 0.00 H
ATOM 32 O6 3LB X 3 26.692 26.367 23.656 1.00 0.00 O
ATOM 33 H6O 3LB X 3 26.944 25.457 23.853 1.00 0.00 H
ATOM 34 C4 3LB X 3 23.210 25.912 24.708 1.00 0.00 C
ATOM 35 H4 3LB X 3 22.753 26.577 23.975 1.00 0.00 H
ATOM 36 O4 3LB X 3 23.065 26.604 25.959 1.00 0.00 O
ATOM 37 H4O 3LB X 3 22.160 26.846 26.152 1.00 0.00 H
ATOM 38 C3 3LB X 3 22.327 24.578 24.746 1.00 0.00 C
ATOM 39 H3 3LB X 3 22.291 24.165 23.737 1.00 0.00 H
ATOM 40 C2 3LB X 3 22.851 23.548 25.770 1.00 0.00 C
ATOM 41 H2 3LB X 3 22.798 23.993 26.764 1.00 0.00 H
ATOM 42 O2 3LB X 3 21.960 22.408 25.774 1.00 0.00 O
ATOM 43 H2O 3LB X 3 21.806 22.158 24.857 1.00 0.00 H
ATOM 44 O3 3LB X 3 20.905 25.015 25.052 1.00 0.00 O
ATOM 45 C2 8GL X 4 19.914 25.294 24.033 1.00 0.00 C
ATOM 46 C1 8GL X 4 20.124 26.655 23.167 1.00 0.00 C
ATOM 47 O1A 8GL X 4 19.735 26.600 21.952 1.00 0.00 O
ATOM 48 O1B 8GL X 4 20.353 27.778 23.694 1.00 0.00 O
ATOM 49 C3 8GL X 4 18.683 25.540 24.900 1.00 0.00 C
ATOM 50 H3E 8GL X 4 18.841 26.509 25.373 1.00 0.00 H
ATOM 51 H3A 8GL X 4 18.561 24.852 25.734 1.00 0.00 H
ATOM 52 C4 8GL X 4 17.377 25.492 24.076 1.00 0.00 C
ATOM 53 H4 8GL X 4 17.249 26.286 23.345 1.00 0.00 H
ATOM 54 O4 8GL X 4 16.297 25.781 25.007 1.00 0.00 O
ATOM 55 H4O 8GL X 4 16.442 26.694 25.241 1.00 0.00 H
ATOM 56 C5 8GL X 4 17.335 24.079 23.313 1.00 0.00 C
ATOM 57 H5 8GL X 4 17.328 23.287 24.055 1.00 0.00 H
ATOM 58 N5 8GL X 4 16.158 24.011 22.412 1.00 0.00 N
ATOM 59 H5N 8GL X 4 16.252 24.490 21.536 1.00 0.00 H
ATOM 60 C5N 8GL X 4 15.154 23.202 22.641 1.00 0.00 C
ATOM 61 CME 8GL X 4 13.910 23.338 21.617 1.00 0.00 C
ATOM 62 H2M 8GL X 4 14.327 23.099 20.641 1.00 0.00 H
ATOM 63 H1M 8GL X 4 13.615 24.384 21.530 1.00 0.00 H
ATOM 64 OHG 8GL X 4 12.804 22.456 21.939 1.00 0.00 O
ATOM 65 HOG 8GL X 4 12.202 22.902 22.555 1.00 0.00 H
ATOM 66 O5N 8GL X 4 15.077 22.466 23.617 1.00 0.00 O
ATOM 67 C6 8GL X 4 18.588 23.839 22.450 1.00 0.00 C
ATOM 68 H6 8GL X 4 18.513 24.586 21.657 1.00 0.00 H
ATOM 69 O6 8GL X 4 19.760 24.069 23.300 1.00 0.00 O
ATOM 70 C7 8GL X 4 18.657 22.442 21.815 1.00 0.00 C
ATOM 71 H7 8GL X 4 17.678 22.154 21.422 1.00 0.00 H
ATOM 72 O7 8GL X 4 18.959 21.564 22.913 1.00 0.00 O
ATOM 73 H7O 8GL X 4 19.733 21.899 23.364 1.00 0.00 H
ATOM 74 C8 8GL X 4 19.697 22.156 20.721 1.00 0.00 C
ATOM 75 H8 8GL X 4 19.800 21.064 20.732 1.00 0.00 H
ATOM 76 C9 8GL X 4 19.238 22.517 19.341 1.00 0.00 C
ATOM 77 H9S 8GL X 4 19.835 22.200 18.487 1.00 0.00 H
ATOM 78 H9R 8GL X 4 18.251 22.106 19.116 1.00 0.00 H
ATOM 79 O9 8GL X 4 19.082 24.021 19.381 1.00 0.00 O
ATOM 80 H9O 8GL X 4 19.925 24.459 19.331 1.00 0.00 H
ATOM 81 O8 8GL X 4 20.995 22.820 21.050 1.00 0.00 O
ATOM 82 C2 0SA X 5 22.138 22.039 20.901 1.00 0.00 C
ATOM 83 C1 0SA X 5 22.377 21.167 22.254 1.00 0.00 C
ATOM 84 O1A 0SA X 5 23.073 20.188 22.028 1.00 0.00 O
ATOM 85 O1B 0SA X 5 21.801 21.475 23.316 1.00 0.00 O
ATOM 86 C3 0SA X 5 23.261 23.047 20.778 1.00 0.00 C
ATOM 87 H3E 0SA X 5 23.418 23.696 21.638 1.00 0.00 H
ATOM 88 H3A 0SA X 5 22.893 23.756 20.026 1.00 0.00 H
ATOM 89 C4 0SA X 5 24.576 22.371 20.248 1.00 0.00 C
ATOM 90 H4 0SA X 5 24.941 21.653 20.980 1.00 0.00 H
ATOM 91 C5 0SA X 5 24.352 21.607 18.896 1.00 0.00 C
ATOM 92 H5 0SA X 5 24.214 22.348 18.097 1.00 0.00 H
ATOM 93 C6 0SA X 5 23.244 20.594 19.137 1.00 0.00 C
ATOM 94 H6 0SA X 5 23.559 19.905 19.919 1.00 0.00 H
ATOM 95 C7 0SA X 5 22.761 19.642 18.014 1.00 0.00 C
ATOM 96 H7 0SA X 5 23.543 18.889 17.903 1.00 0.00 H
ATOM 97 C8 0SA X 5 21.422 18.885 18.275 1.00 0.00 C
ATOM 98 H8 0SA X 5 20.644 19.591 18.575 1.00 0.00 H
ATOM 99 C9 0SA X 5 20.742 18.068 17.086 1.00 0.00 C
ATOM 100 H9S 0SA X 5 19.709 17.775 17.287 1.00 0.00 H
ATOM 101 H9R 0SA X 5 20.776 18.734 16.222 1.00 0.00 H
ATOM 102 O9 0SA X 5 21.618 16.959 16.735 1.00 0.00 O
ATOM 103 H9O 0SA X 5 22.005 16.549 17.521 1.00 0.00 H
ATOM 104 O8 0SA X 5 21.579 18.003 19.459 1.00 0.00 O
ATOM 105 H8O 0SA X 5 20.692 17.816 19.781 1.00 0.00 H
ATOM 106 O7 0SA X 5 22.726 20.370 16.734 1.00 0.00 O
ATOM 107 H7O 0SA X 5 23.583 20.613 16.368 1.00 0.00 H
ATOM 108 O6 0SA X 5 22.094 21.349 19.581 1.00 0.00 O
ATOM 109 N5 0SA X 5 25.629 20.947 18.514 1.00 0.00 N
ATOM 110 H5N 0SA X 5 26.233 20.588 19.237 1.00 0.00 H
ATOM 111 C5N 0SA X 5 26.172 20.879 17.308 1.00 0.00 C
ATOM 112 CME 0SA X 5 27.624 20.445 17.242 1.00 0.00 C
ATOM 113 H3M 0SA X 5 28.189 20.876 18.062 1.00 0.00 H
ATOM 114 H2M 0SA X 5 27.959 20.900 16.307 1.00 0.00 H
ATOM 115 H1M 0SA X 5 27.755 19.371 17.142 1.00 0.00 H
ATOM 116 O5N 0SA X 5 25.502 21.197 16.342 1.00 0.00 O
ATOM 117 O4 0SA X 5 25.497 23.429 20.048 1.00 0.00 O
ATOM 118 H4O 0SA X 5 26.383 23.103 20.241 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 2
ATOM 1 HO1 ROH X 1 25.263 18.655 33.251 1.00 0.00 H
ATOM 2 O1 ROH X 1 25.964 18.762 32.599 1.00 0.00 O
ATOM 3 C1 4GA X 2 25.804 19.958 31.816 1.00 0.00 C
ATOM 4 H1 4GA X 2 25.752 20.795 32.510 1.00 0.00 H
ATOM 5 C2 4GA X 2 26.910 20.111 30.670 1.00 0.00 C
ATOM 6 H2 4GA X 2 27.056 19.147 30.180 1.00 0.00 H
ATOM 7 O2 4GA X 2 28.221 20.400 31.312 1.00 0.00 O
ATOM 8 H2O 4GA X 2 28.918 20.264 30.668 1.00 0.00 H
ATOM 9 C3 4GA X 2 26.545 21.163 29.582 1.00 0.00 C
ATOM 10 H3 4GA X 2 26.689 22.096 30.134 1.00 0.00 H
ATOM 11 O3 4GA X 2 27.448 21.148 28.421 1.00 0.00 O
ATOM 12 H3O 4GA X 2 26.964 21.619 27.741 1.00 0.00 H
ATOM 13 C4 4GA X 2 25.112 21.062 29.058 1.00 0.00 C
ATOM 14 H4 4GA X 2 24.997 20.150 28.464 1.00 0.00 H
ATOM 15 C5 4GA X 2 24.241 21.006 30.339 1.00 0.00 C
ATOM 16 H5 4GA X 2 24.361 21.883 30.979 1.00 0.00 H
ATOM 17 C6 4GA X 2 22.702 21.011 29.927 1.00 0.00 C
ATOM 18 H62 4GA X 2 22.130 20.865 30.844 1.00 0.00 H
ATOM 19 H61 4GA X 2 22.335 21.930 29.478 1.00 0.00 H
ATOM 20 O6 4GA X 2 22.463 19.872 29.129 1.00 0.00 O
ATOM 21 H6O 4GA X 2 22.258 19.114 29.696 1.00 0.00 H
ATOM 22 O5 4GA X 2 24.521 19.802 31.211 1.00 0.00 O
ATOM 23 O4 4GA X 2 24.902 22.300 28.375 1.00 0.00 O
ATOM 24 C1 3LB X 3 24.509 22.303 26.967 1.00 0.00 C
ATOM 25 H1 3LB X 3 23.920 21.404 26.789 1.00 0.00 H
ATOM 26 O5 3LB X 3 25.737 22.271 26.135 1.00 0.00 O
ATOM 27 C5 3LB X 3 25.871 22.792 24.730 1.00 0.00 C
ATOM 28 H5 3LB X 3 25.308 22.104 24.091 1.00 0.00 H
ATOM 29 C6 3LB X 3 27.316 22.827 24.339 1.00 0.00 C
ATOM 30 H62 3LB X 3 27.870 21.955 24.687 1.00 0.00 H
ATOM 31 H61 3LB X 3 27.788 23.657 24.864 1.00 0.00 H
ATOM 32 O6 3LB X 3 27.379 23.093 22.903 1.00 0.00 O
ATOM 33 H6O 3LB X 3 26.999 23.966 22.739 1.00 0.00 H
ATOM 34 C4 3LB X 3 25.036 24.141 24.571 1.00 0.00 C
ATOM 35 H4 3LB X 3 24.922 24.401 23.525 1.00 0.00 H
ATOM 36 O4 3LB X 3 25.620 25.259 25.235 1.00 0.00 O
ATOM 37 H4O 3LB X 3 25.111 26.032 24.956 1.00 0.00 H
ATOM 38 C3 3LB X 3 23.637 23.872 25.189 1.00 0.00 C
ATOM 39 H3 3LB X 3 22.999 23.154 24.669 1.00 0.00 H
ATOM 40 C2 3LB X 3 23.658 23.488 26.629 1.00 0.00 C
ATOM 41 H2 3LB X 3 24.097 24.386 27.058 1.00 0.00 H
ATOM 42 O2 3LB X 3 22.260 23.378 27.182 1.00 0.00 O
ATOM 43 H2O 3LB X 3 21.825 24.189 26.928 1.00 0.00 H
ATOM 44 O3 3LB X 3 22.855 25.184 25.001 1.00 0.00 O
ATOM 45 C2 8GL X 4 21.831 25.301 24.040 1.00 0.00 C
ATOM 46 C1 8GL X 4 21.788 26.780 23.503 1.00 0.00 C
ATOM 47 O1A 8GL X 4 22.781 27.255 22.866 1.00 0.00 O
ATOM 48 O1B 8GL X 4 20.700 27.438 23.399 1.00 0.00 O
ATOM 49 C3 8GL X 4 20.508 24.946 24.755 1.00 0.00 C
ATOM 50 H3E 8GL X 4 20.271 25.759 25.442 1.00 0.00 H
ATOM 51 H3A 8GL X 4 20.719 24.127 25.441 1.00 0.00 H
ATOM 52 C4 8GL X 4 19.276 24.600 23.842 1.00 0.00 C
ATOM 53 H4 8GL X 4 18.737 25.477 23.475 1.00 0.00 H
ATOM 54 O4 8GL X 4 18.273 24.008 24.692 1.00 0.00 O
ATOM 55 H4O 8GL X 4 17.892 24.748 25.166 1.00 0.00 H
ATOM 56 C5 8GL X 4 19.637 23.770 22.599 1.00 0.00 C
ATOM 57 H5 8GL X 4 19.707 22.759 23.005 1.00 0.00 H
ATOM 58 N5 8GL X 4 18.556 23.711 21.582 1.00 0.00 N
ATOM 59 H5N 8GL X 4 18.249 24.643 21.322 1.00 0.00 H
ATOM 60 C5N 8GL X 4 17.680 22.701 21.362 1.00 0.00 C
ATOM 61 CME 8GL X 4 16.543 22.792 20.329 1.00 0.00 C
ATOM 62 H2M 8GL X 4 16.967 22.872 19.334 1.00 0.00 H
ATOM 63 H1M 8GL X 4 16.083 23.751 20.574 1.00 0.00 H
ATOM 64 OHG 8GL X 4 15.483 21.748 20.422 1.00 0.00 O
ATOM 65 HOG 8GL X 4 14.764 22.080 20.962 1.00 0.00 H
ATOM 66 O5N 8GL X 4 17.806 21.697 22.063 1.00 0.00 O
ATOM 67 C6 8GL X 4 21.047 24.030 21.981 1.00 0.00 C
ATOM 68 H6 8GL X 4 20.963 24.953 21.399 1.00 0.00 H
ATOM 69 O6 8GL X 4 22.022 24.423 22.949 1.00 0.00 O
ATOM 70 C7 8GL X 4 21.560 22.934 21.108 1.00 0.00 C
ATOM 71 H7 8GL X 4 20.802 22.577 20.409 1.00 0.00 H
ATOM 72 O7 8GL X 4 21.785 21.858 22.053 1.00 0.00 O
ATOM 73 H7O 8GL X 4 21.667 21.004 21.620 1.00 0.00 H
ATOM 74 C8 8GL X 4 22.863 23.196 20.232 1.00 0.00 C
ATOM 75 H8 8GL X 4 22.515 23.919 19.500 1.00 0.00 H
ATOM 76 C9 8GL X 4 24.143 23.784 20.938 1.00 0.00 C
ATOM 77 H9S 8GL X 4 23.834 24.707 21.424 1.00 0.00 H
ATOM 78 H9R 8GL X 4 24.425 23.053 21.698 1.00 0.00 H
ATOM 79 O9 8GL X 4 25.156 24.045 20.058 1.00 0.00 O
ATOM 80 H9O 8GL X 4 25.413 23.263 19.568 1.00 0.00 H
ATOM 81 O8 8GL X 4 23.282 21.861 19.641 1.00 0.00 O
ATOM 82 C2 0SA X 5 22.324 21.131 18.860 1.00 0.00 C
ATOM 83 C1 0SA X 5 21.249 20.159 19.684 1.00 0.00 C
ATOM 84 O1A 0SA X 5 21.503 19.592 20.756 1.00 0.00 O
ATOM 85 O1B 0SA X 5 20.152 20.038 19.178 1.00 0.00 O
ATOM 86 C3 0SA X 5 23.133 20.252 17.878 1.00 0.00 C
ATOM 87 H3E 0SA X 5 23.414 19.323 18.387 1.00 0.00 H
ATOM 88 H3A 0SA X 5 23.994 20.720 17.406 1.00 0.00 H
ATOM 89 C4 0SA X 5 22.228 19.760 16.704 1.00 0.00 C
ATOM 90 H4 0SA X 5 21.340 19.225 17.053 1.00 0.00 H
ATOM 91 C5 0SA X 5 21.619 20.921 15.873 1.00 0.00 C
ATOM 92 H5 0SA X 5 22.467 21.457 15.447 1.00 0.00 H
ATOM 93 C6 0SA X 5 20.855 21.785 16.889 1.00 0.00 C
ATOM 94 H6 0SA X 5 19.925 21.256 17.123 1.00 0.00 H
ATOM 95 C7 0SA X 5 20.354 23.165 16.303 1.00 0.00 C
ATOM 96 H7 0SA X 5 19.921 22.944 15.322 1.00 0.00 H
ATOM 97 C8 0SA X 5 19.308 23.922 17.197 1.00 0.00 C
ATOM 98 H8 0SA X 5 19.768 23.903 18.185 1.00 0.00 H
ATOM 99 C9 0SA X 5 18.830 25.214 16.683 1.00 0.00 C
ATOM 100 H9S 0SA X 5 19.615 25.774 16.170 1.00 0.00 H
ATOM 101 H9R 0SA X 5 18.086 25.026 15.922 1.00 0.00 H
ATOM 102 O9 0SA X 5 18.243 26.206 17.706 1.00 0.00 O
ATOM 103 H9O 0SA X 5 17.561 26.802 17.404 1.00 0.00 H
ATOM 104 O8 0SA X 5 18.161 23.076 17.184 1.00 0.00 O
ATOM 105 H8O 0SA X 5 17.594 23.542 16.571 1.00 0.00 H
ATOM 106 O7 0SA X 5 21.549 24.034 16.012 1.00 0.00 O
ATOM 107 H7O 0SA X 5 22.003 23.697 15.245 1.00 0.00 H
ATOM 108 O6 0SA X 5 21.753 22.114 17.969 1.00 0.00 O
ATOM 109 N5 0SA X 5 20.750 20.373 14.858 1.00 0.00 N
ATOM 110 H5N 0SA X 5 19.954 19.906 15.281 1.00 0.00 H
ATOM 111 C5N 0SA X 5 21.048 20.258 13.567 1.00 0.00 C
ATOM 112 CME 0SA X 5 20.002 19.683 12.711 1.00 0.00 C
ATOM 113 H3M 0SA X 5 19.895 20.344 11.855 1.00 0.00 H
ATOM 114 H2M 0SA X 5 18.970 19.617 13.072 1.00 0.00 H
ATOM 115 H1M 0SA X 5 20.256 18.689 12.341 1.00 0.00 H
ATOM 116 O5N 0SA X 5 22.088 20.710 13.091 1.00 0.00 O
ATOM 117 O4 0SA X 5 23.009 18.882 15.882 1.00 0.00 O
ATOM 118 H4O 0SA X 5 23.758 19.394 15.562 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 3
ATOM 1 HO1 ROH X 1 29.153 20.938 26.798 1.00 0.00 H
ATOM 2 O1 ROH X 1 29.686 21.464 26.200 1.00 0.00 O
ATOM 3 C1 4GA X 2 28.636 21.962 27.063 1.00 0.00 C
ATOM 4 H1 4GA X 2 29.086 22.110 28.045 1.00 0.00 H
ATOM 5 C2 4GA X 2 28.079 23.284 26.496 1.00 0.00 C
ATOM 6 H2 4GA X 2 28.923 23.943 26.255 1.00 0.00 H
ATOM 7 O2 4GA X 2 27.163 24.060 27.377 1.00 0.00 O
ATOM 8 H2O 4GA X 2 27.595 24.188 28.225 1.00 0.00 H
ATOM 9 C3 4GA X 2 27.329 23.015 25.163 1.00 0.00 C
ATOM 10 H3 4GA X 2 26.762 23.910 24.896 1.00 0.00 H
ATOM 11 O3 4GA X 2 28.217 22.616 24.070 1.00 0.00 O
ATOM 12 H3O 4GA X 2 27.918 22.901 23.204 1.00 0.00 H
ATOM 13 C4 4GA X 2 26.290 21.887 25.258 1.00 0.00 C
ATOM 14 H4 4GA X 2 26.038 21.541 24.266 1.00 0.00 H
ATOM 15 C5 4GA X 2 26.779 20.664 26.024 1.00 0.00 C
ATOM 16 H5 4GA X 2 25.849 20.240 26.401 1.00 0.00 H
ATOM 17 C6 4GA X 2 27.406 19.504 25.096 1.00 0.00 C
ATOM 18 H62 4GA X 2 27.095 19.471 24.048 1.00 0.00 H
ATOM 19 H61 4GA X 2 28.478 19.625 24.944 1.00 0.00 H
ATOM 20 O6 4GA X 2 27.172 18.164 25.514 1.00 0.00 O
ATOM 21 H6O 4GA X 2 27.718 17.991 26.288 1.00 0.00 H
ATOM 22 O5 4GA X 2 27.590 20.944 27.252 1.00 0.00 O
ATOM 23 O4 4GA X 2 24.999 22.418 25.858 1.00 0.00 O
ATOM 24 C1 3LB X 3 24.002 22.815 24.790 1.00 0.00 C
ATOM 25 H1 3LB X 3 24.236 22.378 23.820 1.00 0.00 H
ATOM 26 O5 3LB X 3 24.050 24.283 24.652 1.00 0.00 O
ATOM 27 C5 3LB X 3 22.832 24.925 24.073 1.00 0.00 C
ATOM 28 H5 3LB X 3 22.814 24.646 23.021 1.00 0.00 H
ATOM 29 C6 3LB X 3 23.030 26.453 24.017 1.00 0.00 C
ATOM 30 H62 3LB X 3 22.228 26.960 23.493 1.00 0.00 H
ATOM 31 H61 3LB X 3 23.882 26.469 23.334 1.00 0.00 H
