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-0.0530 20 C7 9.7904 11.0733 12.4530 C.3 1 noname -0.0533 21 C8 7.5072 17.4795 -28.7702 C.3 1 noname -0.0533 22 C9 9.7512 9.2378 7.8055 C.3 1 noname -0.0492 23 C10 4.2119 19.4922 -25.5985 C.3 1 noname -0.0492 24 C11 10.4163 10.9417 13.8429 C.3 1 noname -0.0535 25 C12 8.6012 17.7846 -29.7954 C.3 1 noname -0.0535 26 C13 10.3576 8.1885 6.8716 C.3 1 noname 0.0033 27 C14 3.6583 20.8037 -25.0378 C.3 1 noname 0.0033 28 C15 9.8100 11.9911 14.7767 C.3 1 noname -0.0561 29 C16 9.1549 16.4731 -30.3560 C.3 1 noname -0.0561 30 C17 9.7603 8.3141 5.5453 C.2 1 noname -0.0680 31 C18 2.6143 20.5125 -24.0596 C.2 1 noname -0.0680 32 C19 10.4359 11.8595 16.1666 C.3 1 noname -0.0654 33 C20 10.2489 16.7782 -31.3812 C.3 1 noname -0.0654 34 C21 8.6134 7.5954 5.2287 C.2 1 noname -0.0544 35 C22 1.2907 20.3988 -24.4686 C.2 1 noname -0.0544 36 C23 10.3385 9.1523 4.5993 C.2 1 noname -0.0544 37 C24 2.9440 20.3489 -22.7192 C.2 1 noname -0.0544 38 C25 8.0448 7.7150 3.9660 C.2 1 noname -0.0319 39 C26 0.2969 20.1216 -23.5372 C.2 1 noname -0.0319 40 C27 9.7699 9.2719 3.3365 C.2 1 noname -0.0319 41 C28 1.9501 20.0717 -21.7878 C.2 1 noname -0.0319 42 C29 8.6230 8.5532 3.0199 C.2 1 noname -0.0081 43 C30 0.6266 19.9581 -22.1968 C.2 1 noname -0.0081 44 C31 7.1207 9.7247 1.8003 C.3 1 noname 0.0768 45 C32 0.2422 19.5667 -20.0023 C.3 1 noname 0.0768 46 C33 6.4948 9.8563 0.4104 C.3 1 noname 0.0707 47 C34 -0.8518 19.2615 -18.9771 C.3 1 noname 0.0707 48 C35 4.9638 11.0338 -0.8729 C.3 1 noname 0.0702 49 C36 -1.2862 18.8562 -16.7357 C.3 1 noname 0.0702 50 C37 -0.6603 18.7246 -15.3458 C.3 1 noname 0.0702 51 C38 3.9402 12.1710 -0.8656 C.3 1 noname 0.0702 52 C39 2.4092 13.3485 -2.1489 C.3 1 noname 0.0702 53 C40 -1.0947 18.3192 -13.1044 C.3 1 noname 0.0702 54 C41 1.7833 13.4801 -3.5387 C.3 1 noname 0.0702 55 C42 -2.1887 18.0141 -12.0792 C.3 1 noname 0.0702 56 C43 -2.6231 17.6087 -9.8377 C.3 1 noname 0.0712 57 C44 0.2524 14.6576 -4.8220 C.3 1 noname 0.0712 58 C45 -0.7713 15.7947 -4.8147 C.3 1 noname 0.0859 59 C46 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80 H21 10.2175 9.9455 14.2380 H 1 noname 0.0266 81 H22 11.4930 11.0966 13.7726 H 1 noname 0.0266 82 H23 8.1825 18.3789 -30.6075 H 1 noname 0.0266 83 H24 9.4048 18.3420 -29.3141 H 1 noname 0.0266 84 H25 3.2396 21.3980 -25.8500 H 1 noname 0.0316 85 H26 4.4619 21.3611 -24.5566 H 1 noname 0.0316 86 H27 10.1588 7.1922 7.2668 H 1 noname 0.0316 87 H28 11.4343 8.3433 6.8014 H 1 noname 0.0316 88 H29 8.3512 15.9157 -30.8373 H 1 noname 0.0264 89 H30 9.5736 15.8788 -29.5439 H 1 noname 0.0264 90 H31 8.7333 11.8362 14.8469 H 1 noname 0.0264 91 H32 10.0087 12.9873 14.3816 H 1 noname 0.0264 92 H33 10.6433 15.8439 -31.7806 H 1 noname 0.0230 93 H34 10.0039 12.6070 16.8319 H 1 noname 0.0230 94 H35 10.2371 10.8632 16.5617 H 1 noname 0.0230 95 H36 11.5125 12.0143 16.0964 H 1 noname 0.0230 96 H37 9.8302 17.3725 -32.1934 H 1 noname 0.0230 97 H38 11.0525 17.3356 -30.9000 H 1 noname 0.0230 98 H39 8.1891 6.9802 5.9229 H 1 noname 0.0626 99 H40 1.0488 20.5189 -25.4522 H 1 noname 0.0626 100 H41 11.1801 9.6797 4.8316 H 1 noname 0.0626 101 H42 3.9153 20.4323 -22.4190 H 1 noname 0.0626 102 H43 7.2032 7.1876 3.7336 H 1 noname 0.0650 103 H44 -0.6744 20.0382 -23.8374 H 1 noname 0.0650 104 H45 10.1942 9.8870 2.6423 H 1 noname 