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-3.8180 -29.8246 N.3 1 noname -0.0664 20 N6 21.0809 -4.2171 -39.9605 N.3 1 noname -0.0664 21 N7 17.8396 -5.0387 -40.3210 N.3 1 noname -0.0664 22 N8 30.5363 -5.6653 -29.6024 N.3 1 noname -0.0655 23 N9 15.3523 -3.9643 -42.2956 N.3 1 noname -0.0664 24 N10 32.0090 -2.7465 -30.4114 N.3 1 noname -0.0641 25 N11 29.0382 0.7287 -36.9375 N.3 1 noname -0.3304 26 N12 23.9694 -5.0208 -47.0219 N.3 1 noname -0.3304 27 N13 22.9718 -4.1558 -27.9065 N.2 1 noname -0.2644 28 N14 20.1294 0.0594 -36.9431 N.2 1 noname -0.2644 29 N15 12.6456 -1.8711 -42.1071 N.3 1 noname -0.0852 30 N16 31.4619 0.2371 -28.4071 N.3 1 noname -0.0649 31 N17 21.3736 -3.9468 -26.3713 N.3 1 noname -0.1342 32 N18 20.8314 -3.6203 -28.5334 N.3 1 noname -0.1342 33 N19 20.5857 1.9764 -35.8956 N.3 1 noname -0.1342 34 N20 18.5176 1.6805 -36.7320 N.3 1 noname -0.1342 35 N21 33.4184 2.9505 -28.0490 N.3 1 noname -0.0733 36 C1 24.7165 -6.9586 -35.6408 C.3 1 noname 0.0880 37 C2 23.1723 -7.0139 -35.8219 C.3 1 noname -0.0265 38 C3 25.7122 -7.3687 -39.3514 C.3 1 noname 0.0932 39 C4 26.4880 -4.2086 -33.7088 C.3 1 noname 0.0878 40 C5 22.3575 -6.8755 -34.4868 C.3 1 noname -0.0451 41 C6 23.4256 -4.5839 -40.6259 C.3 1 noname 0.0878 42 C7 26.8811 -3.4067 -34.9876 C.3 1 noname -0.0288 43 C8 25.5742 -7.2167 -36.8133 C.2 1 noname 0.0500 44 C9 29.6598 -5.1748 -28.5604 C.3 1 noname 0.0880 45 C10 27.2315 -4.8481 -30.5391 C.3 1 noname 0.0878 46 C11 22.9146 -4.5619 -42.0983 C.3 1 noname -0.0288 47 C12 17.0831 -5.5299 -41.4274 C.3 1 noname 0.0880 48 C13 30.0724 -5.2126 -27.0453 C.3 1 noname -0.0265 49 C14 19.9418 -4.4836 -39.1439 C.3 1 noname 0.0878 50 C15 25.6972 -5.4381 -33.9754 C.2 1 noname 0.0493 51 C16 25.3056 -6.1239 -40.0703 C.2 1 noname 0.0506 52 C17 15.9012 -6.4266 -40.9495 C.3 1 noname -0.0265 53 C18 31.0093 -6.3848 -26.6190 C.3 1 noname -0.0451 54 C19 27.7613 -2.1584 -34.6995 C.3 1 noname -0.0501 55 C20 25.7187 -4.4685 -30.4988 C.3 1 noname -0.0271 56 C21 16.2671 -7.7153 -40.1458 C.3 1 noname -0.0451 57 C22 27.9556 -5.0380 -31.8378 C.2 1 noname 0.0493 58 C23 24.0249 -4.8231 -43.1489 C.3 1 noname -0.0501 59 C24 25.1755 -8.6442 -40.0663 C.3 1 noname -0.0381 60 C25 27.3085 -7.4817 -39.3120 C.3 1 noname -0.0381 61 C26 22.3753 -4.3861 -39.6005 C.2 1 noname 0.0493 62 C27 19.2551 -3.1430 -38.7717 C.3 1 noname -0.0271 63 C28 28.9691 -3.9236 -28.9549 C.2 1 noname 0.0493 64 C29 20.8390 -6.8673 -34.8139 C.3 1 noname -0.0627 65 C30 22.6628 -7.9912 -33.4363 C.3 1 noname -0.0627 66 C31 19.1121 -5.3833 -39.9850 C.2 1 noname 0.0493 67 C32 32.5559 -4.0138 -29.9492 C.3 1 noname 0.0932 68 C33 28.0033 -1.3066 -35.9733 C.3 1 noname -0.0408 69 C34 16.6665 -4.3064 -42.1667 C.2 1 noname 0.0493 70 C35 25.0698 -4.5084 -29.0864 C.3 1 noname -0.0314 71 C36 14.8173 -2.7977 -42.9304 C.3 1 noname 