ATOM 32 O6 3LB X 3 23.563 27.121 25.202 1.00 0.00 O
ATOM 33 H6O 3LB X 3 24.257 27.713 24.894 1.00 0.00 H
ATOM 34 C4 3LB X 3 21.554 24.532 24.748 1.00 0.00 C
ATOM 35 H4 3LB X 3 20.773 25.029 24.171 1.00 0.00 H
ATOM 36 O4 3LB X 3 21.550 24.831 26.142 1.00 0.00 O
ATOM 37 H4O 3LB X 3 20.708 24.584 26.532 1.00 0.00 H
ATOM 38 C3 3LB X 3 21.392 22.985 24.717 1.00 0.00 C
ATOM 39 H3 3LB X 3 21.467 22.696 23.668 1.00 0.00 H
ATOM 40 C2 3LB X 3 22.619 22.331 25.370 1.00 0.00 C
ATOM 41 H2 3LB X 3 22.549 22.558 26.438 1.00 0.00 H
ATOM 42 O2 3LB X 3 22.443 20.906 25.236 1.00 0.00 O
ATOM 43 H2O 3LB X 3 21.623 20.550 25.584 1.00 0.00 H
ATOM 44 O3 3LB X 3 20.135 22.476 25.288 1.00 0.00 O
ATOM 45 C2 8GL X 4 18.931 22.513 24.485 1.00 0.00 C
ATOM 46 C1 8GL X 4 18.364 24.063 24.462 1.00 0.00 C
ATOM 47 O1A 8GL X 4 18.448 24.648 23.333 1.00 0.00 O
ATOM 48 O1B 8GL X 4 17.890 24.586 25.529 1.00 0.00 O
ATOM 49 C3 8GL X 4 17.909 21.581 25.123 1.00 0.00 C
ATOM 50 H3E 8GL X 4 17.657 21.977 26.106 1.00 0.00 H
ATOM 51 H3A 8GL X 4 18.456 20.669 25.356 1.00 0.00 H
ATOM 52 C4 8GL X 4 16.694 21.275 24.185 1.00 0.00 C
ATOM 53 H4 8GL X 4 16.096 22.178 24.077 1.00 0.00 H
ATOM 54 O4 8GL X 4 15.851 20.383 24.932 1.00 0.00 O
ATOM 55 H4O 8GL X 4 14.917 20.383 24.699 1.00 0.00 H
ATOM 56 C5 8GL X 4 16.936 20.772 22.728 1.00 0.00 C
ATOM 57 H5 8GL X 4 17.371 19.775 22.730 1.00 0.00 H
ATOM 58 N5 8GL X 4 15.828 20.856 21.785 1.00 0.00 N
ATOM 59 H5N 8GL X 4 15.596 21.832 21.640 1.00 0.00 H
ATOM 60 C5N 8GL X 4 15.022 19.846 21.461 1.00 0.00 C
ATOM 61 CME 8GL X 4 13.917 20.124 20.356 1.00 0.00 C
ATOM 62 H2M 8GL X 4 14.379 20.328 19.386 1.00 0.00 H
ATOM 63 H1M 8GL X 4 13.315 21.014 20.524 1.00 0.00 H
ATOM 64 OHG 8GL X 4 12.886 19.103 20.186 1.00 0.00 O
ATOM 65 HOG 8GL X 4 12.350 19.113 20.973 1.00 0.00 H
ATOM 66 O5N 8GL X 4 15.180 18.704 21.969 1.00 0.00 O
ATOM 67 C6 8GL X 4 18.067 21.737 22.259 1.00 0.00 C
ATOM 68 H6 8GL X 4 17.622 22.719 22.110 1.00 0.00 H
ATOM 69 O6 8GL X 4 19.141 21.892 23.204 1.00 0.00 O
ATOM 70 C7 8GL X 4 18.647 21.399 20.870 1.00 0.00 C
ATOM 71 H7 8GL X 4 17.808 21.285 20.184 1.00 0.00 H
ATOM 72 O7 8GL X 4 19.258 20.044 21.051 1.00 0.00 O
ATOM 73 H7O 8GL X 4 19.868 19.898 20.328 1.00 0.00 H
ATOM 74 C8 8GL X 4 19.594 22.362 20.161 1.00 0.00 C
ATOM 75 H8 8GL X 4 19.706 21.980 19.150 1.00 0.00 H
ATOM 76 C9 8GL X 4 19.021 23.799 20.116 1.00 0.00 C
ATOM 77 H9S 8GL X 4 17.968 23.704 19.857 1.00 0.00 H
ATOM 78 H9R 8GL X 4 19.236 24.209 21.107 1.00 0.00 H
ATOM 79 O9 8GL X 4 19.805 24.615 19.178 1.00 0.00 O
ATOM 80 H9O 8GL X 4 20.056 24.092 18.416 1.00 0.00 H
ATOM 81 O8 8GL X 4 20.950 22.273 20.832 1.00 0.00 O
ATOM 82 C2 0SA X 5 22.099 21.902 20.054 1.00 0.00 C
ATOM 83 C1 0SA X 5 21.901 20.682 18.904 1.00 0.00 C
ATOM 84 O1A 0SA X 5 22.505 20.761 17.837 1.00 0.00 O
ATOM 85 O1B 0SA X 5 21.148 19.670 19.158 1.00 0.00 O
ATOM 86 C3 0SA X 5 23.011 21.283 21.177 1.00 0.00 C
ATOM 87 H3E 0SA X 5 22.661 20.261 21.337 1.00 0.00 H
ATOM 88 H3A 0SA X 5 22.865 21.738 22.158 1.00 0.00 H
ATOM 89 C4 0SA X 5 24.464 21.225 20.749 1.00 0.00 C
ATOM 90 H4 0SA X 5 24.519 20.549 19.890 1.00 0.00 H
ATOM 91 C5 0SA X 5 25.018 22.586 20.313 1.00 0.00 C
ATOM 92 H5 0SA X 5 24.947 23.293 21.137 1.00 0.00 H
ATOM 93 C6 0SA X 5 24.125 23.146 19.217 1.00 0.00 C
ATOM 94 H6 0SA X 5 24.351 22.628 18.287 1.00 0.00 H
ATOM 95 C7 0SA X 5 24.437 24.615 18.823 1.00 0.00 C
ATOM 96 H7 0SA X 5 25.453 24.711 18.457 1.00 0.00 H
ATOM 97 C8 0SA X 5 23.520 25.149 17.721 1.00 0.00 C
ATOM 98 H8 0SA X 5 22.509 25.008 18.109 1.00 0.00 H
ATOM 99 C9 0SA X 5 23.736 26.672 17.384 1.00 0.00 C
ATOM 100 H9S 0SA X 5 23.751 27.368 18.222 1.00 0.00 H
ATOM 101 H9R 0SA X 5 24.729 26.765 16.945 1.00 0.00 H
ATOM 102 O9 0SA X 5 22.810 27.111 16.408 1.00 0.00 O
ATOM 103 H9O 0SA X 5 23.219 27.150 15.537 1.00 0.00 H
ATOM 104 O8 0SA X 5 23.628 24.311 16.517 1.00 0.00 O
ATOM 105 H8O 0SA X 5 22.876 24.529 15.968 1.00 0.00 H
ATOM 106 O7 0SA X 5 24.332 25.460 19.991 1.00 0.00 O
ATOM 107 H7O 0SA X 5 23.471 25.316 20.367 1.00 0.00 H
ATOM 108 O6 0SA X 5 22.739 23.115 19.610 1.00 0.00 O
ATOM 109 N5 0SA X 5 26.353 22.373 19.721 1.00 0.00 N
ATOM 110 H5N 0SA X 5 26.508 21.809 18.904 1.00 0.00 H
ATOM 111 C5N 0SA X 5 27.488 22.734 20.366 1.00 0.00 C
ATOM 112 CME 0SA X 5 28.759 22.397 19.631 1.00 0.00 C
ATOM 113 H3M 0SA X 5 28.703 21.473 19.044 1.00 0.00 H
ATOM 114 H2M 0SA X 5 29.614 22.215 20.291 1.00 0.00 H
ATOM 115 H1M 0SA X 5 29.056 23.219 18.981 1.00 0.00 H
ATOM 116 O5N 0SA X 5 27.420 23.261 21.468 1.00 0.00 O
ATOM 117 O4 0SA X 5 25.238 20.682 21.857 1.00 0.00 O
ATOM 118 H4O 0SA X 5 26.144 20.567 21.566 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 4
ATOM 1 HO1 ROH X 1 30.226 21.143 27.218 1.00 0.00 H
ATOM 2 O1 ROH X 1 30.158 21.887 27.819 1.00 0.00 O
ATOM 3 C1 4GA X 2 28.693 21.954 27.797 1.00 0.00 C
ATOM 4 H1 4GA X 2 28.338 21.076 28.345 1.00 0.00 H
ATOM 5 C2 4GA X 2 28.174 23.337 28.467 1.00 0.00 C
ATOM 6 H2 4GA X 2 28.529 24.188 27.903 1.00 0.00 H
ATOM 7 O2 4GA X 2 28.704 23.446 29.770 1.00 0.00 O
ATOM 8 H2O 4GA X 2 28.582 24.283 30.215 1.00 0.00 H
ATOM 9 C3 4GA X 2 26.665 23.400 28.320 1.00 0.00 C
ATOM 10 H3 4GA X 2 26.206 22.610 28.907 1.00 0.00 H
ATOM 11 O3 4GA X 2 26.172 24.715 28.815 1.00 0.00 O
ATOM 12 H3O 4GA X 2 26.662 25.025 29.585 1.00 0.00 H
ATOM 13 C4 4GA X 2 26.276 23.235 26.769 1.00 0.00 C
ATOM 14 H4 4GA X 2 26.407 24.168 26.214 1.00 0.00 H
ATOM 15 C5 4GA X 2 26.905 22.052 26.031 1.00 0.00 C
ATOM 16 H5 4GA X 2 26.360 21.232 26.515 1.00 0.00 H
ATOM 17 C6 4GA X 2 26.758 21.973 24.551 1.00 0.00 C
ATOM 18 H62 4GA X 2 27.266 21.120 24.087 1.00 0.00 H
ATOM 19 H61 4GA X 2 25.710 21.696 24.431 1.00 0.00 H
ATOM 20 O6 4GA X 2 26.964 23.249 23.879 1.00 0.00 O
ATOM 21 H6O 4GA X 2 26.392 23.312 23.115 1.00 0.00 H
ATOM 22 O5 4GA X 2 28.307 21.914 26.426 1.00 0.00 O
ATOM 23 O4 4GA X 2 24.825 22.964 26.867 1.00 0.00 O
ATOM 24 C1 3LB X 3 23.907 23.518 25.811 1.00 0.00 C
ATOM 25 H1 3LB X 3 24.217 23.247 24.791 1.00 0.00 H
ATOM 26 O5 3LB X 3 23.958 24.983 26.016 1.00 0.00 O
ATOM 27 C5 3LB X 3 22.816 25.817 25.692 1.00 0.00 C
ATOM 28 H5 3LB X 3 22.850 25.900 24.601 1.00 0.00 H
ATOM 29 C6 3LB X 3 23.055 27.268 26.117 1.00 0.00 C
ATOM 30 H62 3LB X 3 22.130 27.837 26.083 1.00 0.00 H
ATOM 31 H61 3LB X 3 23.842 27.693 25.499 1.00 0.00 H
ATOM 32 O6 3LB X 3 23.514 27.250 27.484 1.00 0.00 O
ATOM 33 H6O 3LB X 3 23.125 26.473 27.883 1.00 0.00 H
ATOM 34 C4 3LB X 3 21.408 25.283 26.189 1.00 0.00 C
ATOM 35 H4 3LB X 3 20.607 25.883 25.760 1.00 0.00 H
ATOM 36 O4 3LB X 3 21.340 25.378 27.674 1.00 0.00 O
ATOM 37 H4O 3LB X 3 20.431 25.235 27.946 1.00 0.00 H
ATOM 38 C3 3LB X 3 21.302 23.856 25.637 1.00 0.00 C
ATOM 39 H3 3LB X 3 21.405 23.942 24.564 1.00 0.00 H
ATOM 40 C2 3LB X 3 22.446 22.978 26.150 1.00 0.00 C
ATOM 41 H2 3LB X 3 22.315 22.682 27.190 1.00 0.00 H
ATOM 42 O2 3LB X 3 22.338 21.734 25.427 1.00 0.00 O
ATOM 43 H2O 3LB X 3 21.404 21.530 25.527 1.00 0.00 H
ATOM 44 O3 3LB X 3 19.940 23.332 26.002 1.00 0.00 O
ATOM 45 C2 8GL X 4 19.130 23.177 24.767 1.00 0.00 C
ATOM 46 C1 8GL X 4 18.577 24.552 23.990 1.00 0.00 C
ATOM 47 O1A 8GL X 4 18.122 25.480 24.737 1.00 0.00 O
ATOM 48 O1B 8GL X 4 18.633 24.555 22.712 1.00 0.00 O
ATOM 49 C3 8GL X 4 17.883 22.360 25.271 1.00 0.00 C
ATOM 50 H3E 8GL X 4 17.307 23.055 25.885 1.00 0.00 H
ATOM 51 H3A 8GL X 4 18.206 21.502 25.873 1.00 0.00 H
ATOM 52 C4 8GL X 4 17.004 21.796 24.180 1.00 0.00 C
ATOM 53 H4 8GL X 4 16.661 22.645 23.591 1.00 0.00 H
ATOM 54 O4 8GL X 4 15.838 21.194 24.873 1.00 0.00 O
ATOM 55 H4O 8GL X 4 16.011 20.456 25.455 1.00 0.00 H
ATOM 56 C5 8GL X 4 17.789 20.782 23.339 1.00 0.00 C
ATOM 57 H5 8GL X 4 18.122 19.929 23.918 1.00 0.00 H
ATOM 58 N5 8GL X 4 16.957 20.283 22.167 1.00 0.00 N
ATOM 59 H5N 8GL X 4 16.659 20.876 21.406 1.00 0.00 H
ATOM 60 C5N 8GL X 4 16.414 19.065 22.057 1.00 0.00 C
ATOM 61 CME 8GL X 4 15.667 18.818 20.729 1.00 0.00 C
ATOM 62 H2M 8GL X 4 16.232 19.393 19.985 1.00 0.00 H
ATOM 63 H1M 8GL X 4 14.668 19.238 20.847 1.00 0.00 H
ATOM 64 OHG 8GL X 4 15.537 17.485 20.252 1.00 0.00 O
ATOM 65 HOG 8GL X 4 16.398 17.253 19.908 1.00 0.00 H
ATOM 66 O5N 8GL X 4 16.464 18.282 22.997 1.00 0.00 O
ATOM 67 C6 8GL X 4 19.030 21.492 22.795 1.00 0.00 C
ATOM 68 H6 8GL X 4 18.741 22.203 22.014 1.00 0.00 H
ATOM 69 O6 8GL X 4 19.766 22.223 23.802 1.00 0.00 O
ATOM 70 C7 8GL X 4 19.967 20.526 22.068 1.00 0.00 C
ATOM 71 H7 8GL X 4 19.383 20.111 21.245 1.00 0.00 H
ATOM 72 O7 8GL X 4 20.582 19.527 23.028 1.00 0.00 O
ATOM 73 H7O 8GL X 4 21.545 19.618 23.026 1.00 0.00 H
ATOM 74 C8 8GL X 4 21.064 21.236 21.190 1.00 0.00 C
ATOM 75 H8 8GL X 4 20.575 22.116 20.782 1.00 0.00 H
ATOM 76 C9 8GL X 4 22.384 21.825 21.894 1.00 0.00 C
ATOM 77 H9S 8GL X 4 23.057 22.264 21.167 1.00 0.00 H
ATOM 78 H9R 8GL X 4 22.061 22.498 22.691 1.00 0.00 H
ATOM 79 O9 8GL X 4 23.065 20.729 22.627 1.00 0.00 O
ATOM 80 H9O 8GL X 4 22.925 20.960 23.551 1.00 0.00 H
ATOM 81 O8 8GL X 4 21.478 20.259 20.089 1.00 0.00 O
ATOM 82 C2 0SA X 5 21.529 20.840 18.756 1.00 0.00 C
ATOM 83 C1 0SA X 5 19.957 21.032 18.128 1.00 0.00 C
ATOM 84 O1A 0SA X 5 19.649 22.041 17.447 1.00 0.00 O
ATOM 85 O1B 0SA X 5 19.129 20.151 18.449 1.00 0.00 O
ATOM 86 C3 0SA X 5 22.297 19.759 17.927 1.00 0.00 C
ATOM 87 H3E 0SA X 5 21.676 18.909 17.663 1.00 0.00 H
ATOM 88 H3A 0SA X 5 23.128 19.314 18.493 1.00 0.00 H
ATOM 89 C4 0SA X 5 22.733 20.242 16.528 1.00 0.00 C
ATOM 90 H4 0SA X 5 21.906 20.570 15.898 1.00 0.00 H
ATOM 91 C5 0SA X 5 23.805 21.408 16.749 1.00 0.00 C
ATOM 92 H5 0SA X 5 24.629 20.982 17.320 1.00 0.00 H
ATOM 93 C6 0SA X 5 23.088 22.549 17.518 1.00 0.00 C
ATOM 94 H6 0SA X 5 22.374 22.949 16.806 1.00 0.00 H
ATOM 95 C7 0SA X 5 24.049 23.755 17.947 1.00 0.00 C
ATOM 96 H7 0SA X 5 24.406 24.336 17.102 1.00 0.00 H
ATOM 97 C8 0SA X 5 23.169 24.792 18.750 1.00 0.00 C
ATOM 98 H8 0SA X 5 22.635 24.370 19.598 1.00 0.00 H
ATOM 99 C9 0SA X 5 23.941 26.014 19.323 1.00 0.00 C
ATOM 100 H9S 0SA X 5 23.155 26.676 19.672 1.00 0.00 H
ATOM 101 H9R 0SA X 5 24.455 25.717 20.231 1.00 0.00 H
ATOM 102 O9 0SA X 5 24.833 26.715 18.392 1.00 0.00 O
ATOM 103 H9O 0SA X 5 25.487 27.240 18.857 1.00 0.00 H
ATOM 104 O8 0SA X 5 22.132 25.267 17.806 1.00 0.00 O
ATOM 105 H8O 0SA X 5 21.614 25.905 18.303 1.00 0.00 H
ATOM 106 O7 0SA X 5 25.177 23.132 18.678 1.00 0.00 O
ATOM 107 H7O 0SA X 5 25.940 23.204 18.100 1.00 0.00 H
ATOM 108 O6 0SA X 5 22.446 22.015 18.742 1.00 0.00 O
ATOM 109 N5 0SA X 5 24.354 21.866 15.438 1.00 0.00 N
ATOM 110 H5N 0SA X 5 23.618 22.034 14.768 1.00 0.00 H
ATOM 111 C5N 0SA X 5 25.627 22.280 15.154 1.00 0.00 C
ATOM 112 CME 0SA X 5 25.964 22.889 13.779 1.00 0.00 C
ATOM 113 H3M 0SA X 5 25.106 23.164 13.165 1.00 0.00 H
ATOM 114 H2M 0SA X 5 26.683 22.264 13.243 1.00 0.00 H
ATOM 115 H1M 0SA X 5 26.436 23.843 13.999 1.00 0.00 H
ATOM 116 O5N 0SA X 5 26.431 22.271 16.078 1.00 0.00 O
ATOM 117 O4 0SA X 5 23.300 19.162 15.854 1.00 0.00 O
ATOM 118 H4O 0SA X 5 22.627 18.545 15.573 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 5
ATOM 1 HO1 ROH X 1 27.753 24.014 30.566 1.00 0.00 H
ATOM 2 O1 ROH X 1 28.617 24.073 30.145 1.00 0.00 O
ATOM 3 C1 4GA X 2 27.399 24.757 30.224 1.00 0.00 C
ATOM 4 H1 4GA X 2 27.452 25.460 31.054 1.00 0.00 H
ATOM 5 C2 4GA X 2 26.928 25.507 28.914 1.00 0.00 C
ATOM 6 H2 4GA X 2 27.770 26.165 28.669 1.00 0.00 H
ATOM 7 O2 4GA X 2 25.706 26.251 29.127 1.00 0.00 O
ATOM 8 H2O 4GA X 2 26.060 27.044 29.524 1.00 0.00 H
ATOM 9 C3 4GA X 2 26.650 24.361 27.842 1.00 0.00 C
ATOM 10 H3 4GA X 2 26.201 24.789 26.947 1.00 0.00 H
ATOM 11 O3 4GA X 2 27.907 23.942 27.398 1.00 0.00 O
ATOM 12 H3O 4GA X 2 28.154 24.327 26.551 1.00 0.00 H
ATOM 13 C4 4GA X 2 25.839 23.124 28.345 1.00 0.00 C
ATOM 14 H4 4GA X 2 26.143 22.253 27.763 1.00 0.00 H
ATOM 15 C5 4GA X 2 26.015 22.734 29.838 1.00 0.00 C
ATOM 16 H5 4GA X 2 25.018 22.410 30.122 1.00 0.00 H
ATOM 17 C6 4GA X 2 26.920 21.494 30.212 1.00 0.00 C
ATOM 18 H62 4GA X 2 26.472 20.697 29.632 1.00 0.00 H
ATOM 19 H61 4GA X 2 27.902 21.812 29.863 1.00 0.00 H
ATOM 20 O6 4GA X 2 26.954 21.189 31.628 1.00 0.00 O
ATOM 21 H6O 4GA X 2 27.650 21.731 32.025 1.00 0.00 H
ATOM 22 O5 4GA X 2 26.383 23.856 30.763 1.00 0.00 O
ATOM 23 O4 4GA X 2 24.345 23.339 28.102 1.00 0.00 O
ATOM 24 C1 3LB X 3 23.761 23.032 26.727 1.00 0.00 C
ATOM 25 H1 3LB X 3 24.107 22.062 26.383 1.00 0.00 H
ATOM 26 O5 3LB X 3 24.073 24.159 25.781 1.00 0.00 O
ATOM 27 C5 3LB X 3 23.513 24.105 24.407 1.00 0.00 C
ATOM 28 H5 3LB X 3 23.940 23.244 23.897 1.00 0.00 H
ATOM 29 C6 3LB X 3 23.922 25.402 23.573 1.00 0.00 C
ATOM 30 H62 3LB X 3 23.304 25.549 22.687 1.00 0.00 H
ATOM 31 H61 3LB X 3 24.957 25.496 23.220 1.00 0.00 H