0.0650 105 H46 2.1921 19.9517 -20.8042 H 1 noname 0.0650 106 H47 0.7382 20.5004 -19.7373 H 1 noname 0.0596 107 H48 0.9714 18.7566 -20.0075 H 1 noname 0.0596 108 H49 6.3413 9.5073 2.5306 H 1 noname 0.0596 109 H50 7.6167 10.6584 2.0653 H 1 noname 0.0596 110 H51 -1.5810 20.0716 -18.9720 H 1 noname 0.0590 111 H52 -1.3478 18.3278 -19.2421 H 1 noname 0.0590 112 H53 5.9987 8.9226 0.1454 H 1 noname 0.0590 113 H54 7.2742 10.0737 -0.3200 H 1 noname 0.0590 114 H55 4.4678 10.1001 -1.1379 H 1 noname 0.0590 115 H56 5.7432 11.2512 -1.6032 H 1 noname 0.0590 116 H57 -2.0155 19.6663 -16.7305 H 1 noname 0.0590 117 H58 -1.7822 17.9225 -17.0007 H 1 noname 0.0590 118 H59 3.1608 11.9536 -0.1353 H 1 noname 0.0590 119 H60 4.4362 13.1047 -0.6006 H 1 noname 0.0590 120 H61 -0.1642 19.6583 -15.0808 H 1 noname 0.0590 121 H62 0.0690 17.9145 -15.3510 H 1 noname 0.0590 122 H63 -0.5987 19.2529 -12.8394 H 1 noname 0.0590 123 H64 -0.3654 17.5091 -13.1095 H 1 noname 0.0590 124 H65 1.6299 13.1311 -1.4185 H 1 noname 0.0590 125 H66 2.9053 14.2822 -1.8839 H 1 noname 0.0590 126 H67 -2.9179 18.8242 -12.0740 H 1 noname 0.0590 127 H68 -2.6847 17.0804 -12.3442 H 1 noname 0.0590 128 H69 1.2873 12.5464 -3.8037 H 1 noname 0.0590 129 H70 2.5627 13.6975 -4.2691 H 1 noname 0.0590 130 H71 -3.3524 18.4188 -9.8326 H 1 noname 0.0590 131 H72 -0.2437 13.7239 -5.0870 H 1 noname 0.0590 132 H73 1.0317 14.8750 -5.5523 H 1 noname 0.0590 133 H74 -3.1191 16.6750 -10.1027 H 1 noname 0.0590 134 H75 -1.5506 15.5773 -4.0844 H 1 noname 0.0601 135 H76 -0.2752 16.7284 -4.5497 H 1 noname 0.0601 136 H77 -1.5011 18.4108 -8.1829 H 1 noname 0.0601 137 H78 -1.2679 16.6670 -8.4530 H 1 noname 0.0601 138 H79 -2.3373 19.1090 -5.7184 H 1 noname 0.2283 @BOND 1 1 10 1 2 1 11 1 3 1 12 1 4 1 13 2 5 2 42 1 6 2 44 1 7 3 43 1 8 3 45 1 9 4 46 1 10 4 48 1 11 5 47 1 12 5 49 1 13 6 51 1 14 6 52 1 15 7 50 1 16 7 53 1 17 8 54 1 18 8 57 1 19 9 55 1 20 9 56 1 21 10 58 1 22 11 59 1 23 12 138 1 24 14 17 1 25 14 18 1 26 14 62 1 27 14 63 1 28 15 16 1 29 15 19 1 30 15 60 1 31 15 61 1 32 16 21 1 33 16 64 1 34 16 65 1 35 17 20 1 36 17 66 1 37 17 67 1 38 18 22 1 39 18 70 1 40 18 71 1 41 19 23 1 42 19 68 1 43 19 69 1 44 20 24 1 45 20 74 1 46 20 75 1 47 21 25 1 48 21 72 1 49 21 73 1 50 22 26 1 51 22 76 1 52 22 77 1 53 23 27 1 54 23 78 1 55 23 79 1 56 24 28 1 57 24 80 1 58 24 81 1 59 25 29 1 60 25 82 1 61 25 83 1 62 26 30 1 63 26 86 1 64 26 87 1 65 27 31 1 66 27 84 1 67 27 85 1 68 28 32 1 69 28 90 1 70 28 91 1 71 29 33 1 72 29 88 1 73 29 89 1 74 30 34 2 75 30 36 1 76 31 35 2 77 31 37 1 78 32 93 1 79 32 94 1 80 32 95 1 81 33 92 1 82 33 96 1 83 33 97 1 84 34 38 1 85 34 98 1 86 35 39 1 87 35 99 1 88 36 40 2 89 36 100 1 90 37 41 2 91 37 101 1 92 38 42 2 93 38 102 1 94 39 43 2 95 39 103 1 96 40 42 1 97 40 104 1 98 41 43 1 99 41 105 1 100 44 46 1 101 44 108 1 102 44 109 1 103 45 47 1 104 45 106 1 105 45 107 1 106 46 112 1 107 46 113 1 108 47 110 1 109 47 111 1 110 48 51 1 111 48 114 1 112 48 115 1 113 49 50 1 114 49 116 1 115 49 117 1 116 50 120 1 117 50 121 1 118 51 118 1 119 51 119 1 120 52 54 1 121 52 124 1 122 52 125 1 123 53 55 1 124 53 122 1 125 53 123 1 126 54 128 1 127 54 129 1 128 55 126 1 129 55 127 1 130 56 59 1 131 56 130 1 132 56 133 1 133 57 58 1 134 57 131 1 135 57 132 1 136 58 134 1 137 58 135 1 138 59 136 1 139 59 137 1 @SUBSTRUCTURE 1 noname 1