ATOM 32 O6 3LB X 3 23.750 26.585 24.356 1.00 0.00 O
ATOM 33 H6O 3LB X 3 23.391 26.287 25.200 1.00 0.00 H
ATOM 34 C4 3LB X 3 22.006 23.957 24.465 1.00 0.00 C
ATOM 35 H4 3LB X 3 21.709 23.675 23.456 1.00 0.00 H
ATOM 36 O4 3LB X 3 21.344 25.185 24.867 1.00 0.00 O
ATOM 37 H4O 3LB X 3 21.064 25.594 24.042 1.00 0.00 H
ATOM 38 C3 3LB X 3 21.563 22.828 25.448 1.00 0.00 C
ATOM 39 H3 3LB X 3 21.903 21.922 24.954 1.00 0.00 H
ATOM 40 C2 3LB X 3 22.224 22.873 26.849 1.00 0.00 C
ATOM 41 H2 3LB X 3 21.819 23.656 27.504 1.00 0.00 H
ATOM 42 O2 3LB X 3 21.931 21.613 27.553 1.00 0.00 O
ATOM 43 H2O 3LB X 3 22.077 21.720 28.492 1.00 0.00 H
ATOM 44 O3 3LB X 3 20.037 22.768 25.526 1.00 0.00 O
ATOM 45 C2 8GL X 4 19.282 22.683 24.235 1.00 0.00 C
ATOM 46 C1 8GL X 4 18.874 24.121 23.493 1.00 0.00 C
ATOM 47 O1A 8GL X 4 18.063 24.984 23.946 1.00 0.00 O
ATOM 48 O1B 8GL X 4 19.330 24.411 22.373 1.00 0.00 O
ATOM 49 C3 8GL X 4 18.020 21.908 24.765 1.00 0.00 C
ATOM 50 H3E 8GL X 4 17.439 22.487 25.482 1.00 0.00 H
ATOM 51 H3A 8GL X 4 18.303 21.021 25.323 1.00 0.00 H
ATOM 52 C4 8GL X 4 17.128 21.517 23.598 1.00 0.00 C
ATOM 53 H4 8GL X 4 16.800 22.437 23.106 1.00 0.00 H
ATOM 54 O4 8GL X 4 15.923 20.836 24.149 1.00 0.00 O
ATOM 55 H4O 8GL X 4 15.677 21.186 25.009 1.00 0.00 H
ATOM 56 C5 8GL X 4 17.940 20.601 22.655 1.00 0.00 C
ATOM 57 H5 8GL X 4 18.162 19.683 23.202 1.00 0.00 H
ATOM 58 N5 8GL X 4 17.040 20.246 21.512 1.00 0.00 N
ATOM 59 H5N 8GL X 4 16.931 21.037 20.898 1.00 0.00 H
ATOM 60 C5N 8GL X 4 16.805 19.015 21.057 1.00 0.00 C
ATOM 61 CME 8GL X 4 15.850 18.747 19.793 1.00 0.00 C
ATOM 62 H2M 8GL X 4 16.240 19.351 18.961 1.00 0.00 H
ATOM 63 H1M 8GL X 4 14.867 19.176 19.965 1.00 0.00 H
ATOM 64 OHG 8GL X 4 15.741 17.318 19.353 1.00 0.00 O
ATOM 65 HOG 8GL X 4 15.074 16.905 19.912 1.00 0.00 H
ATOM 66 O5N 8GL X 4 17.116 18.060 21.745 1.00 0.00 O
ATOM 67 C6 8GL X 4 19.264 21.239 22.195 1.00 0.00 C
ATOM 68 H6 8GL X 4 19.020 22.059 21.522 1.00 0.00 H
ATOM 69 O6 8GL X 4 19.921 21.741 23.380 1.00 0.00 O
ATOM 70 C7 8GL X 4 20.182 20.316 21.527 1.00 0.00 C
ATOM 71 H7 8GL X 4 19.625 19.776 20.760 1.00 0.00 H
ATOM 72 O7 8GL X 4 20.554 19.333 22.427 1.00 0.00 O
ATOM 73 H7O 8GL X 4 20.510 18.486 21.982 1.00 0.00 H
ATOM 74 C8 8GL X 4 21.381 21.072 20.882 1.00 0.00 C
ATOM 75 H8 8GL X 4 21.107 22.108 20.666 1.00 0.00 H
ATOM 76 C9 8GL X 4 22.610 21.314 21.823 1.00 0.00 C
ATOM 77 H9S 8GL X 4 22.584 22.324 22.228 1.00 0.00 H
ATOM 78 H9R 8GL X 4 22.758 20.611 22.643 1.00 0.00 H
ATOM 79 O9 8GL X 4 23.931 21.378 21.171 1.00 0.00 O
ATOM 80 H9O 8GL X 4 23.803 20.846 20.381 1.00 0.00 H
ATOM 81 O8 8GL X 4 21.645 20.307 19.603 1.00 0.00 O
ATOM 82 C2 0SA X 5 21.626 21.045 18.391 1.00 0.00 C
ATOM 83 C1 0SA X 5 20.193 21.689 17.997 1.00 0.00 C
ATOM 84 O1A 0SA X 5 20.161 22.794 17.429 1.00 0.00 O
ATOM 85 O1B 0SA X 5 19.136 20.981 18.132 1.00 0.00 O
ATOM 86 C3 0SA X 5 22.020 19.989 17.363 1.00 0.00 C
ATOM 87 H3E 0SA X 5 21.154 19.379 17.095 1.00 0.00 H
ATOM 88 H3A 0SA X 5 22.805 19.340 17.742 1.00 0.00 H
ATOM 89 C4 0SA X 5 22.478 20.736 16.055 1.00 0.00 C
ATOM 90 H4 0SA X 5 21.626 21.201 15.560 1.00 0.00 H
ATOM 91 C5 0SA X 5 23.685 21.725 16.244 1.00 0.00 C
ATOM 92 H5 0SA X 5 24.626 21.237 16.504 1.00 0.00 H
ATOM 93 C6 0SA X 5 23.316 22.599 17.471 1.00 0.00 C
ATOM 94 H6 0SA X 5 22.453 23.205 17.183 1.00 0.00 H
ATOM 95 C7 0SA X 5 24.520 23.427 18.029 1.00 0.00 C
ATOM 96 H7 0SA X 5 25.034 23.932 17.216 1.00 0.00 H
ATOM 97 C8 0SA X 5 23.970 24.418 19.059 1.00 0.00 C
ATOM 98 H8 0SA X 5 23.460 23.844 19.828 1.00 0.00 H
ATOM 99 C9 0SA X 5 25.058 25.216 19.810 1.00 0.00 C
ATOM 100 H9S 0SA X 5 24.627 25.715 20.680 1.00 0.00 H
ATOM 101 H9R 0SA X 5 25.792 24.505 20.201 1.00 0.00 H
ATOM 102 O9 0SA X 5 25.702 26.242 19.040 1.00 0.00 O
ATOM 103 H9O 0SA X 5 26.420 26.603 19.564 1.00 0.00 H
ATOM 104 O8 0SA X 5 22.916 25.284 18.550 1.00 0.00 O
ATOM 105 H8O 0SA X 5 22.266 25.248 19.255 1.00 0.00 H
ATOM 106 O7 0SA X 5 25.512 22.413 18.489 1.00 0.00 O
ATOM 107 H7O 0SA X 5 25.220 21.512 18.657 1.00 0.00 H
ATOM 108 O6 0SA X 5 22.779 21.867 18.542 1.00 0.00 O
ATOM 109 N5 0SA X 5 23.783 22.572 15.080 1.00 0.00 N
ATOM 110 H5N 0SA X 5 23.188 23.373 15.004 1.00 0.00 H
ATOM 111 C5N 0SA X 5 24.890 22.666 14.357 1.00 0.00 C
ATOM 112 CME 0SA X 5 24.836 23.936 13.459 1.00 0.00 C
ATOM 113 H3M 0SA X 5 23.798 24.253 13.503 1.00 0.00 H
ATOM 114 H2M 0SA X 5 25.356 23.649 12.543 1.00 0.00 H
ATOM 115 H1M 0SA X 5 25.471 24.643 14.005 1.00 0.00 H
ATOM 116 O5N 0SA X 5 25.778 21.784 14.271 1.00 0.00 O
ATOM 117 O4 0SA X 5 22.839 19.688 15.180 1.00 0.00 O
ATOM 118 H4O 0SA X 5 23.695 19.387 15.500 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 6
ATOM 1 HO1 ROH X 1 30.853 20.701 26.864 1.00 0.00 H
ATOM 2 O1 ROH X 1 30.271 20.109 26.385 1.00 0.00 O
ATOM 3 C1 4GA X 2 28.978 20.479 26.720 1.00 0.00 C
ATOM 4 H1 4GA X 2 28.918 20.145 27.762 1.00 0.00 H
ATOM 5 C2 4GA X 2 28.932 22.044 26.625 1.00 0.00 C
ATOM 6 H2 4GA X 2 29.086 22.365 25.590 1.00 0.00 H
ATOM 7 O2 4GA X 2 29.876 22.753 27.478 1.00 0.00 O
ATOM 8 H2O 4GA X 2 29.849 23.663 27.158 1.00 0.00 H
ATOM 9 C3 4GA X 2 27.554 22.493 26.962 1.00 0.00 C
ATOM 10 H3 4GA X 2 27.418 22.288 28.028 1.00 0.00 H
ATOM 11 O3 4GA X 2 27.446 23.918 26.796 1.00 0.00 O
ATOM 12 H3O 4GA X 2 27.835 24.328 27.563 1.00 0.00 H
ATOM 13 C4 4GA X 2 26.466 21.744 26.150 1.00 0.00 C
ATOM 14 H4 4GA X 2 26.592 21.999 25.099 1.00 0.00 H
ATOM 15 C5 4GA X 2 26.602 20.155 26.267 1.00 0.00 C
ATOM 16 H5 4GA X 2 26.453 19.773 27.281 1.00 0.00 H
ATOM 17 C6 4GA X 2 25.699 19.397 25.265 1.00 0.00 C
ATOM 18 H62 4GA X 2 26.002 18.350 25.272 1.00 0.00 H
ATOM 19 H61 4GA X 2 24.661 19.470 25.602 1.00 0.00 H
ATOM 20 O6 4GA X 2 25.689 19.925 23.946 1.00 0.00 O
ATOM 21 H6O 4GA X 2 24.995 19.457 23.474 1.00 0.00 H
ATOM 22 O5 4GA X 2 28.030 19.776 25.913 1.00 0.00 O
ATOM 23 O4 4GA X 2 25.144 22.078 26.626 1.00 0.00 O
ATOM 24 C1 3LB X 3 24.272 22.703 25.675 1.00 0.00 C
ATOM 25 H1 3LB X 3 24.529 22.334 24.679 1.00 0.00 H
ATOM 26 O5 3LB X 3 24.580 24.160 25.520 1.00 0.00 O
ATOM 27 C5 3LB X 3 23.626 24.787 24.492 1.00 0.00 C
ATOM 28 H5 3LB X 3 23.831 24.283 23.541 1.00 0.00 H
ATOM 29 C6 3LB X 3 23.864 26.327 24.311 1.00 0.00 C
ATOM 30 H62 3LB X 3 23.428 26.960 25.083 1.00 0.00 H
ATOM 31 H61 3LB X 3 23.305 26.651 23.433 1.00 0.00 H
ATOM 32 O6 3LB X 3 25.308 26.600 24.257 1.00 0.00 O
ATOM 33 H6O 3LB X 3 25.565 26.125 23.456 1.00 0.00 H
ATOM 34 C4 3LB X 3 22.229 24.559 24.951 1.00 0.00 C
ATOM 35 H4 3LB X 3 21.614 25.044 24.192 1.00 0.00 H
ATOM 36 O4 3LB X 3 22.025 25.268 26.208 1.00 0.00 O
ATOM 37 H4O 3LB X 3 21.196 25.707 26.025 1.00 0.00 H
ATOM 38 C3 3LB X 3 21.823 23.110 25.070 1.00 0.00 C
ATOM 39 H3 3LB X 3 21.871 22.613 24.108 1.00 0.00 H
ATOM 40 C2 3LB X 3 22.824 22.395 26.032 1.00 0.00 C
ATOM 41 H2 3LB X 3 22.684 22.807 27.033 1.00 0.00 H
ATOM 42 O2 3LB X 3 22.505 20.981 26.114 1.00 0.00 O
ATOM 43 H2O 3LB X 3 22.874 20.632 26.926 1.00 0.00 H
ATOM 44 O3 3LB X 3 20.465 22.978 25.612 1.00 0.00 O
ATOM 45 C2 8GL X 4 19.372 23.396 24.765 1.00 0.00 C
ATOM 46 C1 8GL X 4 19.214 24.996 24.700 1.00 0.00 C
ATOM 47 O1A 8GL X 4 19.385 25.697 25.703 1.00 0.00 O
ATOM 48 O1B 8GL X 4 19.090 25.548 23.538 1.00 0.00 O
ATOM 49 C3 8GL X 4 18.200 22.824 25.561 1.00 0.00 C
ATOM 50 H3E 8GL X 4 18.030 23.429 26.448 1.00 0.00 H
ATOM 51 H3A 8GL X 4 18.465 21.821 25.888 1.00 0.00 H
ATOM 52 C4 8GL X 4 16.852 22.862 24.800 1.00 0.00 C
ATOM 53 H4 8GL X 4 16.621 23.909 24.592 1.00 0.00 H
ATOM 54 O4 8GL X 4 15.860 22.174 25.712 1.00 0.00 O
ATOM 55 H4O 8GL X 4 15.808 22.618 26.553 1.00 0.00 H
ATOM 56 C5 8GL X 4 17.014 22.130 23.510 1.00 0.00 C
ATOM 57 H5 8GL X 4 17.100 21.074 23.762 1.00 0.00 H
ATOM 58 N5 8GL X 4 15.873 22.221 22.532 1.00 0.00 N
ATOM 59 H5N 8GL X 4 15.575 23.106 22.126 1.00 0.00 H
ATOM 60 C5N 8GL X 4 15.048 21.192 22.168 1.00 0.00 C
ATOM 61 CME 8GL X 4 14.044 21.432 20.957 1.00 0.00 C
ATOM 62 H2M 8GL X 4 14.691 21.804 20.163 1.00 0.00 H
ATOM 63 H1M 8GL X 4 13.412 22.278 21.224 1.00 0.00 H
ATOM 64 OHG 8GL X 4 13.204 20.297 20.527 1.00 0.00 O
ATOM 65 HOG 8GL X 4 12.481 20.125 21.135 1.00 0.00 H
ATOM 66 O5N 8GL X 4 15.129 20.110 22.742 1.00 0.00 O
ATOM 67 C6 8GL X 4 18.258 22.596 22.642 1.00 0.00 C
ATOM 68 H6 8GL X 4 18.057 23.561 22.184 1.00 0.00 H
ATOM 69 O6 8GL X 4 19.398 22.643 23.552 1.00 0.00 O
ATOM 70 C7 8GL X 4 18.535 21.620 21.534 1.00 0.00 C
ATOM 71 H7 8GL X 4 17.617 21.554 20.956 1.00 0.00 H
ATOM 72 O7 8GL X 4 18.807 20.297 22.062 1.00 0.00 O
ATOM 73 H7O 8GL X 4 19.663 20.156 22.472 1.00 0.00 H
ATOM 74 C8 8GL X 4 19.671 21.983 20.582 1.00 0.00 C
ATOM 75 H8 8GL X 4 19.721 21.319 19.729 1.00 0.00 H
ATOM 76 C9 8GL X 4 19.437 23.319 19.900 1.00 0.00 C
ATOM 77 H9S 8GL X 4 19.230 24.106 20.634 1.00 0.00 H
ATOM 78 H9R 8GL X 4 20.300 23.652 19.312 1.00 0.00 H
ATOM 79 O9 8GL X 4 18.167 23.370 19.067 1.00 0.00 O
ATOM 80 H9O 8GL X 4 18.183 24.256 18.701 1.00 0.00 H
ATOM 81 O8 8GL X 4 20.997 21.964 21.293 1.00 0.00 O
ATOM 82 C2 0SA X 5 22.092 21.534 20.459 1.00 0.00 C
ATOM 83 C1 0SA X 5 22.204 19.929 20.052 1.00 0.00 C
ATOM 84 O1A 0SA X 5 22.889 19.567 19.033 1.00 0.00 O
ATOM 85 O1B 0SA X 5 21.779 19.025 20.760 1.00 0.00 O
ATOM 86 C3 0SA X 5 23.355 21.795 21.317 1.00 0.00 C
ATOM 87 H3E 0SA X 5 23.342 21.224 22.240 1.00 0.00 H
ATOM 88 H3A 0SA X 5 23.301 22.807 21.736 1.00 0.00 H
ATOM 89 C4 0SA X 5 24.692 21.673 20.556 1.00 0.00 C
ATOM 90 H4 0SA X 5 24.803 20.615 20.316 1.00 0.00 H
ATOM 91 C5 0SA X 5 24.779 22.532 19.348 1.00 0.00 C
ATOM 92 H5 0SA X 5 24.888 23.570 19.666 1.00 0.00 H
ATOM 93 C6 0SA X 5 23.471 22.414 18.508 1.00 0.00 C
ATOM 94 H6 0SA X 5 23.492 21.474 17.962 1.00 0.00 H
ATOM 95 C7 0SA X 5 23.367 23.546 17.472 1.00 0.00 C
ATOM 96 H7 0SA X 5 24.204 23.531 16.769 1.00 0.00 H
ATOM 97 C8 0SA X 5 22.086 23.501 16.543 1.00 0.00 C
ATOM 98 H8 0SA X 5 21.175 23.621 17.129 1.00 0.00 H
ATOM 99 C9 0SA X 5 22.111 24.569 15.434 1.00 0.00 C
ATOM 100 H9S 0SA X 5 22.235 25.526 15.934 1.00 0.00 H
ATOM 101 H9R 0SA X 5 23.011 24.442 14.823 1.00 0.00 H
ATOM 102 O9 0SA X 5 20.929 24.545 14.570 1.00 0.00 O
ATOM 103 H9O 0SA X 5 20.935 23.630 14.271 1.00 0.00 H
ATOM 104 O8 0SA X 5 21.987 22.257 15.826 1.00 0.00 O
ATOM 105 H8O 0SA X 5 21.076 21.993 15.991 1.00 0.00 H
ATOM 106 O7 0SA X 5 23.434 24.846 18.112 1.00 0.00 O
ATOM 107 H7O 0SA X 5 22.620 25.094 18.565 1.00 0.00 H
ATOM 108 O6 0SA X 5 22.227 22.451 19.327 1.00 0.00 O
ATOM 109 N5 0SA X 5 25.843 22.155 18.436 1.00 0.00 N
ATOM 110 H5N 0SA X 5 25.950 21.176 18.233 1.00 0.00 H
ATOM 111 C5N 0SA X 5 26.619 23.024 17.751 1.00 0.00 C
ATOM 112 CME 0SA X 5 27.485 22.421 16.591 1.00 0.00 C
ATOM 113 H3M 0SA X 5 27.587 21.342 16.752 1.00 0.00 H
ATOM 114 H2M 0SA X 5 28.446 22.934 16.610 1.00 0.00 H
ATOM 115 H1M 0SA X 5 27.003 22.545 15.617 1.00 0.00 H
ATOM 116 O5N 0SA X 5 26.707 24.196 17.944 1.00 0.00 O
ATOM 117 O4 0SA X 5 25.767 21.960 21.458 1.00 0.00 O
ATOM 118 H4O 0SA X 5 26.078 21.194 21.941 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 7
ATOM 1 HO1 ROH X 1 27.290 21.871 32.605 1.00 0.00 H
ATOM 2 O1 ROH X 1 27.648 22.459 31.937 1.00 0.00 O
ATOM 3 C1 4GA X 2 26.827 23.628 31.936 1.00 0.00 C
ATOM 4 H1 4GA X 2 27.023 24.198 32.841 1.00 0.00 H
ATOM 5 C2 4GA X 2 27.023 24.398 30.605 1.00 0.00 C
ATOM 6 H2 4GA X 2 28.061 24.718 30.456 1.00 0.00 H
ATOM 7 O2 4GA X 2 26.094 25.511 30.364 1.00 0.00 O
ATOM 8 H2O 4GA X 2 25.996 25.879 31.239 1.00 0.00 H
ATOM 9 C3 4GA X 2 26.731 23.519 29.406 1.00 0.00 C
ATOM 10 H3 4GA X 2 26.757 24.215 28.566 1.00 0.00 H
ATOM 11 O3 4GA X 2 27.807 22.568 29.175 1.00 0.00 O
ATOM 12 H3O 4GA X 2 27.687 21.741 29.652 1.00 0.00 H
ATOM 13 C4 4GA X 2 25.381 22.725 29.489 1.00 0.00 C
ATOM 14 H4 4GA X 2 25.588 21.834 28.902 1.00 0.00 H
ATOM 15 C5 4GA X 2 25.030 22.303 30.969 1.00 0.00 C
ATOM 16 H5 4GA X 2 23.959 22.139 31.107 1.00 0.00 H
ATOM 17 C6 4GA X 2 25.546 20.910 31.312 1.00 0.00 C
ATOM 18 H62 4GA X 2 25.495 20.729 32.381 1.00 0.00 H
ATOM 19 H61 4GA X 2 24.917 20.151 30.829 1.00 0.00 H
ATOM 20 O6 4GA X 2 26.869 20.614 30.820 1.00 0.00 O
ATOM 21 H6O 4GA X 2 27.053 19.729 31.141 1.00 0.00 H
ATOM 22 O5 4GA X 2 25.404 23.277 32.007 1.00 0.00 O
ATOM 23 O4 4GA X 2 24.214 23.381 28.843 1.00 0.00 O
ATOM 24 C1 3LB X 3 24.061 22.899 27.467 1.00 0.00 C
ATOM 25 H1 3LB X 3 23.913 21.809 27.525 1.00 0.00 H
ATOM 26 O5 3LB X 3 25.253 23.212 26.725 1.00 0.00 O
ATOM 27 C5 3LB X 3 25.153 22.712 25.257 1.00 0.00 C
ATOM 28 H5 3LB X 3 24.933 21.644 25.365 1.00 0.00 H
ATOM 29 C6 3LB X 3 26.518 22.879 24.565 1.00 0.00 C
ATOM 30 H62 3LB X 3 27.292 22.342 25.102 1.00 0.00 H
ATOM 31 H61 3LB X 3 26.754 23.942 24.469 1.00 0.00 H
ATOM 32 O6 3LB X 3 26.374 22.413 23.182 1.00 0.00 O
ATOM 33 H6O 3LB X 3 27.167 22.633 22.693 1.00 0.00 H
ATOM 34 C4 3LB X 3 23.997 23.417 24.565 1.00 0.00 C
ATOM 35 H4 3LB X 3 23.934 23.096 23.531 1.00 0.00 H
ATOM 36 O4 3LB X 3 24.105 24.886 24.649 1.00 0.00 O
ATOM 37 H4O 3LB X 3 23.306 25.335 24.367 1.00 0.00 H
ATOM 38 C3 3LB X 3 22.693 23.016 25.360 1.00 0.00 C
ATOM 39 H3 3LB X 3 22.492 21.949 25.311 1.00 0.00 H
ATOM 40 C2 3LB X 3 22.816 23.471 26.833 1.00 0.00 C
ATOM 41 H2 3LB X 3 22.688 24.548 26.794 1.00 0.00 H
ATOM 42 O2 3LB X 3 21.596 22.936 27.498 1.00 0.00 O
ATOM 43 H2O 3LB X 3 20.885 23.575 27.504 1.00 0.00 H
ATOM 44 O3 3LB X 3 21.491 23.672 24.842 1.00 0.00 O
ATOM 45 C2 8GL X 4 20.449 23.028 24.062 1.00 0.00 C
ATOM 46 C1 8GL X 4 19.498 24.163 23.362 1.00 0.00 C
ATOM 47 O1A 8GL X 4 18.360 24.378 23.874 1.00 0.00 O
ATOM 48 O1B 8GL X 4 19.887 24.703 22.292 1.00 0.00 O
ATOM 49 C3 8GL X 4 19.602 22.087 24.992 1.00 0.00 C
ATOM 50 H3E 8GL X 4 18.929 22.601 25.669 1.00 0.00 H
ATOM 51 H3A 8GL X 4 20.313 21.655 25.706 1.00 0.00 H
ATOM 52 C4 8GL X 4 18.754 21.075 24.187 1.00 0.00 C
ATOM 53 H4 8GL X 4 17.964 21.611 23.652 1.00 0.00 H
ATOM 54 O4 8GL X 4 18.157 20.150 25.163 1.00 0.00 O
ATOM 55 H4O 8GL X 4 17.586 20.701 25.707 1.00 0.00 H
ATOM 56 C5 8GL X 4 19.505 20.254 23.090 1.00 0.00 C
ATOM 57 H5 8GL X 4 20.177 19.574 23.617 1.00 0.00 H
ATOM 58 N5 8GL X 4 18.547 19.478 22.212 1.00 0.00 N
ATOM 59 H5N 8GL X 4 17.792 20.042 21.857 1.00 0.00 H
ATOM 60 C5N 8GL X 4 18.865 18.310 21.685 1.00 0.00 C
ATOM 61 CME 8GL X 4 17.541 17.557 21.004 1.00 0.00 C
ATOM 62 H2M 8GL X 4 17.387 18.083 20.066 1.00 0.00 H
ATOM 63 H1M 8GL X 4 16.575 17.601 21.527 1.00 0.00 H
ATOM 64 OHG 8GL X 4 17.757 16.167 20.593 1.00 0.00 O
ATOM 65 HOG 8GL X 4 18.213 16.187 19.751 1.00 0.00 H
ATOM 66 O5N 8GL X 4 19.998 17.860 21.689 1.00 0.00 O
ATOM 67 C6 8GL X 4 20.379 21.210 22.263 1.00 0.00 C
ATOM 68 H6 8GL X 4 19.709 21.823 21.662 1.00 0.00 H
ATOM 69 O6 8GL X 4 21.109 22.173 23.088 1.00 0.00 O
ATOM 70 C7 8GL X 4 21.430 20.552 21.373 1.00 0.00 C
ATOM 71 H7 8GL X 4 20.829 19.863 20.773 1.00 0.00 H
ATOM 72 O7 8GL X 4 22.454 19.718 22.048 1.00 0.00 O
ATOM 73 H7O 8GL X 4 23.067 19.399 21.386 1.00 0.00 H
ATOM 74 C8 8GL X 4 22.051 21.560 20.337 1.00 0.00 C
ATOM 75 H8 8GL X 4 21.261 22.284 20.121 1.00 0.00 H
ATOM 76 C9 8GL X 4 23.328 22.351 20.778 1.00 0.00 C
ATOM 77 H9S 8GL X 4 23.342 22.285 21.862 1.00 0.00 H
ATOM 78 H9R 8GL X 4 24.206 21.859 20.338 1.00 0.00 H
ATOM 79 O9 8GL X 4 23.471 23.628 20.220 1.00 0.00 O
ATOM 80 H9O 8GL X 4 24.382 23.655 19.919 1.00 0.00 H
ATOM 81 O8 8GL X 4 22.393 20.841 19.067 1.00 0.00 O
ATOM 82 C2 0SA X 5 21.679 21.240 17.902 1.00 0.00 C
ATOM 83 C1 0SA X 5 20.125 20.694 17.790 1.00 0.00 C
ATOM 84 O1A 0SA X 5 19.295 21.407 17.224 1.00 0.00 O
ATOM 85 O1B 0SA X 5 19.793 19.673 18.431 1.00 0.00 O
ATOM 86 C3 0SA X 5 22.553 20.756 16.761 1.00 0.00 C
ATOM 87 H3E 0SA X 5 22.482 19.679 16.594 1.00 0.00 H
ATOM 88 H3A 0SA X 5 23.582 21.061 16.950 1.00 0.00 H
ATOM 89 C4 0SA X 5 22.147 21.399 15.387 1.00 0.00 C
ATOM 90 H4 0SA X 5 21.245 20.883 15.057 1.00 0.00 H
ATOM 91 C5 0SA X 5 22.093 22.938 15.402 1.00 0.00 C
ATOM 92 H5 0SA X 5 23.122 23.317 15.414 1.00 0.00 H
ATOM 93 C6 0SA X 5 21.415 23.451 16.699 1.00 0.00 C
ATOM 94 H6 0SA X 5 20.338 23.323 16.586 1.00 0.00 H
ATOM 95 C7 0SA X 5 21.777 24.997 16.925 1.00 0.00 C
ATOM 96 H7 0SA X 5 21.417 25.433 15.993 1.00 0.00 H
ATOM 97 C8 0SA X 5 21.007 25.642 18.095 1.00 0.00 C
ATOM 98 H8 0SA X 5 21.574 25.344 18.982 1.00 0.00 H
ATOM 99 C9 0SA X 5 20.974 27.211 18.060 1.00 0.00 C
ATOM 100 H9S 0SA X 5 20.647 27.625 19.009 1.00 0.00 H
ATOM 101 H9R 0SA X 5 21.958 27.632 17.844 1.00 0.00 H
ATOM 102 O9 0SA X 5 20.085 27.634 16.992 1.00 0.00 O
ATOM 103 H9O 0SA X 5 19.914 28.576 17.069 1.00 0.00 H
ATOM 104 O8 0SA X 5 19.640 25.211 18.219 1.00 0.00 O
ATOM 105 H8O 0SA X 5 19.297 25.747 18.945 1.00 0.00 H
ATOM 106 O7 0SA X 5 23.193 25.223 17.009 1.00 0.00 O
ATOM 107 H7O 0SA X 5 23.595 24.761 17.748 1.00 0.00 H
ATOM 108 O6 0SA X 5 21.728 22.725 17.855 1.00 0.00 O
ATOM 109 N5 0SA X 5 21.296 23.347 14.181 1.00 0.00 N
ATOM 110 H5N 0SA X 5 20.305 23.157 14.208 1.00 0.00 H
ATOM 111 C5N 0SA X 5 21.753 24.014 13.128 1.00 0.00 C
ATOM 112 CME 0SA X 5 20.838 24.137 11.877 1.00 0.00 C
ATOM 113 H3M 0SA X 5 20.938 23.284 11.207 1.00 0.00 H
ATOM 114 H2M 0SA X 5 21.094 25.008 11.271 1.00 0.00 H
ATOM 115 H1M 0SA X 5 19.786 24.240 12.164 1.00 0.00 H
ATOM 116 O5N 0SA X 5 22.823 24.590 13.144 1.00 0.00 O
ATOM 117 O4 0SA X 5 23.206 21.018 14.450 1.00 0.00 O
ATOM 118 H4O 0SA X 5 23.114 20.077 14.266 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 8
ATOM 1 HO1 ROH X 1 24.563 20.745 31.940 1.00 0.00 H
ATOM 2 O1 ROH X 1 24.525 19.827 31.648 1.00 0.00 O
ATOM 3 C1 4GA X 2 25.760 20.528 31.964 1.00 0.00 C
ATOM 4 H1 4GA X 2 26.212 20.253 32.909 1.00 0.00 H
ATOM 5 C2 4GA X 2 26.793 20.420 30.757 1.00 0.00 C
ATOM 6 H2 4GA X 2 27.217 19.422 30.619 1.00 0.00 H
ATOM 7 O2 4GA X 2 27.976 21.310 30.995 1.00 0.00 O
ATOM 8 H2O 4GA X 2 28.200 21.179 31.928 1.00 0.00 H
ATOM 9 C3 4GA X 2 25.963 20.945 29.503 1.00 0.00 C
ATOM 10 H3 4GA X 2 26.629 21.155 28.666 1.00 0.00 H
ATOM 11 O3 4GA X 2 25.206 19.770 29.072 1.00 0.00 O
ATOM 12 H3O 4GA X 2 25.606 19.477 28.244 1.00 0.00 H
ATOM 13 C4 4GA X 2 25.085 22.228 29.758 1.00 0.00 C
ATOM 14 H4 4GA X 2 24.055 21.865 29.886 1.00 0.00 H
ATOM 15 C5 4GA X 2 25.408 22.884 31.131 1.00 0.00 C
ATOM 16 H5 4GA X 2 26.405 23.320 31.046 1.00 0.00 H
ATOM 17 C6 4GA X 2 24.547 24.146 31.560 1.00 0.00 C
ATOM 18 H62 4GA X 2 24.927 24.516 32.514 1.00 0.00 H
ATOM 19 H61 4GA X 2 24.656 25.003 30.896 1.00 0.00 H
ATOM 20 O6 4GA X 2 23.153 23.869 31.806 1.00 0.00 O
ATOM 21 H6O 4GA X 2 22.714 24.393 31.133 1.00 0.00 H
ATOM 22 O5 4GA X 2 25.462 21.914 32.275 1.00 0.00 O
ATOM 23 O4 4GA X 2 25.354 23.160 28.668 1.00 0.00 O
ATOM 24 C1 3LB X 3 24.708 22.708 27.370 1.00 0.00 C
ATOM 25 H1 3LB X 3 24.017 21.874 27.488 1.00 0.00 H
ATOM 26 O5 3LB X 3 25.842 22.398 26.462 1.00 0.00 O
ATOM 27 C5 3LB X 3 25.423 21.872 25.095 1.00 0.00 C
ATOM 28 H5 3LB X 3 24.810 20.976 25.192 1.00 0.00 H
ATOM 29 C6 3LB X 3 26.616 21.466 24.338 1.00 0.00 C
ATOM 30 H62 3LB X 3 27.347 22.266 24.311 1.00 0.00 H
ATOM 31 H61 3LB X 3 26.383 21.317 23.286 1.00 0.00 H
ATOM 32 O6 3LB X 3 27.157 20.271 24.879 1.00 0.00 O
ATOM 33 H6O 3LB X 3 28.087 20.377 24.680 1.00 0.00 H
ATOM 34 C4 3LB X 3 24.538 23.059 24.451 1.00 0.00 C
ATOM 35 H4 3LB X 3 24.039 22.590 23.608 1.00 0.00 H
ATOM 36 O4 3LB X 3 25.421 24.181 24.148 1.00 0.00 O
ATOM 37 H4O 3LB X 3 25.033 24.877 23.614 1.00 0.00 H
ATOM 38 C3 3LB X 3 23.423 23.528 25.441 1.00 0.00 C
ATOM 39 H3 3LB X 3 22.830 22.660 25.710 1.00 0.00 H
ATOM 40 C2 3LB X 3 23.959 23.913 26.839 1.00 0.00 C
ATOM 41 H2 3LB X 3 24.716 24.676 26.656 1.00 0.00 H
ATOM 42 O2 3LB X 3 22.828 24.344 27.633 1.00 0.00 O
ATOM 43 H2O 3LB X 3 22.393 25.067 27.178 1.00 0.00 H
ATOM 44 O3 3LB X 3 22.604 24.609 24.889 1.00 0.00 O
ATOM 45 C2 8GL X 4 21.465 24.339 23.931 1.00 0.00 C
ATOM 46 C1 8GL X 4 21.070 25.723 23.172 1.00 0.00 C
ATOM 47 O1A 8GL X 4 21.538 25.935 22.052 1.00 0.00 O
ATOM 48 O1B 8GL X 4 20.226 26.488 23.685 1.00 0.00 O
ATOM 49 C3 8GL X 4 20.337 23.768 24.772 1.00 0.00 C
ATOM 50 H3E 8GL X 4 19.893 24.509 25.436 1.00 0.00 H
ATOM 51 H3A 8GL X 4 20.688 22.912 25.343 1.00 0.00 H
ATOM 52 C4 8GL X 4 19.293 23.115 23.849 1.00 0.00 C
ATOM 53 H4 8GL X 4 18.656 23.814 23.305 1.00 0.00 H
ATOM 54 O4 8GL X 4 18.391 22.371 24.743 1.00 0.00 O
ATOM 55 H4O 8GL X 4 17.604 22.072 24.282 1.00 0.00 H
ATOM 56 C5 8GL X 4 19.815 22.087 22.785 1.00 0.00 C
ATOM 57 H5 8GL X 4 20.048 21.157 23.306 1.00 0.00 H
ATOM 58 N5 8GL X 4 18.731 21.715 21.901 1.00 0.00 N
ATOM 59 H5N 8GL X 4 18.469 22.396 21.200 1.00 0.00 H
ATOM 60 C5N 8GL X 4 17.933 20.609 21.976 1.00 0.00 C
ATOM 61 CME 8GL X 4 17.022 20.291 20.784 1.00 0.00 C
ATOM 62 H2M 8GL X 4 17.625 19.795 20.032 1.00 0.00 H
ATOM 63 H1M 8GL X 4 16.640 21.245 20.417 1.00 0.00 H
ATOM 64 OHG 8GL X 4 15.789 19.444 20.997 1.00 0.00 O
ATOM 65 HOG 8GL X 4 15.164 19.602 20.283 1.00 0.00 H
ATOM 66 O5N 8GL X 4 18.109 19.906 22.945 1.00 0.00 O
ATOM 67 C6 8GL X 4 21.049 22.584 22.057 1.00 0.00 C
ATOM 68 H6 8GL X 4 20.686 23.356 21.369 1.00 0.00 H
ATOM 69 O6 8GL X 4 21.917 23.308 22.969 1.00 0.00 O
ATOM 70 C7 8GL X 4 21.856 21.562 21.210 1.00 0.00 C
ATOM 71 H7 8GL X 4 21.136 21.069 20.559 1.00 0.00 H
ATOM 72 O7 8GL X 4 22.393 20.547 22.145 1.00 0.00 O
ATOM 73 H7O 8GL X 4 22.738 19.781 21.686 1.00 0.00 H
ATOM 74 C8 8GL X 4 22.784 22.224 20.228 1.00 0.00 C
ATOM 75 H8 8GL X 4 22.373 23.183 19.929 1.00 0.00 H
ATOM 76 C9 8GL X 4 24.192 22.539 20.803 1.00 0.00 C
ATOM 77 H9S 8GL X 4 24.130 23.361 21.522 1.00 0.00 H
ATOM 78 H9R 8GL X 4 24.684 21.655 21.202 1.00 0.00 H
ATOM 79 O9 8GL X 4 25.021 23.115 19.710 1.00 0.00 O
ATOM 80 H9O 8GL X 4 24.482 23.203 18.918 1.00 0.00 H
ATOM 81 O8 8GL X 4 23.120 21.377 18.971 1.00 0.00 O
ATOM 82 C2 0SA X 5 22.146 21.172 17.885 1.00 0.00 C
ATOM 83 C1 0SA X 5 21.000 19.991 18.120 1.00 0.00 C
ATOM 84 O1A 0SA X 5 19.848 20.049 17.637 1.00 0.00 O
ATOM 85 O1B 0SA X 5 21.365 18.971 18.788 1.00 0.00 O
ATOM 86 C3 0SA X 5 23.035 20.712 16.681 1.00 0.00 C
ATOM 87 H3E 0SA X 5 23.486 19.742 16.939 1.00 0.00 H
ATOM 88 H3A 0SA X 5 23.812 21.457 16.477 1.00 0.00 H
ATOM 89 C4 0SA X 5 22.212 20.623 15.421 1.00 0.00 C
ATOM 90 H4 0SA X 5 21.347 19.962 15.483 1.00 0.00 H
ATOM 91 C5 0SA X 5 21.750 22.093 15.133 1.00 0.00 C
ATOM 92 H5 0SA X 5 22.639 22.723 15.036 1.00 0.00 H
ATOM 93 C6 0SA X 5 21.003 22.716 16.293 1.00 0.00 C
ATOM 94 H6 0SA X 5 20.022 22.256 16.421 1.00 0.00 H
ATOM 95 C7 0SA X 5 20.620 24.227 16.337 1.00 0.00 C
ATOM 96 H7 0SA X 5 19.924 24.445 15.522 1.00 0.00 H
ATOM 97 C8 0SA X 5 19.886 24.755 17.566 1.00 0.00 C
ATOM 98 H8 0SA X 5 20.358 24.427 18.498 1.00 0.00 H
ATOM 99 C9 0SA X 5 19.816 26.300 17.706 1.00 0.00 C
ATOM 100 H9S 0SA X 5 20.740 26.817 17.443 1.00 0.00 H
ATOM 101 H9R 0SA X 5 19.129 26.625 16.923 1.00 0.00 H
ATOM 102 O9 0SA X 5 19.341 26.697 19.034 1.00 0.00 O
ATOM 103 H9O 0SA X 5 19.468 27.646 19.096 1.00 0.00 H
ATOM 104 O8 0SA X 5 18.571 24.186 17.540 1.00 0.00 O
ATOM 105 H8O 0SA X 5 18.060 24.669 16.890 1.00 0.00 H
ATOM 106 O7 0SA X 5 21.832 25.034 16.035 1.00 0.00 O
ATOM 107 H7O 0SA X 5 22.538 24.851 16.668 1.00 0.00 H
ATOM 108 O6 0SA X 5 21.731 22.516 17.478 1.00 0.00 O
ATOM 109 N5 0SA X 5 20.876 22.171 13.955 1.00 0.00 N
ATOM 110 H5N 0SA X 5 20.331 21.368 13.652 1.00 0.00 H
ATOM 111 C5N 0SA X 5 20.701 23.244 13.185 1.00 0.00 C
ATOM 112 CME 0SA X 5 19.751 23.004 11.962 1.00 0.00 C
ATOM 113 H3M 0SA X 5 19.024 23.772 11.713 1.00 0.00 H
ATOM 114 H2M 0SA X 5 19.155 22.103 12.166 1.00 0.00 H
ATOM 115 H1M 0SA X 5 20.420 22.791 11.133 1.00 0.00 H
ATOM 116 O5N 0SA X 5 21.314 24.287 13.348 1.00 0.00 O
ATOM 117 O4 0SA X 5 22.985 20.208 14.244 1.00 0.00 O
ATOM 118 H4O 0SA X 5 22.495 20.313 13.432 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 9
ATOM 1 HO1 ROH X 1 27.036 17.788 30.032 1.00 0.00 H
ATOM 2 O1 ROH X 1 27.300 18.496 30.627 1.00 0.00 O
ATOM 3 C1 4GA X 2 26.414 19.404 30.043 1.00 0.00 C
ATOM 4 H1 4GA X 2 25.413 19.117 30.346 1.00 0.00 H
ATOM 5 C2 4GA X 2 26.815 20.859 30.455 1.00 0.00 C
ATOM 6 H2 4GA X 2 27.825 20.973 30.068 1.00 0.00 H
ATOM 7 O2 4GA X 2 26.870 21.089 31.972 1.00 0.00 O
ATOM 8 H2O 4GA X 2 26.178 21.722 32.175 1.00 0.00 H
ATOM 9 C3 4GA X 2 25.967 21.879 29.748 1.00 0.00 C
ATOM 10 H3 4GA X 2 24.924 21.842 30.076 1.00 0.00 H
ATOM 11 O3 4GA X 2 26.435 23.165 30.144 1.00 0.00 O
ATOM 12 H3O 4GA X 2 26.135 23.907 29.610 1.00 0.00 H
ATOM 13 C4 4GA X 2 25.939 21.679 28.231 1.00 0.00 C
ATOM 14 H4 4GA X 2 26.831 22.081 27.748 1.00 0.00 H
ATOM 15 C5 4GA X 2 25.624 20.185 27.761 1.00 0.00 C
ATOM 16 H5 4GA X 2 24.578 20.041 27.996 1.00 0.00 H
ATOM 17 C6 4GA X 2 25.894 19.968 26.272 1.00 0.00 C
ATOM 18 H62 4GA X 2 25.869 18.939 25.913 1.00 0.00 H
ATOM 19 H61 4GA X 2 25.040 20.474 25.812 1.00 0.00 H
ATOM 20 O6 4GA X 2 27.142 20.517 25.770 1.00 0.00 O
ATOM 21 H6O 4GA X 2 27.066 20.526 24.816 1.00 0.00 H
ATOM 22 O5 4GA X 2 26.472 19.327 28.577 1.00 0.00 O
ATOM 23 O4 4GA X 2 24.794 22.537 27.736 1.00 0.00 O
ATOM 24 C1 3LB X 3 24.898 23.254 26.438 1.00 0.00 C
ATOM 25 H1 3LB X 3 25.144 22.566 25.622 1.00 0.00 H
ATOM 26 O5 3LB X 3 25.966 24.284 26.452 1.00 0.00 O
ATOM 27 C5 3LB X 3 26.112 25.065 25.165 1.00 0.00 C
ATOM 28 H5 3LB X 3 26.425 24.279 24.473 1.00 0.00 H
ATOM 29 C6 3LB X 3 27.204 26.064 25.282 1.00 0.00 C
ATOM 30 H62 3LB X 3 27.104 26.518 26.264 1.00 0.00 H
ATOM 31 H61 3LB X 3 27.151 26.931 24.618 1.00 0.00 H
ATOM 32 O6 3LB X 3 28.523 25.497 25.139 1.00 0.00 O
ATOM 33 H6O 3LB X 3 28.633 24.766 25.738 1.00 0.00 H
ATOM 34 C4 3LB X 3 24.754 25.727 24.919 1.00 0.00 C
ATOM 35 H4 3LB X 3 24.761 26.158 23.910 1.00 0.00 H
ATOM 36 O4 3LB X 3 24.448 26.667 25.984 1.00 0.00 O
ATOM 37 H4O 3LB X 3 24.206 27.484 25.539 1.00 0.00 H
ATOM 38 C3 3LB X 3 23.571 24.671 24.818 1.00 0.00 C
ATOM 39 H3 3LB X 3 23.698 23.995 23.965 1.00 0.00 H
ATOM 40 C2 3LB X 3 23.508 23.815 26.097 1.00 0.00 C
ATOM 41 H2 3LB X 3 23.191 24.440 26.934 1.00 0.00 H
ATOM 42 O2 3LB X 3 22.651 22.656 25.894 1.00 0.00 O
ATOM 43 H2O 3LB X 3 21.833 22.888 25.457 1.00 0.00 H
ATOM 44 O3 3LB X 3 22.201 25.312 24.685 1.00 0.00 O
ATOM 45 C2 8GL X 4 21.691 25.272 23.309 1.00 0.00 C
ATOM 46 C1 8GL X 4 22.518 26.085 22.230 1.00 0.00 C
ATOM 47 O1A 8GL X 4 22.717 27.306 22.398 1.00 0.00 O
ATOM 48 O1B 8GL X 4 22.788 25.509 21.118 1.00 0.00 O
ATOM 49 C3 8GL X 4 20.338 26.088 23.507 1.00 0.00 C
ATOM 50 H3E 8GL X 4 20.544 27.123 23.786 1.00 0.00 H
ATOM 51 H3A 8GL X 4 19.877 25.631 24.391 1.00 0.00 H
ATOM 52 C4 8GL X 4 19.392 25.955 22.356 1.00 0.00 C
ATOM 53 H4 8GL X 4 19.898 26.303 21.460 1.00 0.00 H
ATOM 54 O4 8GL X 4 18.236 26.788 22.554 1.00 0.00 O
ATOM 55 H4O 8GL X 4 18.563 27.685 22.660 1.00 0.00 H
ATOM 56 C5 8GL X 4 19.006 24.482 22.135 1.00 0.00 C
ATOM 57 H5 8GL X 4 18.557 24.249 23.107 1.00 0.00 H
ATOM 58 N5 8GL X 4 18.054 24.159 21.069 1.00 0.00 N
ATOM 59 H5N 8GL X 4 18.283 24.477 20.134 1.00 0.00 H
ATOM 60 C5N 8GL X 4 16.847 23.507 21.237 1.00 0.00 C
ATOM 61 CME 8GL X 4 15.856 23.395 20.016 1.00 0.00 C
ATOM 62 H2M 8GL X 4 16.414 23.052 19.145 1.00 0.00 H
ATOM 63 H1M 8GL X 4 15.494 24.398 19.757 1.00 0.00 H
ATOM 64 OHG 8GL X 4 14.757 22.520 20.184 1.00 0.00 O
ATOM 65 HOG 8GL X 4 14.184 22.897 20.849 1.00 0.00 H
ATOM 66 O5N 8GL X 4 16.614 23.048 22.372 1.00 0.00 O
ATOM 67 C6 8GL X 4 20.241 23.644 21.990 1.00 0.00 C
ATOM 68 H6 8GL X 4 20.665 24.001 21.056 1.00 0.00 H
ATOM 69 O6 8GL X 4 21.301 23.914 22.963 1.00 0.00 O
ATOM 70 C7 8GL X 4 19.977 22.031 21.945 1.00 0.00 C
ATOM 71 H7 8GL X 4 19.271 21.780 21.149 1.00 0.00 H
ATOM 72 O7 8GL X 4 19.196 21.643 23.159 1.00 0.00 O
ATOM 73 H7O 8GL X 4 18.348 22.074 23.054 1.00 0.00 H
ATOM 74 C8 8GL X 4 21.227 21.157 21.761 1.00 0.00 C
ATOM 75 H8 8GL X 4 21.988 21.675 21.180 1.00 0.00 H
ATOM 76 C9 8GL X 4 22.015 20.881 23.071 1.00 0.00 C
ATOM 77 H9S 8GL X 4 22.153 21.720 23.750 1.00 0.00 H
ATOM 78 H9R 8GL X 4 21.489 20.148 23.688 1.00 0.00 H
ATOM 79 O9 8GL X 4 23.371 20.450 22.825 1.00 0.00 O
ATOM 80 H9O 8GL X 4 23.539 19.512 22.934 1.00 0.00 H
ATOM 81 O8 8GL X 4 20.930 19.858 21.053 1.00 0.00 O
ATOM 82 C2 0SA X 5 21.173 19.646 19.687 1.00 0.00 C
ATOM 83 C1 0SA X 5 20.590 18.162 19.262 1.00 0.00 C
ATOM 84 O1A 0SA X 5 20.859 17.090 19.879 1.00 0.00 O
ATOM 85 O1B 0SA X 5 19.843 18.120 18.244 1.00 0.00 O
ATOM 86 C3 0SA X 5 22.755 19.631 19.336 1.00 0.00 C
ATOM 87 H3E 0SA X 5 23.279 18.791 19.793 1.00 0.00 H
ATOM 88 H3A 0SA X 5 23.221 20.502 19.789 1.00 0.00 H
ATOM 89 C4 0SA X 5 23.000 19.641 17.881 1.00 0.00 C
ATOM 90 H4 0SA X 5 22.636 18.699 17.463 1.00 0.00 H
ATOM 91 C5 0SA X 5 22.356 20.837 17.133 1.00 0.00 C
ATOM 92 H5 0SA X 5 22.941 21.668 17.524 1.00 0.00 H
ATOM 93 C6 0SA X 5 20.867 20.930 17.492 1.00 0.00 C
ATOM 94 H6 0SA X 5 20.435 20.083 16.955 1.00 0.00 H
ATOM 95 C7 0SA X 5 20.231 22.294 17.067 1.00 0.00 C
ATOM 96 H7 0SA X 5 20.512 22.450 16.024 1.00 0.00 H
ATOM 97 C8 0SA X 5 18.770 22.440 17.354 1.00 0.00 C
ATOM 98 H8 0SA X 5 18.588 22.228 18.402 1.00 0.00 H
ATOM 99 C9 0SA X 5 18.106 23.842 17.072 1.00 0.00 C
ATOM 100 H9S 0SA X 5 18.674 24.248 16.233 1.00 0.00 H
ATOM 101 H9R 0SA X 5 17.045 23.718 16.872 1.00 0.00 H
ATOM 102 O9 0SA X 5 18.327 24.836 18.145 1.00 0.00 O
ATOM 103 H9O 0SA X 5 17.851 25.648 17.917 1.00 0.00 H
ATOM 104 O8 0SA X 5 17.972 21.461 16.509 1.00 0.00 O
ATOM 105 H8O 0SA X 5 17.842 20.603 16.910 1.00 0.00 H
ATOM 106 O7 0SA X 5 20.991 23.301 17.953 1.00 0.00 O
ATOM 107 H7O 0SA X 5 20.918 24.162 17.527 1.00 0.00 H
ATOM 108 O6 0SA X 5 20.690 20.761 18.958 1.00 0.00 O
ATOM 109 N5 0SA X 5 22.572 20.715 15.683 1.00 0.00 N
ATOM 110 H5N 0SA X 5 22.537 19.817 15.206 1.00 0.00 H
ATOM 111 C5N 0SA X 5 23.038 21.745 14.979 1.00 0.00 C
ATOM 112 CME 0SA X 5 23.177 21.478 13.454 1.00 0.00 C
ATOM 113 H3M 0SA X 5 23.163 20.395 13.360 1.00 0.00 H
ATOM 114 H2M 0SA X 5 24.034 22.040 13.095 1.00 0.00 H
ATOM 115 H1M 0SA X 5 22.275 21.885 12.986 1.00 0.00 H
ATOM 116 O5N 0SA X 5 23.225 22.867 15.427 1.00 0.00 O
ATOM 117 O4 0SA X 5 24.472 19.747 17.742 1.00 0.00 O
ATOM 118 H4O 0SA X 5 24.705 19.231 16.967 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 10
ATOM 1 HO1 ROH X 1 30.176 21.092 24.955 1.00 0.00 H
ATOM 2 O1 ROH X 1 30.249 21.863 25.529 1.00 0.00 O
ATOM 3 C1 4GA X 2 28.985 21.802 26.038 1.00 0.00 C
ATOM 4 H1 4GA X 2 28.841 20.954 26.708 1.00 0.00 H
ATOM 5 C2 4GA X 2 28.622 23.182 26.647 1.00 0.00 C
ATOM 6 H2 4GA X 2 28.689 23.949 25.869 1.00 0.00 H
ATOM 7 O2 4GA X 2 29.468 23.614 27.740 1.00 0.00 O
ATOM 8 H2O 4GA X 2 28.929 24.178 28.303 1.00 0.00 H
ATOM 9 C3 4GA X 2 27.123 23.239 27.108 1.00 0.00 C
ATOM 10 H3 4GA X 2 26.971 22.552 27.936 1.00 0.00 H
ATOM 11 O3 4GA X 2 26.770 24.570 27.461 1.00 0.00 O
ATOM 12 H3O 4GA X 2 25.983 24.472 28.013 1.00 0.00 H
ATOM 13 C4 4GA X 2 26.115 22.838 25.967 1.00 0.00 C
ATOM 14 H4 4GA X 2 25.924 23.677 25.291 1.00 0.00 H
ATOM 15 C5 4GA X 2 26.569 21.541 25.215 1.00 0.00 C
ATOM 16 H5 4GA X 2 26.264 20.740 25.890 1.00 0.00 H
ATOM 17 C6 4GA X 2 25.762 21.371 23.900 1.00 0.00 C
ATOM 18 H62 4GA X 2 26.091 20.467 23.376 1.00 0.00 H
ATOM 19 H61 4GA X 2 24.699 21.215 24.115 1.00 0.00 H
ATOM 20 O6 4GA X 2 25.995 22.469 23.009 1.00 0.00 O
ATOM 21 H6O 4GA X 2 25.796 22.291 22.083 1.00 0.00 H
ATOM 22 O5 4GA X 2 27.992 21.518 24.873 1.00 0.00 O
ATOM 23 O4 4GA X 2 24.810 22.528 26.577 1.00 0.00 O
ATOM 24 C1 3LB X 3 23.725 23.365 26.214 1.00 0.00 C
ATOM 25 H1 3LB X 3 23.901 23.686 25.189 1.00 0.00 H
ATOM 26 O5 3LB X 3 23.821 24.464 27.206 1.00 0.00 O
ATOM 27 C5 3LB X 3 22.657 25.427 27.173 1.00 0.00 C
ATOM 28 H5 3LB X 3 22.761 25.910 26.201 1.00 0.00 H
ATOM 29 C6 3LB X 3 23.009 26.522 28.174 1.00 0.00 C
ATOM 30 H62 3LB X 3 24.012 26.917 28.007 1.00 0.00 H
ATOM 31 H61 3LB X 3 22.995 26.068 29.163 1.00 0.00 H
ATOM 32 O6 3LB X 3 21.972 27.559 28.214 1.00 0.00 O
ATOM 33 H6O 3LB X 3 21.481 27.653 27.390 1.00 0.00 H
ATOM 34 C4 3LB X 3 21.285 24.714 27.235 1.00 0.00 C
ATOM 35 H4 3LB X 3 20.520 25.493 27.100 1.00 0.00 H
ATOM 36 O4 3LB X 3 21.158 24.043 28.537 1.00 0.00 O
ATOM 37 H4O 3LB X 3 20.271 23.734 28.737 1.00 0.00 H
ATOM 38 C3 3LB X 3 21.198 23.686 26.107 1.00 0.00 C
ATOM 39 H3 3LB X 3 21.156 24.218 25.158 1.00 0.00 H
ATOM 40 C2 3LB X 3 22.330 22.717 26.233 1.00 0.00 C
ATOM 41 H2 3LB X 3 22.190 22.240 27.203 1.00 0.00 H
ATOM 42 O2 3LB X 3 22.282 21.476 25.425 1.00 0.00 O
ATOM 43 H2O 3LB X 3 21.385 21.368 25.110 1.00 0.00 H
ATOM 44 O3 3LB X 3 19.923 22.975 26.324 1.00 0.00 O
ATOM 45 C2 8GL X 4 19.017 22.759 25.235 1.00 0.00 C
ATOM 46 C1 8GL X 4 18.282 24.126 24.759 1.00 0.00 C
ATOM 47 O1A 8GL X 4 18.319 24.558 23.579 1.00 0.00 O
ATOM 48 O1B 8GL X 4 17.788 24.784 25.711 1.00 0.00 O
ATOM 49 C3 8GL X 4 17.964 21.729 25.766 1.00 0.00 C
ATOM 50 H3E 8GL X 4 17.259 22.137 26.499 1.00 0.00 H
ATOM 51 H3A 8GL X 4 18.452 20.878 26.222 1.00 0.00 H
ATOM 52 C4 8GL X 4 17.029 21.340 24.530 1.00 0.00 C
ATOM 53 H4 8GL X 4 16.524 22.234 24.177 1.00 0.00 H
ATOM 54 O4 8GL X 4 15.956 20.518 25.034 1.00 0.00 O
ATOM 55 H4O 8GL X 4 16.234 19.686 25.416 1.00 0.00 H
ATOM 56 C5 8GL X 4 17.903 20.642 23.392 1.00 0.00 C
ATOM 57 H5 8GL X 4 18.245 19.690 23.788 1.00 0.00 H
ATOM 58 N5 8GL X 4 17.163 20.459 22.105 1.00 0.00 N
ATOM 59 H5N 8GL X 4 16.952 21.275 21.553 1.00 0.00 H
ATOM 60 C5N 8GL X 4 16.802 19.251 21.698 1.00 0.00 C
ATOM 61 CME 8GL X 4 15.848 19.166 20.354 1.00 0.00 C
ATOM 62 H2M 8GL X 4 16.323 19.664 19.516 1.00 0.00 H
ATOM 63 H1M 8GL X 4 14.941 19.764 20.513 1.00 0.00 H
ATOM 64 OHG 8GL X 4 15.398 17.884 20.008 1.00 0.00 O
ATOM 65 HOG 8GL X 4 14.447 17.912 19.894 1.00 0.00 H
ATOM 66 O5N 8GL X 4 17.185 18.211 22.295 1.00 0.00 O
ATOM 67 C6 8GL X 4 19.121 21.504 23.021 1.00 0.00 C
ATOM 68 H6 8GL X 4 18.740 22.327 22.401 1.00 0.00 H
ATOM 69 O6 8GL X 4 19.771 22.073 24.216 1.00 0.00 O
ATOM 70 C7 8GL X 4 20.142 20.694 22.275 1.00 0.00 C
ATOM 71 H7 8GL X 4 19.635 20.124 21.504 1.00 0.00 H
ATOM 72 O7 8GL X 4 20.784 19.794 23.167 1.00 0.00 O
ATOM 73 H7O 8GL X 4 21.202 19.090 22.664 1.00 0.00 H
ATOM 74 C8 8GL X 4 21.202 21.532 21.471 1.00 0.00 C
ATOM 75 H8 8GL X 4 20.741 22.367 20.955 1.00 0.00 H
ATOM 76 C9 8GL X 4 22.389 22.186 22.257 1.00 0.00 C
ATOM 77 H9S 8GL X 4 22.105 22.640 23.207 1.00 0.00 H
ATOM 78 H9R 8GL X 4 23.052 21.364 22.550 1.00 0.00 H
ATOM 79 O9 8GL X 4 23.070 23.232 21.533 1.00 0.00 O
ATOM 80 H9O 8GL X 4 23.218 22.929 20.631 1.00 0.00 H
ATOM 81 O8 8GL X 4 21.837 20.703 20.402 1.00 0.00 O
ATOM 82 C2 0SA X 5 21.789 21.198 19.091 1.00 0.00 C
ATOM 83 C1 0SA X 5 20.228 21.335 18.448 1.00 0.00 C
ATOM 84 O1A 0SA X 5 19.290 20.485 18.764 1.00 0.00 O
ATOM 85 O1B 0SA X 5 19.936 22.235 17.552 1.00 0.00 O
ATOM 86 C3 0SA X 5 22.557 20.099 18.379 1.00 0.00 C
ATOM 87 H3E 0SA X 5 21.931 19.213 18.340 1.00 0.00 H
ATOM 88 H3A 0SA X 5 23.504 19.805 18.817 1.00 0.00 H
ATOM 89 C4 0SA X 5 22.930 20.444 16.914 1.00 0.00 C
ATOM 90 H4 0SA X 5 21.988 20.737 16.443 1.00 0.00 H
ATOM 91 C5 0SA X 5 23.809 21.731 16.973 1.00 0.00 C
ATOM 92 H5 0SA X 5 24.741 21.406 17.437 1.00 0.00 H
ATOM 93 C6 0SA X 5 23.102 22.890 17.720 1.00 0.00 C
ATOM 94 H6 0SA X 5 22.261 23.296 17.156 1.00 0.00 H
ATOM 95 C7 0SA X 5 24.043 24.033 18.018 1.00 0.00 C
ATOM 96 H7 0SA X 5 24.557 24.239 17.090 1.00 0.00 H
ATOM 97 C8 0SA X 5 23.495 25.440 18.469 1.00 0.00 C
ATOM 98 H8 0SA X 5 22.765 25.203 19.248 1.00 0.00 H
ATOM 99 C9 0SA X 5 24.518 26.496 19.001 1.00 0.00 C
ATOM 100 H9S 0SA X 5 25.267 25.978 19.598 1.00 0.00 H
ATOM 101 H9R 0SA X 5 24.940 27.005 18.136 1.00 0.00 H
ATOM 102 O9 0SA X 5 23.908 27.424 19.897 1.00 0.00 O
ATOM 103 H9O 0SA X 5 23.265 27.866 19.358 1.00 0.00 H
ATOM 104 O8 0SA X 5 22.624 25.918 17.368 1.00 0.00 O
ATOM 105 H8O 0SA X 5 23.225 26.318 16.746 1.00 0.00 H
ATOM 106 O7 0SA X 5 25.163 23.659 18.885 1.00 0.00 O
ATOM 107 H7O 0SA X 5 25.916 24.266 18.851 1.00 0.00 H
ATOM 108 O6 0SA X 5 22.579 22.442 19.003 1.00 0.00 O
ATOM 109 N5 0SA X 5 24.133 22.102 15.585 1.00 0.00 N
ATOM 110 H5N 0SA X 5 23.411 22.375 14.930 1.00 0.00 H
ATOM 111 C5N 0SA X 5 25.364 22.351 15.142 1.00 0.00 C
ATOM 112 CME 0SA X 5 25.461 22.933 13.739 1.00 0.00 C
ATOM 113 H3M 0SA X 5 25.309 24.012 13.804 1.00 0.00 H
ATOM 114 H2M 0SA X 5 24.663 22.584 13.085 1.00 0.00 H
ATOM 115 H1M 0SA X 5 26.429 22.656 13.307 1.00 0.00 H
ATOM 116 O5N 0SA X 5 26.397 22.234 15.803 1.00 0.00 O
ATOM 117 O4 0SA X 5 23.474 19.274 16.253 1.00 0.00 O
ATOM 118 H4O 0SA X 5 22.830 18.566 16.248 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 11
ATOM 1 HO1 ROH X 1 27.068 20.607 30.395 1.00 0.00 H
ATOM 2 O1 ROH X 1 27.781 19.972 30.494 1.00 0.00 O
ATOM 3 C1 4GA X 2 27.209 21.267 30.319 1.00 0.00 C
ATOM 4 H1 4GA X 2 27.110 21.792 31.266 1.00 0.00 H
ATOM 5 C2 4GA X 2 28.049 22.051 29.247 1.00 0.00 C
ATOM 6 H2 4GA X 2 29.084 22.253 29.541 1.00 0.00 H
ATOM 7 O2 4GA X 2 27.413 23.385 29.103 1.00 0.00 O
ATOM 8 H2O 4GA X 2 26.569 23.286 28.671 1.00 0.00 H
ATOM 9 C3 4GA X 2 28.044 21.438 27.830 1.00 0.00 C
ATOM 10 H3 4GA X 2 28.417 22.200 27.150 1.00 0.00 H
ATOM 11 O3 4GA X 2 28.966 20.344 27.736 1.00 0.00 O
ATOM 12 H3O 4GA X 2 29.425 20.240 26.896 1.00 0.00 H
ATOM 13 C4 4GA X 2 26.601 20.988 27.412 1.00 0.00 C
ATOM 14 H4 4GA X 2 26.749 20.344 26.540 1.00 0.00 H
ATOM 15 C5 4GA X 2 25.705 20.389 28.559 1.00 0.00 C
ATOM 16 H5 4GA X 2 24.658 20.510 28.280 1.00 0.00 H
ATOM 17 C6 4GA X 2 26.228 18.958 28.639 1.00 0.00 C
ATOM 18 H62 4GA X 2 26.269 18.401 27.707 1.00 0.00 H
ATOM 19 H61 4GA X 2 27.222 18.912 29.066 1.00 0.00 H
ATOM 20 O6 4GA X 2 25.307 18.270 29.426 1.00 0.00 O
ATOM 21 H6O 4GA X 2 25.308 18.562 30.342 1.00 0.00 H
ATOM 22 O5 4GA X 2 25.895 21.131 29.871 1.00 0.00 O
ATOM 23 O4 4GA X 2 25.954 22.215 27.020 1.00 0.00 O
ATOM 24 C1 3LB X 3 24.960 22.160 25.996 1.00 0.00 C
ATOM 25 H1 3LB X 3 24.368 21.256 26.096 1.00 0.00 H
ATOM 26 O5 3LB X 3 25.589 22.015 24.652 1.00 0.00 O
ATOM 27 C5 3LB X 3 24.659 21.769 23.531 1.00 0.00 C
ATOM 28 H5 3LB X 3 24.105 20.877 23.832 1.00 0.00 H
ATOM 29 C6 3LB X 3 25.526 21.546 22.302 1.00 0.00 C
ATOM 30 H62 3LB X 3 26.563 21.423 22.596 1.00 0.00 H
ATOM 31 H61 3LB X 3 25.267 22.336 21.606 1.00 0.00 H
ATOM 32 O6 3LB X 3 25.011 20.359 21.660 1.00 0.00 O
ATOM 33 H6O 3LB X 3 24.088 20.430 21.409 1.00 0.00 H
ATOM 34 C4 3LB X 3 23.766 23.078 23.366 1.00 0.00 C
ATOM 35 H4 3LB X 3 22.966 22.884 22.649 1.00 0.00 H
ATOM 36 O4 3LB X 3 24.533 24.218 22.951 1.00 0.00 O
ATOM 37 H4O 3LB X 3 23.956 24.909 22.629 1.00 0.00 H
ATOM 38 C3 3LB X 3 23.105 23.337 24.701 1.00 0.00 C
ATOM 39 H3 3LB X 3 22.299 22.645 24.907 1.00 0.00 H
ATOM 40 C2 3LB X 3 24.078 23.420 25.933 1.00 0.00 C
ATOM 41 H2 3LB X 3 24.832 24.192 25.832 1.00 0.00 H
ATOM 42 O2 3LB X 3 23.400 23.690 27.196 1.00 0.00 O
ATOM 43 H2O 3LB X 3 22.747 23.000 27.325 1.00 0.00 H
ATOM 44 O3 3LB X 3 22.477 24.739 24.578 1.00 0.00 O
ATOM 45 C2 8GL X 4 21.052 24.833 24.266 1.00 0.00 C
ATOM 46 C1 8GL X 4 20.695 26.329 23.995 1.00 0.00 C
ATOM 47 O1A 8GL X 4 20.958 27.215 24.856 1.00 0.00 O
ATOM 48 O1B 8GL X 4 19.894 26.560 23.047 1.00 0.00 O
ATOM 49 C3 8GL X 4 20.342 24.428 25.614 1.00 0.00 C
ATOM 50 H3E 8GL X 4 20.546 25.057 26.479 1.00 0.00 H
ATOM 51 H3A 8GL X 4 20.780 23.470 25.865 1.00 0.00 H
ATOM 52 C4 8GL X 4 18.862 24.160 25.401 1.00 0.00 C
ATOM 53 H4 8GL X 4 18.270 25.043 25.171 1.00 0.00 H
ATOM 54 O4 8GL X 4 18.241 23.802 26.666 1.00 0.00 O
ATOM 55 H4O 8GL X 4 17.299 23.642 26.573 1.00 0.00 H
ATOM 56 C5 8GL X 4 18.656 23.136 24.234 1.00 0.00 C
ATOM 57 H5 8GL X 4 19.006 22.142 24.535 1.00 0.00 H
ATOM 58 N5 8GL X 4 17.207 23.001 23.953 1.00 0.00 N
ATOM 59 H5N 8GL X 4 16.665 23.784 23.606 1.00 0.00 H
ATOM 60 C5N 8GL X 4 16.514 21.881 24.343 1.00 0.00 C
ATOM 61 CME 8GL X 4 14.989 21.905 24.020 1.00 0.00 C
ATOM 62 H2M 8GL X 4 14.848 22.430 23.076 1.00 0.00 H
ATOM 63 H1M 8GL X 4 14.541 22.613 24.729 1.00 0.00 H
ATOM 64 OHG 8GL X 4 14.246 20.639 23.971 1.00 0.00 O
ATOM 65 HOG 8GL X 4 13.672 20.580 24.732 1.00 0.00 H
ATOM 66 O5N 8GL X 4 17.112 20.874 24.809 1.00 0.00 O
ATOM 67 C6 8GL X 4 19.378 23.560 22.946 1.00 0.00 C
ATOM 68 H6 8GL X 4 18.901 24.536 22.775 1.00 0.00 H
ATOM 69 O6 8GL X 4 20.716 23.896 23.197 1.00 0.00 O
ATOM 70 C7 8GL X 4 19.205 22.675 21.733 1.00 0.00 C
ATOM 71 H7 8GL X 4 18.133 22.567 21.534 1.00 0.00 H
ATOM 72 O7 8GL X 4 19.817 21.381 21.924 1.00 0.00 O
ATOM 73 H7O 8GL X 4 20.776 21.376 21.942 1.00 0.00 H
ATOM 74 C8 8GL X 4 19.612 23.204 20.365 1.00 0.00 C
ATOM 75 H8 8GL X 4 19.197 22.479 19.658 1.00 0.00 H
ATOM 76 C9 8GL X 4 18.879 24.532 19.966 1.00 0.00 C
ATOM 77 H9S 8GL X 4 17.804 24.386 20.040 1.00 0.00 H
ATOM 78 H9R 8GL X 4 19.136 25.408 20.568 1.00 0.00 H
ATOM 79 O9 8GL X 4 19.136 24.813 18.592 1.00 0.00 O
ATOM 80 H9O 8GL X 4 20.051 24.609 18.401 1.00 0.00 H
ATOM 81 O8 8GL X 4 21.057 23.394 20.326 1.00 0.00 O
ATOM 82 C2 0SA X 5 21.935 22.638 19.499 1.00 0.00 C
ATOM 83 C1 0SA X 5 22.496 21.202 20.048 1.00 0.00 C
ATOM 84 O1A 0SA X 5 22.474 20.983 21.291 1.00 0.00 O
ATOM 85 O1B 0SA X 5 22.957 20.303 19.310 1.00 0.00 O
ATOM 86 C3 0SA X 5 23.122 23.578 19.279 1.00 0.00 C
ATOM 87 H3E 0SA X 5 23.672 23.615 20.218 1.00 0.00 H
ATOM 88 H3A 0SA X 5 22.847 24.624 19.123 1.00 0.00 H
ATOM 89 C4 0SA X 5 24.057 23.208 18.122 1.00 0.00 C
ATOM 90 H4 0SA X 5 24.625 22.313 18.399 1.00 0.00 H
ATOM 91 C5 0SA X 5 23.318 22.857 16.847 1.00 0.00 C
ATOM 92 H5 0SA X 5 23.112 23.761 16.286 1.00 0.00 H
ATOM 93 C6 0SA X 5 21.984 22.018 17.065 1.00 0.00 C
ATOM 94 H6 0SA X 5 22.399 21.053 17.350 1.00 0.00 H
ATOM 95 C7 0SA X 5 21.070 21.931 15.856 1.00 0.00 C
ATOM 96 H7 0SA X 5 21.480 21.175 15.188 1.00 0.00 H
ATOM 97 C8 0SA X 5 19.568 21.525 16.095 1.00 0.00 C
ATOM 98 H8 0SA X 5 19.102 22.243 16.786 1.00 0.00 H
ATOM 99 C9 0SA X 5 18.596 21.587 14.837 1.00 0.00 C
ATOM 100 H9S 0SA X 5 18.798 22.510 14.289 1.00 0.00 H
ATOM 101 H9R 0SA X 5 18.738 20.672 14.267 1.00 0.00 H
ATOM 102 O9 0SA X 5 17.263 21.611 15.362 1.00 0.00 O
ATOM 103 H9O 0SA X 5 16.647 21.774 14.641 1.00 0.00 H
ATOM 104 O8 0SA X 5 19.577 20.211 16.764 1.00 0.00 O
ATOM 105 H8O 0SA X 5 18.748 20.153 17.243 1.00 0.00 H
ATOM 106 O7 0SA X 5 21.053 23.188 15.180 1.00 0.00 O
ATOM 107 H7O 0SA X 5 21.873 23.472 14.770 1.00 0.00 H
ATOM 108 O6 0SA X 5 21.317 22.623 18.232 1.00 0.00 O
ATOM 109 N5 0SA X 5 24.201 22.170 15.879 1.00 0.00 N
ATOM 110 H5N 0SA X 5 24.829 21.593 16.423 1.00 0.00 H
ATOM 111 C5N 0SA X 5 24.196 22.263 14.571 1.00 0.00 C
ATOM 112 CME 0SA X 5 24.991 21.095 13.807 1.00 0.00 C
ATOM 113 H3M 0SA X 5 24.901 21.259 12.733 1.00 0.00 H
ATOM 114 H2M 0SA X 5 24.585 20.085 13.896 1.00 0.00 H
ATOM 115 H1M 0SA X 5 26.051 21.057 14.033 1.00 0.00 H
ATOM 116 O5N 0SA X 5 23.599 23.113 13.974 1.00 0.00 O
ATOM 117 O4 0SA X 5 24.991 24.293 17.951 1.00 0.00 O
ATOM 118 H4O 0SA X 5 25.788 23.854 18.247 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 12
ATOM 1 HO1 ROH X 1 28.733 17.355 26.786 1.00 0.00 H
ATOM 2 O1 ROH X 1 27.880 17.607 27.165 1.00 0.00 O
ATOM 3 C1 4GA X 2 26.994 18.688 26.846 1.00 0.00 C
ATOM 4 H1 4GA X 2 26.901 18.642 25.765 1.00 0.00 H
ATOM 5 C2 4GA X 2 25.561 18.622 27.457 1.00 0.00 C
ATOM 6 H2 4GA X 2 25.634 18.626 28.545 1.00 0.00 H
ATOM 7 O2 4GA X 2 24.820 17.423 27.077 1.00 0.00 O
ATOM 8 H2O 4GA X 2 24.767 17.499 26.119 1.00 0.00 H
ATOM 9 C3 4GA X 2 24.832 19.916 27.036 1.00 0.00 C
ATOM 10 H3 4GA X 2 24.728 19.843 25.945 1.00 0.00 H
ATOM 11 O3 4GA X 2 23.469 19.864 27.578 1.00 0.00 O
ATOM 12 H3O 4GA X 2 23.063 19.022 27.371 1.00 0.00 H
ATOM 13 C4 4GA X 2 25.467 21.199 27.426 1.00 0.00 C
ATOM 14 H4 4GA X 2 25.533 21.118 28.510 1.00 0.00 H
ATOM 15 C5 4GA X 2 26.867 21.302 26.820 1.00 0.00 C
ATOM 16 H5 4GA X 2 26.916 21.288 25.726 1.00 0.00 H
ATOM 17 C6 4GA X 2 27.687 22.561 27.178 1.00 0.00 C
ATOM 18 H62 4GA X 2 27.283 23.519 26.844 1.00 0.00 H
ATOM 19 H61 4GA X 2 27.943 22.682 28.225 1.00 0.00 H
ATOM 20 O6 4GA X 2 28.998 22.464 26.635 1.00 0.00 O
ATOM 21 H6O 4GA X 2 29.601 22.097 27.286 1.00 0.00 H
ATOM 22 O5 4GA X 2 27.601 20.023 27.198 1.00 0.00 O
ATOM 23 O4 4GA X 2 24.651 22.448 27.187 1.00 0.00 O
ATOM 24 C1 3LB X 3 23.952 22.621 25.951 1.00 0.00 C
ATOM 25 H1 3LB X 3 23.421 21.735 25.600 1.00 0.00 H
ATOM 26 O5 3LB X 3 24.944 22.988 24.948 1.00 0.00 O
ATOM 27 C5 3LB X 3 24.615 23.495 23.625 1.00 0.00 C
ATOM 28 H5 3LB X 3 24.189 22.662 23.065 1.00 0.00 H
ATOM 29 C6 3LB X 3 25.843 23.936 22.770 1.00 0.00 C
ATOM 30 H62 3LB X 3 25.578 24.232 21.753 1.00 0.00 H
ATOM 31 H61 3LB X 3 26.549 23.114 22.627 1.00 0.00 H
ATOM 32 O6 3LB X 3 26.643 24.907 23.442 1.00 0.00 O
ATOM 33 H6O 3LB X 3 25.977 25.424 23.914 1.00 0.00 H
ATOM 34 C4 3LB X 3 23.550 24.606 23.762 1.00 0.00 C
ATOM 35 H4 3LB X 3 23.229 24.967 22.789 1.00 0.00 H
ATOM 36 O4 3LB X 3 24.192 25.867 24.305 1.00 0.00 O
ATOM 37 H4O 3LB X 3 23.558 26.585 24.339 1.00 0.00 H
ATOM 38 C3 3LB X 3 22.416 24.167 24.658 1.00 0.00 C
ATOM 39 H3 3LB X 3 21.943 23.313 24.167 1.00 0.00 H
ATOM 40 C2 3LB X 3 22.870 23.675 26.014 1.00 0.00 C
ATOM 41 H2 3LB X 3 23.291 24.503 26.581 1.00 0.00 H
ATOM 42 O2 3LB X 3 21.704 23.229 26.773 1.00 0.00 O
ATOM 43 H2O 3LB X 3 22.017 22.876 27.612 1.00 0.00 H
ATOM 44 O3 3LB X 3 21.353 25.231 24.712 1.00 0.00 O
ATOM 45 C2 8GL X 4 20.611 25.694 23.556 1.00 0.00 C
ATOM 46 C1 8GL X 4 21.359 26.958 22.775 1.00 0.00 C
ATOM 47 O1A 8GL X 4 22.147 27.706 23.351 1.00 0.00 O
ATOM 48 O1B 8GL X 4 20.985 27.233 21.626 1.00 0.00 O
ATOM 49 C3 8GL X 4 19.418 26.363 24.295 1.00 0.00 C
ATOM 50 H3E 8GL X 4 18.975 27.203 23.759 1.00 0.00 H
ATOM 51 H3A 8GL X 4 19.721 26.906 25.196 1.00 0.00 H
ATOM 52 C4 8GL X 4 18.175 25.468 24.705 1.00 0.00 C
ATOM 53 H4 8GL X 4 17.306 25.729 24.114 1.00 0.00 H
ATOM 54 O4 8GL X 4 17.965 25.585 26.175 1.00 0.00 O
ATOM 55 H4O 8GL X 4 17.660 26.487 26.323 1.00 0.00 H
ATOM 56 C5 8GL X 4 18.427 23.953 24.401 1.00 0.00 C
ATOM 57 H5 8GL X 4 19.236 23.666 25.079 1.00 0.00 H
ATOM 58 N5 8GL X 4 17.192 23.134 24.519 1.00 0.00 N
ATOM 59 H5N 8GL X 4 16.606 23.155 23.691 1.00 0.00 H
ATOM 60 C5N 8GL X 4 16.984 22.194 25.466 1.00 0.00 C
ATOM 61 CME 8GL X 4 15.618 21.398 25.311 1.00 0.00 C
ATOM 62 H2M 8GL X 4 15.413 21.099 24.282 1.00 0.00 H
ATOM 63 H1M 8GL X 4 14.830 22.117 25.562 1.00 0.00 H
ATOM 64 OHG 8GL X 4 15.405 20.252 26.214 1.00 0.00 O
ATOM 65 HOG 8GL X 4 15.444 20.639 27.087 1.00 0.00 H
ATOM 66 O5N 8GL X 4 17.795 22.035 26.405 1.00 0.00 O
ATOM 67 C6 8GL X 4 19.009 23.880 22.975 1.00 0.00 C
ATOM 68 H6 8GL X 4 18.267 24.423 22.387 1.00 0.00 H
ATOM 69 O6 8GL X 4 20.244 24.609 22.750 1.00 0.00 O
ATOM 70 C7 8GL X 4 19.149 22.446 22.415 1.00 0.00 C
ATOM 71 H7 8GL X 4 18.153 22.018 22.546 1.00 0.00 H
ATOM 72 O7 8GL X 4 19.890 21.648 23.330 1.00 0.00 O
ATOM 73 H7O 8GL X 4 20.804 21.582 23.033 1.00 0.00 H
ATOM 74 C8 8GL X 4 19.534 22.152 20.939 1.00 0.00 C
ATOM 75 H8 8GL X 4 19.664 21.069 20.899 1.00 0.00 H
ATOM 76 C9 8GL X 4 18.271 22.619 20.032 1.00 0.00 C
ATOM 77 H9S 8GL X 4 17.444 21.957 20.287 1.00 0.00 H
ATOM 78 H9R 8GL X 4 18.000 23.629 20.314 1.00 0.00 H
ATOM 79 O9 8GL X 4 18.662 22.561 18.628 1.00 0.00 O
ATOM 80 H9O 8GL X 4 19.606 22.405 18.565 1.00 0.00 H
ATOM 81 O8 8GL X 4 20.688 22.898 20.549 1.00 0.00 O
ATOM 82 C2 0SA X 5 21.837 22.173 20.016 1.00 0.00 C
ATOM 83 C1 0SA X 5 22.525 21.185 21.032 1.00 0.00 C
ATOM 84 O1A 0SA X 5 23.485 20.481 20.648 1.00 0.00 O
ATOM 85 O1B 0SA X 5 22.280 21.366 22.271 1.00 0.00 O
ATOM 86 C3 0SA X 5 22.848 23.350 19.824 1.00 0.00 C
ATOM 87 H3E 0SA X 5 23.330 23.754 20.725 1.00 0.00 H
ATOM 88 H3A 0SA X 5 22.298 24.142 19.318 1.00 0.00 H
ATOM 89 C4 0SA X 5 24.002 22.936 18.897 1.00 0.00 C
ATOM 90 H4 0SA X 5 24.626 22.142 19.290 1.00 0.00 H
ATOM 91 C5 0SA X 5 23.554 22.428 17.524 1.00 0.00 C
ATOM 92 H5 0SA X 5 23.314 23.264 16.879 1.00 0.00 H
ATOM 93 C6 0SA X 5 22.387 21.386 17.699 1.00 0.00 C
ATOM 94 H6 0SA X 5 22.793 20.418 17.993 1.00 0.00 H
ATOM 95 C7 0SA X 5 21.628 21.179 16.397 1.00 0.00 C
ATOM 96 H7 0SA X 5 22.332 20.886 15.629 1.00 0.00 H
ATOM 97 C8 0SA X 5 20.572 20.004 16.526 1.00 0.00 C
ATOM 98 H8 0SA X 5 19.866 20.384 17.274 1.00 0.00 H
ATOM 99 C9 0SA X 5 19.737 19.580 15.301 1.00 0.00 C
ATOM 100 H9S 0SA X 5 19.225 18.657 15.597 1.00 0.00 H
ATOM 101 H9R 0SA X 5 18.980 20.322 15.067 1.00 0.00 H
ATOM 102 O9 0SA X 5 20.701 19.399 14.246 1.00 0.00 O
ATOM 103 H9O 0SA X 5 20.236 18.975 13.522 1.00 0.00 H
ATOM 104 O8 0SA X 5 21.219 18.780 17.068 1.00 0.00 O
ATOM 105 H8O 0SA X 5 21.992 18.814 16.510 1.00 0.00 H
ATOM 106 O7 0SA X 5 21.034 22.414 15.979 1.00 0.00 O
ATOM 107 H7O 0SA X 5 21.364 22.737 15.140 1.00 0.00 H
ATOM 108 O6 0SA X 5 21.443 21.818 18.677 1.00 0.00 O
ATOM 109 N5 0SA X 5 24.678 21.789 16.805 1.00 0.00 N
ATOM 110 H5N 0SA X 5 25.088 20.972 17.246 1.00 0.00 H
ATOM 111 C5N 0SA X 5 25.239 22.357 15.744 1.00 0.00 C
ATOM 112 CME 0SA X 5 26.306 21.474 15.016 1.00 0.00 C
ATOM 113 H3M 0SA X 5 25.876 20.563 14.596 1.00 0.00 H
ATOM 114 H2M 0SA X 5 27.070 21.203 15.747 1.00 0.00 H
ATOM 115 H1M 0SA X 5 26.788 22.012 14.201 1.00 0.00 H
ATOM 116 O5N 0SA X 5 24.869 23.461 15.292 1.00 0.00 O
ATOM 117 O4 0SA X 5 24.806 24.165 18.778 1.00 0.00 O
ATOM 118 H4O 0SA X 5 24.591 24.802 19.462 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 13
ATOM 1 HO1 ROH X 1 29.321 18.488 27.135 1.00 0.00 H
ATOM 2 O1 ROH X 1 29.601 19.075 27.847 1.00 0.00 O
ATOM 3 C1 4GA X 2 28.214 19.321 28.202 1.00 0.00 C
ATOM 4 H1 4GA X 2 27.844 18.434 28.718 1.00 0.00 H
ATOM 5 C2 4GA X 2 27.957 20.598 29.043 1.00 0.00 C
ATOM 6 H2 4GA X 2 28.529 21.405 28.585 1.00 0.00 H
ATOM 7 O2 4GA X 2 28.607 20.399 30.389 1.00 0.00 O
ATOM 8 H2O 4GA X 2 28.444 21.190 30.903 1.00 0.00 H
ATOM 9 C3 4GA X 2 26.473 20.981 29.083 1.00 0.00 C
ATOM 10 H3 4GA X 2 25.795 20.250 29.521 1.00 0.00 H
ATOM 11 O3 4GA X 2 26.179 22.211 29.836 1.00 0.00 O
ATOM 12 H3O 4GA X 2 26.602 22.951 29.392 1.00 0.00 H
ATOM 13 C4 4GA X 2 25.996 21.195 27.656 1.00 0.00 C
ATOM 14 H4 4GA X 2 26.463 21.993 27.078 1.00 0.00 H
ATOM 15 C5 4GA X 2 26.216 19.947 26.778 1.00 0.00 C
ATOM 16 H5 4GA X 2 25.575 19.197 27.243 1.00 0.00 H
ATOM 17 C6 4GA X 2 25.944 20.028 25.261 1.00 0.00 C
ATOM 18 H62 4GA X 2 26.500 19.296 24.679 1.00 0.00 H
ATOM 19 H61 4GA X 2 24.882 19.873 25.057 1.00 0.00 H
ATOM 20 O6 4GA X 2 26.244 21.338 24.827 1.00 0.00 O
ATOM 21 H6O 4GA X 2 26.759 21.195 24.028 1.00 0.00 H
ATOM 22 O5 4GA X 2 27.550 19.415 26.929 1.00 0.00 O
ATOM 23 O4 4GA X 2 24.544 21.467 27.743 1.00 0.00 O
ATOM 24 C1 3LB X 3 24.173 22.647 26.916 1.00 0.00 C
ATOM 25 H1 3LB X 3 24.783 22.758 26.029 1.00 0.00 H
ATOM 26 O5 3LB X 3 24.453 23.742 27.763 1.00 0.00 O
ATOM 27 C5 3LB X 3 23.724 24.992 27.539 1.00 0.00 C
ATOM 28 H5 3LB X 3 24.115 25.444 26.626 1.00 0.00 H
ATOM 29 C6 3LB X 3 24.141 26.049 28.564 1.00 0.00 C
ATOM 30 H62 3LB X 3 24.159 25.770 29.620 1.00 0.00 H
ATOM 31 H61 3LB X 3 23.401 26.837 28.485 1.00 0.00 H
ATOM 32 O6 3LB X 3 25.462 26.576 28.224 1.00 0.00 O
ATOM 33 H6O 3LB X 3 25.334 27.132 27.460 1.00 0.00 H
ATOM 34 C4 3LB X 3 22.186 24.923 27.503 1.00 0.00 C
ATOM 35 H4 3LB X 3 21.775 25.915 27.317 1.00 0.00 H
ATOM 36 O4 3LB X 3 21.650 24.278 28.693 1.00 0.00 O
ATOM 37 H4O 3LB X 3 20.745 23.988 28.577 1.00 0.00 H
ATOM 38 C3 3LB X 3 21.979 24.043 26.299 1.00 0.00 C
ATOM 39 H3 3LB X 3 22.572 24.443 25.472 1.00 0.00 H
ATOM 40 C2 3LB X 3 22.624 22.619 26.493 1.00 0.00 C
ATOM 41 H2 3LB X 3 22.121 22.102 27.309 1.00 0.00 H
ATOM 42 O2 3LB X 3 22.562 21.752 25.342 1.00 0.00 O
ATOM 43 H2O 3LB X 3 22.597 22.353 24.584 1.00 0.00 H
ATOM 44 O3 3LB X 3 20.494 23.986 26.024 1.00 0.00 O
ATOM 45 C2 8GL X 4 20.191 24.455 24.698 1.00 0.00 C
ATOM 46 C1 8GL X 4 20.617 26.015 24.405 1.00 0.00 C
ATOM 47 O1A 8GL X 4 20.555 26.880 25.330 1.00 0.00 O
ATOM 48 O1B 8GL X 4 21.097 26.341 23.284 1.00 0.00 O
ATOM 49 C3 8GL X 4 18.699 24.378 24.670 1.00 0.00 C
ATOM 50 H3E 8GL X 4 18.207 25.160 25.259 1.00 0.00 H
ATOM 51 H3A 8GL X 4 18.236 23.505 25.138 1.00 0.00 H
ATOM 52 C4 8GL X 4 18.118 24.412 23.223 1.00 0.00 C
ATOM 53 H4 8GL X 4 18.512 25.278 22.700 1.00 0.00 H
ATOM 54 O4 8GL X 4 16.612 24.419 23.275 1.00 0.00 O
ATOM 55 H4O 8GL X 4 16.204 23.545 23.234 1.00 0.00 H
ATOM 56 C5 8GL X 4 18.695 23.242 22.420 1.00 0.00 C
ATOM 57 H5 8GL X 4 18.385 22.343 22.951 1.00 0.00 H
ATOM 58 N5 8GL X 4 18.208 23.240 21.039 1.00 0.00 N
ATOM 59 H5N 8GL X 4 18.472 24.039 20.493 1.00 0.00 H
ATOM 60 C5N 8GL X 4 17.560 22.171 20.433 1.00 0.00 C
ATOM 61 CME 8GL X 4 17.270 22.231 18.834 1.00 0.00 C
ATOM 62 H2M 8GL X 4 18.233 22.482 18.387 1.00 0.00 H
ATOM 63 H1M 8GL X 4 16.528 22.992 18.609 1.00 0.00 H
ATOM 64 OHG 8GL X 4 16.759 21.048 18.266 1.00 0.00 O
ATOM 65 HOG 8GL X 4 17.438 20.358 18.235 1.00 0.00 H
ATOM 66 O5N 8GL X 4 17.249 21.206 21.159 1.00 0.00 O
ATOM 67 C6 8GL X 4 20.224 23.243 22.439 1.00 0.00 C
ATOM 68 H6 8GL X 4 20.550 24.183 21.977 1.00 0.00 H
ATOM 69 O6 8GL X 4 20.651 23.325 23.849 1.00 0.00 O
ATOM 70 C7 8GL X 4 20.904 22.035 21.799 1.00 0.00 C
ATOM 71 H7 8GL X 4 20.444 21.933 20.821 1.00 0.00 H
ATOM 72 O7 8GL X 4 20.558 20.764 22.472 1.00 0.00 O
ATOM 73 H7O 8GL X 4 20.790 20.094 21.827 1.00 0.00 H
ATOM 74 C8 8GL X 4 22.421 22.058 21.415 1.00 0.00 C
ATOM 75 H8 8GL X 4 22.582 22.975 20.859 1.00 0.00 H
ATOM 76 C9 8GL X 4 23.517 22.136 22.426 1.00 0.00 C
ATOM 77 H9S 8GL X 4 23.507 21.179 22.954 1.00 0.00 H
ATOM 78 H9R 8GL X 4 24.459 22.244 21.888 1.00 0.00 H
ATOM 79 O9 8GL X 4 23.319 23.231 23.348 1.00 0.00 O
ATOM 80 H9O 8GL X 4 23.712 24.029 23.005 1.00 0.00 H
ATOM 81 O8 8GL X 4 22.713 20.879 20.465 1.00 0.00 O
ATOM 82 C2 0SA X 5 22.058 20.790 19.156 1.00 0.00 C
ATOM 83 C1 0SA X 5 20.723 19.912 19.234 1.00 0.00 C
ATOM 84 O1A 0SA X 5 20.550 19.224 20.255 1.00 0.00 O
ATOM 85 O1B 0SA X 5 19.791 19.969 18.374 1.00 0.00 O
ATOM 86 C3 0SA X 5 23.063 19.899 18.363 1.00 0.00 C
ATOM 87 H3E 0SA X 5 23.208 18.892 18.733 1.00 0.00 H
ATOM 88 H3A 0SA X 5 24.097 20.226 18.393 1.00 0.00 H
ATOM 89 C4 0SA X 5 22.576 19.846 16.923 1.00 0.00 C
ATOM 90 H4 0SA X 5 21.580 19.403 16.954 1.00 0.00 H
ATOM 91 C5 0SA X 5 22.530 21.242 16.309 1.00 0.00 C
ATOM 92 H5 0SA X 5 23.560 21.588 16.326 1.00 0.00 H
ATOM 93 C6 0SA X 5 21.726 22.229 17.211 1.00 0.00 C
ATOM 94 H6 0SA X 5 20.679 21.939 17.126 1.00 0.00 H
ATOM 95 C7 0SA X 5 21.878 23.663 16.760 1.00 0.00 C
ATOM 96 H7 0SA X 5 21.741 23.714 15.675 1.00 0.00 H
ATOM 97 C8 0SA X 5 20.838 24.636 17.450 1.00 0.00 C
ATOM 98 H8 0SA X 5 20.838 24.556 18.538 1.00 0.00 H
ATOM 99 C9 0SA X 5 21.057 26.141 17.035 1.00 0.00 C
ATOM 100 H9S 0SA X 5 22.034 26.437 17.414 1.00 0.00 H
ATOM 101 H9R 0SA X 5 21.029 26.374 15.963 1.00 0.00 H
ATOM 102 O9 0SA X 5 19.969 27.000 17.619 1.00 0.00 O
ATOM 103 H9O 0SA X 5 19.221 26.416 17.744 1.00 0.00 H
ATOM 104 O8 0SA X 5 19.549 24.179 16.864 1.00 0.00 O
ATOM 105 H8O 0SA X 5 18.794 24.713 17.130 1.00 0.00 H
ATOM 106 O7 0SA X 5 23.262 24.171 16.954 1.00 0.00 O
ATOM 107 H7O 0SA X 5 23.595 23.974 17.834 1.00 0.00 H
ATOM 108 O6 0SA X 5 22.019 22.124 18.640 1.00 0.00 O
ATOM 109 N5 0SA X 5 22.160 21.143 14.851 1.00 0.00 N
ATOM 110 H5N 0SA X 5 21.344 20.611 14.573 1.00 0.00 H
ATOM 111 C5N 0SA X 5 22.975 21.524 13.848 1.00 0.00 C
ATOM 112 CME 0SA X 5 22.363 21.488 12.340 1.00 0.00 C
ATOM 113 H3M 0SA X 5 21.532 22.196 12.278 1.00 0.00 H
ATOM 114 H2M 0SA X 5 22.127 20.456 12.062 1.00 0.00 H
ATOM 115 H1M 0SA X 5 23.228 21.722 11.724 1.00 0.00 H
ATOM 116 O5N 0SA X 5 24.120 21.990 14.116 1.00 0.00 O
ATOM 117 O4 0SA X 5 23.474 18.894 16.214 1.00 0.00 O
ATOM 118 H4O 0SA X 5 24.199 19.393 15.827 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 14
ATOM 1 HO1 ROH X 1 23.770 21.875 33.151 1.00 0.00 H
ATOM 2 O1 ROH X 1 24.609 21.532 32.852 1.00 0.00 O
ATOM 3 C1 4GA X 2 24.806 22.445 31.886 1.00 0.00 C
ATOM 4 H1 4GA X 2 25.138 23.414 32.250 1.00 0.00 H
ATOM 5 C2 4GA X 2 25.807 21.743 30.877 1.00 0.00 C
ATOM 6 H2 4GA X 2 25.322 20.773 30.766 1.00 0.00 H
ATOM 7 O2 4GA X 2 27.094 21.592 31.472 1.00 0.00 O
ATOM 8 H2O 4GA X 2 27.691 21.569 30.725 1.00 0.00 H
ATOM 9 C3 4GA X 2 25.983 22.462 29.553 1.00 0.00 C
ATOM 10 H3 4GA X 2 26.489 23.382 29.826 1.00 0.00 H
ATOM 11 O3 4GA X 2 26.879 21.739 28.623 1.00 0.00 O
ATOM 12 H3O 4GA X 2 26.669 22.053 27.744 1.00 0.00 H
ATOM 13 C4 4GA X 2 24.666 22.765 28.904 1.00 0.00 C
ATOM 14 H4 4GA X 2 24.260 21.807 28.590 1.00 0.00 H
ATOM 15 C5 4GA X 2 23.608 23.478 29.893 1.00 0.00 C
ATOM 16 H5 4GA X 2 23.859 24.493 30.190 1.00 0.00 H
ATOM 17 C6 4GA X 2 22.196 23.691 29.314 1.00 0.00 C
ATOM 18 H62 4GA X 2 21.533 24.099 30.082 1.00 0.00 H
ATOM 19 H61 4GA X 2 22.236 24.487 28.571 1.00 0.00 H
ATOM 20 O6 4GA X 2 21.630 22.475 28.799 1.00 0.00 O
ATOM 21 H6O 4GA X 2 21.210 22.626 27.946 1.00 0.00 H
ATOM 22 O5 4GA X 2 23.570 22.810 31.207 1.00 0.00 O
ATOM 23 O4 4GA X 2 24.925 23.706 27.776 1.00 0.00 O
ATOM 24 C1 3LB X 3 24.668 23.036 26.429 1.00 0.00 C
ATOM 25 H1 3LB X 3 23.833 22.355 26.554 1.00 0.00 H
ATOM 26 O5 3LB X 3 25.877 22.357 26.091 1.00 0.00 O
ATOM 27 C5 3LB X 3 25.850 21.851 24.745 1.00 0.00 C
ATOM 28 H5 3LB X 3 25.082 21.079 24.702 1.00 0.00 H
ATOM 29 C6 3LB X 3 27.242 21.200 24.526 1.00 0.00 C
ATOM 30 H62 3LB X 3 28.075 21.770 24.938 1.00 0.00 H
ATOM 31 H61 3LB X 3 27.471 20.977 23.486 1.00 0.00 H
ATOM 32 O6 3LB X 3 27.379 20.040 25.328 1.00 0.00 O
ATOM 33 H6O 3LB X 3 28.233 19.623 25.215 1.00 0.00 H
ATOM 34 C4 3LB X 3 25.538 22.937 23.692 1.00 0.00 C
ATOM 35 H4 3LB X 3 25.375 22.369 22.769 1.00 0.00 H
ATOM 36 O4 3LB X 3 26.619 23.854 23.603 1.00 0.00 O
ATOM 37 H4O 3LB X 3 26.370 24.441 22.883 1.00 0.00 H
ATOM 38 C3 3LB X 3 24.265 23.691 23.997 1.00 0.00 C
ATOM 39 H3 3LB X 3 23.400 23.024 23.978 1.00 0.00 H
ATOM 40 C2 3LB X 3 24.259 24.198 25.479 1.00 0.00 C
ATOM 41 H2 3LB X 3 24.979 25.010 25.487 1.00 0.00 H
ATOM 42 O2 3LB X 3 22.874 24.555 25.876 1.00 0.00 O
ATOM 43 H2O 3LB X 3 22.936 25.364 26.390 1.00 0.00 H
ATOM 44 O3 3LB X 3 23.943 24.864 23.127 1.00 0.00 O
ATOM 45 C2 8GL X 4 23.685 24.777 21.696 1.00 0.00 C
ATOM 46 C1 8GL X 4 25.023 25.028 20.834 1.00 0.00 C
ATOM 47 O1A 8GL X 4 26.081 25.284 21.426 1.00 0.00 O
ATOM 48 O1B 8GL X 4 24.997 24.957 19.544 1.00 0.00 O
ATOM 49 C3 8GL X 4 22.733 25.888 21.346 1.00 0.00 C
ATOM 50 H3E 8GL X 4 22.760 26.027 20.269 1.00 0.00 H
ATOM 51 H3A 8GL X 4 23.094 26.824 21.765 1.00 0.00 H
ATOM 52 C4 8GL X 4 21.187 25.676 21.730 1.00 0.00 C
ATOM 53 H4 8GL X 4 20.531 25.967 20.910 1.00 0.00 H
ATOM 54 O4 8GL X 4 20.934 26.670 22.750 1.00 0.00 O
ATOM 55 H4O 8GL X 4 20.354 27.298 22.319 1.00 0.00 H
ATOM 56 C5 8GL X 4 20.833 24.237 22.212 1.00 0.00 C
ATOM 57 H5 8GL X 4 21.234 24.171 23.218 1.00 0.00 H
ATOM 58 N5 8GL X 4 19.329 24.055 22.148 1.00 0.00 N
ATOM 59 H5N 8GL X 4 18.729 24.451 21.447 1.00 0.00 H
ATOM 60 C5N 8GL X 4 18.672 23.430 23.084 1.00 0.00 C
ATOM 61 CME 8GL X 4 17.090 23.451 22.860 1.00 0.00 C
ATOM 62 H2M 8GL X 4 16.835 23.061 21.872 1.00 0.00 H
ATOM 63 H1M 8GL X 4 16.772 24.493 22.950 1.00 0.00 H
ATOM 64 OHG 8GL X 4 16.282 22.726 23.741 1.00 0.00 O
ATOM 65 HOG 8GL X 4 16.273 21.813 23.445 1.00 0.00 H
ATOM 66 O5N 8GL X 4 19.169 22.870 24.071 1.00 0.00 O
ATOM 67 C6 8GL X 4 21.635 23.182 21.373 1.00 0.00 C
ATOM 68 H6 8GL X 4 21.284 23.352 20.354 1.00 0.00 H
ATOM 69 O6 8GL X 4 23.043 23.530 21.367 1.00 0.00 O
ATOM 70 C7 8GL X 4 21.395 21.722 21.645 1.00 0.00 C
ATOM 71 H7 8GL X 4 20.331 21.590 21.457 1.00 0.00 H
ATOM 72 O7 8GL X 4 21.546 21.562 23.056 1.00 0.00 O
ATOM 73 H7O 8GL X 4 20.970 22.161 23.545 1.00 0.00 H
ATOM 74 C8 8GL X 4 22.209 20.646 20.857 1.00 0.00 C
ATOM 75 H8 8GL X 4 22.469 21.122 19.911 1.00 0.00 H
ATOM 76 C9 8GL X 4 23.442 20.100 21.521 1.00 0.00 C
ATOM 77 H9S 8GL X 4 24.071 20.984 21.655 1.00 0.00 H
ATOM 78 H9R 8GL X 4 23.212 19.694 22.506 1.00 0.00 H
ATOM 79 O9 8GL X 4 24.084 19.166 20.663 1.00 0.00 O
ATOM 80 H9O 8GL X 4 23.485 18.432 20.501 1.00 0.00 H
ATOM 81 O8 8GL X 4 21.271 19.533 20.468 1.00 0.00 O
ATOM 82 C2 0SA X 5 20.646 19.614 19.112 1.00 0.00 C
ATOM 83 C1 0SA X 5 19.375 18.485 19.059 1.00 0.00 C
ATOM 84 O1A 0SA X 5 18.203 18.869 19.385 1.00 0.00 O
ATOM 85 O1B 0SA X 5 19.485 17.231 18.798 1.00 0.00 O
ATOM 86 C3 0SA X 5 21.712 19.216 18.103 1.00 0.00 C
ATOM 87 H3E 0SA X 5 21.891 18.144 18.151 1.00 0.00 H
ATOM 88 H3A 0SA X 5 22.648 19.756 18.311 1.00 0.00 H
ATOM 89 C4 0SA X 5 21.356 19.583 16.594 1.00 0.00 C
ATOM 90 H4 0SA X 5 20.592 18.879 16.248 1.00 0.00 H
ATOM 91 C5 0SA X 5 20.990 21.074 16.491 1.00 0.00 C
ATOM 92 H5 0SA X 5 21.863 21.677 16.751 1.00 0.00 H
ATOM 93 C6 0SA X 5 19.851 21.422 17.489 1.00 0.00 C
ATOM 94 H6 0SA X 5 18.980 20.839 17.198 1.00 0.00 H
ATOM 95 C7 0SA X 5 19.569 22.972 17.548 1.00 0.00 C
ATOM 96 H7 0SA X 5 19.147 23.375 16.625 1.00 0.00 H
ATOM 97 C8 0SA X 5 18.541 23.306 18.640 1.00 0.00 C
ATOM 98 H8 0SA X 5 18.853 22.840 19.570 1.00 0.00 H
ATOM 99 C9 0SA X 5 18.316 24.811 18.881 1.00 0.00 C
ATOM 100 H9S 0SA X 5 19.245 25.371 18.981 1.00 0.00 H
ATOM 101 H9R 0SA X 5 17.841 25.299 18.031 1.00 0.00 H
ATOM 102 O9 0SA X 5 17.574 25.107 20.108 1.00 0.00 O
ATOM 103 H9O 0SA X 5 17.283 26.020 20.018 1.00 0.00 H
ATOM 104 O8 0SA X 5 17.266 22.748 18.214 1.00 0.00 O
ATOM 105 H8O 0SA X 5 16.994 23.136 17.383 1.00 0.00 H
ATOM 106 O7 0SA X 5 20.810 23.689 17.761 1.00 0.00 O
ATOM 107 H7O 0SA X 5 21.168 23.998 16.933 1.00 0.00 H
ATOM 108 O6 0SA X 5 20.198 20.953 18.828 1.00 0.00 O
ATOM 109 N5 0SA X 5 20.558 21.415 15.131 1.00 0.00 N
ATOM 110 H5N 0SA X 5 20.081 20.684 14.634 1.00 0.00 H
ATOM 111 C5N 0SA X 5 21.085 22.415 14.399 1.00 0.00 C
ATOM 112 CME 0SA X 5 20.578 22.451 12.932 1.00 0.00 C
ATOM 113 H3M 0SA X 5 19.564 22.838 12.896 1.00 0.00 H
ATOM 114 H2M 0SA X 5 20.589 21.431 12.560 1.00 0.00 H
ATOM 115 H1M 0SA X 5 21.188 23.114 12.325 1.00 0.00 H
ATOM 116 O5N 0SA X 5 21.932 23.170 14.865 1.00 0.00 O
ATOM 117 O4 0SA X 5 22.612 19.311 15.934 1.00 0.00 O
ATOM 118 H4O 0SA X 5 22.516 19.250 14.980 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 15
ATOM 1 HO1 ROH X 1 26.166 23.547 33.425 1.00 0.00 H
ATOM 2 O1 ROH X 1 26.444 22.648 33.590 1.00 0.00 O
ATOM 3 C1 4GA X 2 26.687 23.100 32.208 1.00 0.00 C
ATOM 4 H1 4GA X 2 27.543 23.771 32.127 1.00 0.00 H
ATOM 5 C2 4GA X 2 26.860 21.841 31.314 1.00 0.00 C
ATOM 6 H2 4GA X 2 26.029 21.160 31.448 1.00 0.00 H
ATOM 7 O2 4GA X 2 28.084 21.205 31.644 1.00 0.00 O
ATOM 8 H2O 4GA X 2 27.982 20.315 31.291 1.00 0.00 H
ATOM 9 C3 4GA X 2 26.796 22.216 29.839 1.00 0.00 C
ATOM 10 H3 4GA X 2 27.718 22.736 29.567 1.00 0.00 H
ATOM 11 O3 4GA X 2 26.765 21.022 29.059 1.00 0.00 O
ATOM 12 H3O 4GA X 2 27.665 20.827 28.780 1.00 0.00 H
ATOM 13 C4 4GA X 2 25.530 23.050 29.516 1.00 0.00 C
ATOM 14 H4 4GA X 2 24.629 22.462 29.654 1.00 0.00 H
ATOM 15 C5 4GA X 2 25.395 24.302 30.446 1.00 0.00 C
ATOM 16 H5 4GA X 2 26.209 24.979 30.186 1.00 0.00 H
ATOM 17 C6 4GA X 2 24.119 25.126 30.280 1.00 0.00 C
ATOM 18 H62 4GA X 2 24.221 26.069 30.827 1.00 0.00 H
ATOM 19 H61 4GA X 2 23.979 25.403 29.237 1.00 0.00 H
ATOM 20 O6 4GA X 2 22.978 24.394 30.784 1.00 0.00 O
ATOM 21 H6O 4GA X 2 23.256 23.914 31.567 1.00 0.00 H
ATOM 22 O5 4GA X 2 25.459 23.857 31.844 1.00 0.00 O
ATOM 23 O4 4GA X 2 25.519 23.664 28.076 1.00 0.00 O
ATOM 24 C1 3LB X 3 24.509 23.092 27.137 1.00 0.00 C
ATOM 25 H1 3LB X 3 23.509 23.221 27.569 1.00 0.00 H
ATOM 26 O5 3LB X 3 24.787 21.671 26.866 1.00 0.00 O
ATOM 27 C5 3LB X 3 23.848 21.025 25.934 1.00 0.00 C
ATOM 28 H5 3LB X 3 22.812 21.143 26.265 1.00 0.00 H
ATOM 29 C6 3LB X 3 24.155 19.579 25.835 1.00 0.00 C
ATOM 30 H62 3LB X 3 25.112 19.344 25.374 1.00 0.00 H
ATOM 31 H61 3LB X 3 23.349 19.058 25.323 1.00 0.00 H
ATOM 32 O6 3LB X 3 24.365 18.949 27.160 1.00 0.00 O
ATOM 33 H6O 3LB X 3 25.157 18.428 27.050 1.00 0.00 H
ATOM 34 C4 3LB X 3 23.955 21.771 24.564 1.00 0.00 C
ATOM 35 H4 3LB X 3 23.188 21.373 23.907 1.00 0.00 H
ATOM 36 O4 3LB X 3 25.310 21.623 24.005 1.00 0.00 O
ATOM 37 H4O 3LB X 3 25.310 21.543 23.046 1.00 0.00 H
ATOM 38 C3 3LB X 3 23.707 23.292 24.806 1.00 0.00 C
ATOM 39 H3 3LB X 3 22.650 23.369 25.073 1.00 0.00 H
ATOM 40 C2 3LB X 3 24.553 23.929 25.873 1.00 0.00 C
ATOM 41 H2 3LB X 3 25.567 23.940 25.492 1.00 0.00 H
ATOM 42 O2 3LB X 3 24.036 25.284 26.092 1.00 0.00 O
ATOM 43 H2O 3LB X 3 24.161 25.870 25.340 1.00 0.00 H
ATOM 44 O3 3LB X 3 23.951 24.112 23.502 1.00 0.00 O
ATOM 45 C2 8GL X 4 22.976 24.219 22.479 1.00 0.00 C
ATOM 46 C1 8GL X 4 23.671 24.474 21.058 1.00 0.00 C
ATOM 47 O1A 8GL X 4 24.788 24.033 20.831 1.00 0.00 O
ATOM 48 O1B 8GL X 4 23.069 25.053 20.200 1.00 0.00 O
ATOM 49 C3 8GL X 4 21.955 25.295 22.945 1.00 0.00 C
ATOM 50 H3E 8GL X 4 22.425 26.273 22.843 1.00 0.00 H
ATOM 51 H3A 8GL X 4 21.799 25.207 24.023 1.00 0.00 H
ATOM 52 C4 8GL X 4 20.548 25.305 22.275 1.00 0.00 C
ATOM 53 H4 8GL X 4 20.663 25.697 21.270 1.00 0.00 H
ATOM 54 O4 8GL X 4 19.679 26.182 23.059 1.00 0.00 O
ATOM 55 H4O 8GL X 4 19.485 27.022 22.625 1.00 0.00 H
ATOM 56 C5 8GL X 4 19.963 23.834 22.088 1.00 0.00 C
ATOM 57 H5 8GL X 4 19.738 23.373 23.059 1.00 0.00 H
ATOM 58 N5 8GL X 4 18.680 23.833 21.350 1.00 0.00 N
ATOM 59 H5N 8GL X 4 18.644 24.073 20.369 1.00 0.00 H
ATOM 60 C5N 8GL X 4 17.508 23.517 21.977 1.00 0.00 C
ATOM 61 CME 8GL X 4 16.228 23.520 21.120 1.00 0.00 C
ATOM 62 H2M 8GL X 4 16.293 22.727 20.373 1.00 0.00 H
ATOM 63 H1M 8GL X 4 16.250 24.479 20.592 1.00 0.00 H
ATOM 64 OHG 8GL X 4 14.906 23.484 21.702 1.00 0.00 O
ATOM 65 HOG 8GL X 4 14.411 22.951 21.077 1.00 0.00 H
ATOM 66 O5N 8GL X 4 17.389 23.271 23.175 1.00 0.00 O
ATOM 67 C6 8GL X 4 21.092 22.920 21.452 1.00 0.00 C
ATOM 68 H6 8GL X 4 21.206 23.326 20.448 1.00 0.00 H
ATOM 69 O6 8GL X 4 22.260 22.997 22.307 1.00 0.00 O
ATOM 70 C7 8GL X 4 20.619 21.417 21.320 1.00 0.00 C
ATOM 71 H7 8GL X 4 19.844 21.473 20.559 1.00 0.00 H
ATOM 72 O7 8GL X 4 20.014 20.959 22.560 1.00 0.00 O
ATOM 73 H7O 8GL X 4 19.079 20.851 22.378 1.00 0.00 H
ATOM 74 C8 8GL X 4 21.839 20.524 21.032 1.00 0.00 C
ATOM 75 H8 8GL X 4 22.411 20.603 21.951 1.00 0.00 H
ATOM 76 C9 8GL X 4 21.447 19.019 20.890 1.00 0.00 C
ATOM 77 H9S 8GL X 4 20.728 18.847 21.689 1.00 0.00 H
ATOM 78 H9R 8GL X 4 20.999 18.750 19.933 1.00 0.00 H
ATOM 79 O9 8GL X 4 22.600 18.176 21.040 1.00 0.00 O
ATOM 80 H9O 8GL X 4 23.095 18.099 20.214 1.00 0.00 H
ATOM 81 O8 8GL X 4 22.803 20.945 19.959 1.00 0.00 O
ATOM 82 C2 0SA X 5 22.452 20.879 18.546 1.00 0.00 C
ATOM 83 C1 0SA X 5 22.860 19.420 17.831 1.00 0.00 C
ATOM 84 O1A 0SA X 5 23.449 18.521 18.475 1.00 0.00 O
ATOM 85 O1B 0SA X 5 22.598 19.243 16.626 1.00 0.00 O
ATOM 86 C3 0SA X 5 23.351 22.075 18.047 1.00 0.00 C
ATOM 87 H3E 0SA X 5 24.433 21.935 18.058 1.00 0.00 H
ATOM 88 H3A 0SA X 5 23.066 22.881 18.719 1.00 0.00 H
ATOM 89 C4 0SA X 5 23.151 22.510 16.573 1.00 0.00 C
ATOM 90 H4 0SA X 5 23.517 21.673 15.966 1.00 0.00 H
ATOM 91 C5 0SA X 5 21.636 22.817 16.326 1.00 0.00 C
ATOM 92 H5 0SA X 5 21.456 23.832 16.687 1.00 0.00 H
ATOM 93 C6 0SA X 5 20.688 21.794 17.013 1.00 0.00 C
ATOM 94 H6 0SA X 5 20.797 20.912 16.378 1.00 0.00 H
ATOM 95 C7 0SA X 5 19.179 22.194 17.137 1.00 0.00 C
ATOM 96 H7 0SA X 5 18.878 22.620 16.181 1.00 0.00 H
ATOM 97 C8 0SA X 5 18.325 20.937 17.383 1.00 0.00 C
ATOM 98 H8 0SA X 5 18.691 20.349 18.221 1.00 0.00 H
ATOM 99 C9 0SA X 5 16.868 21.275 17.753 1.00 0.00 C
ATOM 100 H9S 0SA X 5 16.797 22.133 18.424 1.00 0.00 H
ATOM 101 H9R 0SA X 5 16.219 21.423 16.893 1.00 0.00 H
ATOM 102 O9 0SA X 5 16.363 20.193 18.571 1.00 0.00 O
ATOM 103 H9O 0SA X 5 16.425 19.307 18.208 1.00 0.00 H
ATOM 104 O8 0SA X 5 18.352 20.074 16.253 1.00 0.00 O
ATOM 105 H8O 0SA X 5 18.122 20.617 15.489 1.00 0.00 H
ATOM 106 O7 0SA X 5 19.096 23.150 18.244 1.00 0.00 O
ATOM 107 H7O 0SA X 5 19.444 24.019 18.018 1.00 0.00 H
ATOM 108 O6 0SA X 5 21.141 21.465 18.299 1.00 0.00 O
ATOM 109 N5 0SA X 5 21.362 22.801 14.817 1.00 0.00 N
ATOM 110 H5N 0SA X 5 21.009 21.930 14.440 1.00 0.00 H
ATOM 111 C5N 0SA X 5 21.073 23.901 14.101 1.00 0.00 C
ATOM 112 CME 0SA X 5 20.763 23.645 12.627 1.00 0.00 C
ATOM 113 H3M 0SA X 5 19.712 23.483 12.390 1.00 0.00 H
ATOM 114 H2M 0SA X 5 21.228 22.694 12.361 1.00 0.00 H
ATOM 115 H1M 0SA X 5 21.212 24.426 12.010 1.00 0.00 H
ATOM 116 O5N 0SA X 5 21.058 25.052 14.592 1.00 0.00 O
ATOM 117 O4 0SA X 5 23.970 23.674 16.311 1.00 0.00 O
ATOM 118 H4O 0SA X 5 24.806 23.306 16.005 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
MODEL 16
ATOM 1 HO1 ROH X 1 27.597 18.201 25.451 1.00 0.00 H
ATOM 2 O1 ROH X 1 28.409 18.405 25.923 1.00 0.00 O
ATOM 3 C1 4GA X 2 27.321 19.211 26.349 1.00 0.00 C
ATOM 4 H1 4GA X 2 26.657 18.674 27.036 1.00 0.00 H
ATOM 5 C2 4GA X 2 27.835 20.578 26.959 1.00 0.00 C
ATOM 6 H2 4GA X 2 28.500 21.113 26.274 1.00 0.00 H
ATOM 7 O2 4GA X 2 28.610 20.458 28.231 1.00 0.00 O
ATOM 8 H2O 4GA X 2 29.344 21.090 28.200 1.00 0.00 H
ATOM 9 C3 4GA X 2 26.729 21.575 27.218 1.00 0.00 C
ATOM 10 H3 4GA X 2 25.983 21.207 27.937 1.00 0.00 H
ATOM 11 O3 4GA X 2 27.300 22.813 27.660 1.00 0.00 O
ATOM 12 H3O 4GA X 2 28.183 22.598 27.984 1.00 0.00 H
ATOM 13 C4 4GA X 2 25.837 21.877 25.963 1.00 0.00 C
ATOM 14 H4 4GA X 2 26.493 22.430 25.272 1.00 0.00 H
ATOM 15 C5 4GA X 2 25.417 20.578 25.350 1.00 0.00 C
ATOM 16 H5 4GA X 2 24.700 20.023 25.957 1.00 0.00 H
ATOM 17 C6 4GA X 2 24.754 20.858 23.958 1.00 0.00 C
ATOM 18 H62 4GA X 2 24.668 19.914 23.417 1.00 0.00 H
ATOM 19 H61 4GA X 2 23.757 21.267 24.058 1.00 0.00 H
ATOM 20 O6 4GA X 2 25.601 21.721 23.155 1.00 0.00 O
ATOM 21 H6O 4GA X 2 25.209 21.743 22.283 1.00 0.00 H
ATOM 22 O5 4GA X 2 26.571 19.645 25.209 1.00 0.00 O
ATOM 23 O4 4GA X 2 24.638 22.641 26.319 1.00 0.00 O
ATOM 24 C1 3LB X 3 24.349 23.785 25.537 1.00 0.00 C
ATOM 25 H1 3LB X 3 24.664 23.710 24.496 1.00 0.00 H
ATOM 26 O5 3LB X 3 25.081 24.861 26.180 1.00 0.00 O
ATOM 27 C5 3LB X 3 24.728 26.344 25.817 1.00 0.00 C
ATOM 28 H5 3LB X 3 24.985 26.485 24.774 1.00 0.00 H
ATOM 29 C6 3LB X 3 25.604 27.249 26.698 1.00 0.00 C
ATOM 30 H62 3LB X 3 26.686 27.075 26.693 1.00 0.00 H
ATOM 31 H61 3LB X 3 25.247 27.178 27.726 1.00 0.00 H
ATOM 32 O6 3LB X 3 25.447 28.550 26.124 1.00 0.00 O
ATOM 33 H6O 3LB X 3 25.839 29.220 26.694 1.00 0.00 H
ATOM 34 C4 3LB X 3 23.221 26.536 25.880 1.00 0.00 C
ATOM 35 H4 3LB X 3 22.865 27.482 25.471 1.00 0.00 H
ATOM 36 O4 3LB X 3 22.794 26.370 27.309 1.00 0.00 O
ATOM 37 H4O 3LB X 3 21.963 26.848 27.340 1.00 0.00 H
ATOM 38 C3 3LB X 3 22.522 25.484 24.987 1.00 0.00 C
ATOM 39 H3 3LB X 3 23.068 25.607 24.044 1.00 0.00 H
ATOM 40 C2 3LB X 3 22.838 24.090 25.628 1.00 0.00 C
ATOM 41 H2 3LB X 3 22.609 24.023 26.691 1.00 0.00 H
ATOM 42 O2 3LB X 3 22.114 22.948 25.035 1.00 0.00 O
ATOM 43 H2O 3LB X 3 21.314 23.241 24.580 1.00 0.00 H
ATOM 44 O3 3LB X 3 21.071 25.824 24.939 1.00 0.00 O
ATOM 45 C2 8GL X 4 20.326 25.881 23.739 1.00 0.00 C
ATOM 46 C1 8GL X 4 20.941 26.915 22.647 1.00 0.00 C
ATOM 47 O1A 8GL X 4 20.778 26.558 21.465 1.00 0.00 O
ATOM 48 O1B 8GL X 4 21.403 27.992 23.079 1.00 0.00 O
ATOM 49 C3 8GL X 4 18.928 26.356 24.071 1.00 0.00 C
ATOM 50 H3E 8GL X 4 18.818 27.439 24.132 1.00 0.00 H
ATOM 51 H3A 8GL X 4 18.676 25.958 25.050 1.00 0.00 H
ATOM 52 C4 8GL X 4 17.848 25.830 23.104 1.00 0.00 C
ATOM 53 H4 8GL X 4 18.037 26.087 22.058 1.00 0.00 H
ATOM 54 O4 8GL X 4 16.521 26.305 23.502 1.00 0.00 O
ATOM 55 H4O 8GL X 4 15.969 26.410 22.718 1.00 0.00 H
ATOM 56 C5 8GL X 4 17.855 24.245 23.160 1.00 0.00 C
ATOM 57 H5 8GL X 4 17.744 23.902 24.178 1.00 0.00 H
ATOM 58 N5 8GL X 4 16.805 23.631 22.320 1.00 0.00 N
ATOM 59 H5N 8GL X 4 16.952 23.706 21.316 1.00 0.00 H
ATOM 60 C5N 8GL X 4 15.755 22.896 22.783 1.00 0.00 C
ATOM 61 CME 8GL X 4 14.659 22.582 21.700 1.00 0.00 C
ATOM 62 H2M 8GL X 4 15.135 21.996 20.919 1.00 0.00 H
ATOM 63 H1M 8GL X 4 14.259 23.539 21.359 1.00 0.00 H
ATOM 64 OHG 8GL X 4 13.382 21.884 21.970 1.00 0.00 O
ATOM 65 HOG 8GL X 4 13.501 20.935 22.074 1.00 0.00 H
ATOM 66 O5N 8GL X 4 15.740 22.554 23.978 1.00 0.00 O
ATOM 67 C6 8GL X 4 19.250 23.766 22.638 1.00 0.00 C
ATOM 68 H6 8GL X 4 19.208 24.043 21.585 1.00 0.00 H
ATOM 69 O6 8GL X 4 20.323 24.498 23.297 1.00 0.00 O
ATOM 70 C7 8GL X 4 19.651 22.279 22.771 1.00 0.00 C
ATOM 71 H7 8GL X 4 18.921 21.620 22.310 1.00 0.00 H
ATOM 72 O7 8GL X 4 19.515 22.019 24.237 1.00 0.00 O
ATOM 73 H7O 8GL X 4 18.632 21.650 24.310 1.00 0.00 H
ATOM 74 C8 8GL X 4 20.927 21.794 22.295 1.00 0.00 C
ATOM 75 H8 8GL X 4 21.634 22.525 22.665 1.00 0.00 H
ATOM 76 C9 8GL X 4 21.244 20.276 22.499 1.00 0.00 C
ATOM 77 H9S 8GL X 4 22.252 20.118 22.119 1.00 0.00 H
ATOM 78 H9R 8GL X 4 21.275 19.957 23.538 1.00 0.00 H
ATOM 79 O9 8GL X 4 20.404 19.274 21.760 1.00 0.00 O
ATOM 80 H9O 8GL X 4 19.606 19.250 22.288 1.00 0.00 H
ATOM 81 O8 8GL X 4 20.901 22.040 20.822 1.00 0.00 O
ATOM 82 C2 0SA X 5 21.998 22.042 19.935 1.00 0.00 C
ATOM 83 C1 0SA X 5 23.335 22.565 20.601 1.00 0.00 C
ATOM 84 O1A 0SA X 5 24.224 21.759 20.941 1.00 0.00 O
ATOM 85 O1B 0SA X 5 23.458 23.807 20.641 1.00 0.00 O
ATOM 86 C3 0SA X 5 21.451 22.868 18.707 1.00 0.00 C
ATOM 87 H3E 0SA X 5 21.529 23.941 18.843 1.00 0.00 H
ATOM 88 H3A 0SA X 5 20.402 22.646 18.523 1.00 0.00 H
ATOM 89 C4 0SA X 5 22.267 22.548 17.475 1.00 0.00 C
ATOM 90 H4 0SA X 5 23.293 22.850 17.689 1.00 0.00 H
ATOM 91 C5 0SA X 5 22.463 21.018 17.142 1.00 0.00 C
ATOM 92 H5 0SA X 5 21.528 20.573 16.787 1.00 0.00 H
ATOM 93 C6 0SA X 5 22.854 20.254 18.428 1.00 0.00 C
ATOM 94 H6 0SA X 5 23.837 20.592 18.754 1.00 0.00 H
ATOM 95 C7 0SA X 5 23.005 18.748 18.437 1.00 0.00 C
ATOM 96 H7 0SA X 5 23.748 18.500 17.686 1.00 0.00 H
ATOM 97 C8 0SA X 5 23.408 18.175 19.842 1.00 0.00 C
ATOM 98 H8 0SA X 5 22.678 18.486 20.596 1.00 0.00 H
ATOM 99 C9 0SA X 5 23.559 16.689 20.114 1.00 0.00 C
ATOM 100 H9S 0SA X 5 24.299 16.235 19.446 1.00 0.00 H
ATOM 101 H9R 0SA X 5 24.071 16.492 21.058 1.00 0.00 H
ATOM 102 O9 0SA X 5 22.375 15.856 19.968 1.00 0.00 O
ATOM 103 H9O 0SA X 5 22.611 15.046 20.439 1.00 0.00 H
ATOM 104 O8 0SA X 5 24.606 18.871 20.284 1.00 0.00 O
ATOM 105 H8O 0SA X 5 24.316 19.790 20.368 1.00 0.00 H
ATOM 106 O7 0SA X 5 21.642 18.168 18.111 1.00 0.00 O
ATOM 107 H7O 0SA X 5 20.942 18.583 18.624 1.00 0.00 H
ATOM 108 O6 0SA X 5 22.003 20.670 19.497 1.00 0.00 O
ATOM 109 N5 0SA X 5 23.483 20.847 16.052 1.00 0.00 N
ATOM 110 H5N 0SA X 5 24.459 21.070 16.203 1.00 0.00 H
ATOM 111 C5N 0SA X 5 23.257 20.015 15.035 1.00 0.00 C
ATOM 112 CME 0SA X 5 24.417 19.798 13.990 1.00 0.00 C
ATOM 113 H3M 0SA X 5 23.979 19.556 13.019 1.00 0.00 H
ATOM 114 H2M 0SA X 5 25.106 19.000 14.259 1.00 0.00 H
ATOM 115 H1M 0SA X 5 24.989 20.709 13.830 1.00 0.00 H
ATOM 116 O5N 0SA X 5 22.133 19.471 14.929 1.00 0.00 O
ATOM 117 O4 0SA X 5 21.705 23.208 16.323 1.00 0.00 O
ATOM 118 H4O 0SA X 5 22.435 23.259 15.697 1.00 0.00 H
CONECT 1 2
CONECT 2 3
CONECT 3 4
CONECT 3 5
CONECT 3 22
CONECT 5 6
CONECT 5 7
CONECT 5 9
CONECT 7 8
CONECT 9 10
CONECT 9 11
CONECT 9 13
CONECT 11 12
CONECT 13 14
CONECT 13 15
CONECT 13 23
CONECT 15 16
CONECT 15 17
CONECT 15 22
CONECT 17 18
CONECT 17 19
CONECT 17 20
CONECT 20 21
CONECT 23 24
CONECT 24 25
CONECT 24 26
CONECT 24 40
CONECT 26 27
CONECT 27 28
CONECT 27 29
CONECT 27 34
CONECT 29 30
CONECT 29 31
CONECT 29 32
CONECT 32 33
CONECT 34 35
CONECT 34 36
CONECT 34 38
CONECT 36 37
CONECT 38 39
CONECT 38 40
CONECT 38 44
CONECT 40 41
CONECT 40 42
CONECT 42 43
CONECT 44 45
CONECT 45 46
CONECT 45 49
CONECT 45 69
CONECT 46 47
CONECT 46 48
CONECT 49 50
CONECT 49 51
CONECT 49 52
CONECT 52 53
CONECT 52 54
CONECT 52 56
CONECT 54 55
CONECT 56 57
CONECT 56 58
CONECT 56 67
CONECT 58 59
CONECT 58 60
CONECT 60 61
CONECT 60 66
CONECT 61 62
CONECT 61 63
CONECT 61 64
CONECT 64 65
CONECT 67 68
CONECT 67 69
CONECT 67 70
CONECT 70 71
CONECT 70 72
CONECT 70 74
CONECT 72 73
CONECT 74 75
CONECT 74 76
CONECT 74 81
CONECT 76 77
CONECT 76 78
CONECT 76 79
CONECT 79 80
CONECT 81 82
CONECT 82 83
CONECT 82 86
CONECT 82 108
CONECT 83 84
CONECT 83 85
CONECT 86 87
CONECT 86 88
CONECT 86 89
CONECT 89 90
CONECT 89 91
CONECT 89 117
CONECT 91 92
CONECT 91 93
CONECT 91 109
CONECT 93 94
CONECT 93 95
CONECT 93 108
CONECT 95 96
CONECT 95 97
CONECT 95 106
CONECT 97 98
CONECT 97 99
CONECT 97 104
CONECT 99 100
CONECT 99 101
CONECT 99 102
CONECT 102 103
CONECT 104 105
CONECT 106 107
CONECT 109 110
CONECT 109 111
CONECT 111 112
CONECT 111 116
CONECT 112 113
CONECT 112 114
CONECT 112 115
CONECT 117 118
ENDMDL
END