0.0878 72 C37 23.4695 -4.7941 -44.5988 C.3 1 noname -0.0408 73 C38 20.1511 -2.1692 -37.9632 C.3 1 noname -0.0314 74 C39 14.0687 -3.2437 -44.2317 C.3 1 noname -0.0265 75 C40 31.6456 -5.1799 -30.2650 C.2 1 noname 0.0506 76 C41 14.9092 -4.0000 -45.3247 C.3 1 noname -0.0451 77 C42 31.7494 -6.0602 -25.2864 C.3 1 noname -0.0627 78 C43 30.2301 -7.7221 -26.5570 C.3 1 noname -0.0627 79 C44 14.9663 -8.4437 -39.6988 C.3 1 noname -0.0627 80 C45 17.1810 -8.7070 -40.9234 C.3 1 noname -0.0627 81 C46 28.8329 -0.0306 -35.6976 C.3 1 noname -0.0076 82 C47 23.5612 -4.1628 -29.1677 C.3 1 noname 0.0419 83 C48 33.9427 -4.1347 -30.6443 C.3 1 noname -0.0381 84 C49 32.9252 -4.0692 -28.4814 C.3 1 noname -0.0381 85 C50 24.5514 -5.0543 -45.6719 C.3 1 noname -0.0076 86 C51 19.3661 -0.8783 -37.6355 C.3 1 noname 0.0419 87 C52 13.9637 -2.0915 -41.9313 C.2 1 noname 0.0413 88 C53 14.0250 -4.4981 -46.5000 C.3 1 noname -0.0627 89 C54 16.0564 -3.1584 -45.9387 C.3 1 noname -0.0627 90 C55 31.9587 -1.4941 -29.8598 C.2 1 noname 0.0511 91 C56 32.3255 -0.8987 -28.4989 C.3 1 noname 0.1109 92 C57 32.0194 -1.3816 -27.0559 C.3 1 noname 0.0675 93 C58 21.7426 -3.9095 -27.6266 C.2 1 noname -0.1445 94 C59 19.7367 1.2134 -36.5391 C.2 1 noname -0.1445 95 C60 31.6487 1.5429 -28.5968 C.2 1 noname 0.0497 96 C61 32.8126 2.2795 -29.1515 C.3 1 noname 0.0849 97 C62 33.9359 1.5589 -29.9166 C.3 1 noname -0.0408 98 C63 33.1170 4.1850 -27.5601 C.2 1 noname 0.0388 99 C64 32.0718 5.0926 -28.0592 C.3 1 noname 0.0095 100 H1 24.9663 -7.7617 -34.9457 H 1 noname 0.0566 101 H2 22.9292 -7.9833 -36.2714 H 1 noname 0.0290 102 H3 22.8600 -6.2344 -36.5330 H 1 noname 0.0290 103 H4 25.9362 -3.5390 -33.0571 H 1 noname 0.0566 104 H5 22.5981 -5.9072 -34.0318 H 1 noname 0.0298 105 H6 24.1491 -3.7722 -40.5020 H 1 noname 0.0566 106 H7 25.9654 -3.0753 -35.4841 H 1 noname 0.0287 107 H8 27.4208 -4.0638 -35.6794 H 1 noname 0.0287 108 H9 28.8877 -5.9417 -28.5682 H 1 noname 0.0566 109 H10 27.2772 -5.8134 -30.0321 H 1 noname 0.0566 110 H11 25.1154 -4.9431 -35.8224 H 1 noname 0.1318 111 H12 24.0834 -7.2375 -38.1049 H 1 noname 0.1321 112 H13 22.1272 -5.3129 -42.2213 H 1 noname 0.0287 113 H14 22.4779 -3.5771 -42.2952 H 1 noname 0.0287 114 H15 17.7049 -6.1112 -42.1130 H 1 noname 0.0566 115 H16 29.1585 -5.2625 -26.4499 H 1 noname 0.0290 116 H17 30.4989 -4.2651 -26.7280 H 1 noname 0.0290 117 H18 20.2064 -5.0208 -38.2269 H 1 noname 0.0566 118 H19 15.3279 -6.7226 -41.8330 H 1 noname 0.0290 119 H20 15.2473 -5.8131 -40.3201 H 1 noname 0.0290 120 H21 31.7794 -6.5311 -27.3757 H 1 noname 0.0298 121 H22 23.3599 -6.5942 -40.1671 H 1 noname 0.1319 122 H23 27.2685 -1.5437 -33.9417 H 1 noname 0.0268 123 H24 28.7285 -2.4801 -34.3015 H 1 noname 0.0268 124 H25 28.4066 -4.8565 -33.7501 H 1 noname 0.1318 125 H26 25.1503 -5.1662 -31.1043 H 1 noname 0.0288 126 H27 25.5760 -3.4622 -30.8942 H 1 noname 0.0288 127 H28 16.7966 -7.4094 -39.2380 H 1 noname 0.0298 128 H29 24.4749 -5.8015 -42.9606 H 1 noname 0.0268 129 H30 24.8009 -4.0607 -43.0367 H 1 noname 0.0268 130 H31 25.6274 -8.7514 -41.0529 H 1 noname 0.0254 131 H32 24.0889 -8.6115 -40.1911 H 1 noname 0.0254 132 H33 25.4130 -9.5364 -39.4814 H 1 noname 0.0254 133 H34 27.8359 -7.5552 -40.2932 H 1 noname 0.0254 134 H35 27.5935 -8.3576 -38.7339 H 1 noname 0.0254 135 H36 27.7158 -6.6055 -38.8071 H 1 noname 0.0254 136 H37 18.9321 -2.6435 -39.6922 H 1 noname 0.0288 137 H38 18.3645 -3.3722 -38.1788 H 1 noname 0.0288 138 H39 27.6051 -2.9168 -29.9736 H 1 noname 0.1318 139 H40 20.9018 -3.9778 -40.8837 H 1 noname 0.1318 140 H41 22.0412 -7.8569 -32.5526 H 1 noname 0.0233 141 H42 22.4704 -8.9786 -33.8578 H 1 noname 0.0233 142 H43 23.6947 -7.9628 -33.0972 H 1 noname 0.0233 143 H44 20.2546 -6.7232 -33.9039 H 1 noname 0.0233 144 H45 20.5468 -7.8156 -35.2721 H 1 noname 0.0233 145 H46 20.5961 -6.0561 -35.5055 H 1 noname 0.0233 146 H47 17.4341 -4.3171 -39.8165 H 1 noname 0.1318 147 H48 30.2353 -6.5209 -29.9544 H 1 noname 0.1319 148 H49 27.0382 -1.0121 -36.3947 H 1 noname 0.0279 149 H50 28.5275 -1.9167 -36.7143 H 1 noname 0.0279 150 H51 25.1862 -5.5077 -28.6560 H 1 noname 0.0286 151 H52 25.5692 -3.7915 -28.4289 H 1 noname 0.0286 152 H53 15.6047 -2.0890 -43.2008 H 1 noname 0.0566 153 H54 22.6889 -5.5539 -44.6959 H 1 noname 0.0279 154 H55 23.0198 -3.8152 -44.7847 H 1 noname 0.0279 155 H56 21.0397 -1.9131 -38.5460 H 1 noname 0.0286 156 H57 20.4723 -2.6579 -37.0398 H 1 noname 0.0286 157 H58 13.2556 -3.9097 -43.9244 H 1 noname 0.0290 158 H59 13.6112 -2.3596 -44.6860 H 1 noname 0.0290 159 H60 14.7018 -4.5798 -41.9257 H 1 noname 0.1318 160 H61 15.3531 -4.8872 -44.8623 H 1 noname 0.0298 161 H62 30.8845 -8.5268 -26.2205 H 1 noname 0.0233 162 H63 29.8605 -7.9820 -27.5515 H 1 noname 0.0233 163 H64 29.3807 -7.6462 -25.8754 H 1 noname 0.0233 164 H65 32.3713 -6.9015 -24.9760 H 1 noname 0.0233 165 H66 31.0384 -5.8356 -24.4883 H 1 noname 0.0233 166 H67 32.4051 -5.1937 -25.4143 H 1 noname 0.0233 167 H68 17.4034 -9.5792 -40.3052 H 1 noname 0.0233 168 H69 16.6974 -9.0413 -41.8425 H 1 noname 0.0233 169 H70 18.1320 -8.2531 -41.1888 H 1 noname 0.0233 170 H71 15.2054 -9.3115 -39.0809 H 1 noname 0.0233 171 H72 14.3979 -8.7827 -40.5686 H 1 noname 0.0233 172 H73 14.3315 -7.7772 -39.1106 H 1 noname 0.0233 173 H74 28.3182 0.6022 -34.9715 H 1 noname 0.0425 174 H75 29.8108 -0.3009 -35.2951 H 1 noname 0.0425 175 H76 23.0558 -4.9021 -29.7977 H 1 noname 0.0515 176 H77 23.4430 -3.1748 -29.6238 H 1 noname 0.0515 177 H78 33.2571 -5.0281 -28.1181 H 1 noname 0.0254 178 H79 34.4289 -5.0723 -30.3421 H 1 noname 0.0254 179 H80 33.8548 -4.1155 -31.7324 H 1 noname 0.0254 180 H81 34.5910 -3.3007 -30.3444 H 1 noname 0.0254 181 H82 31.9890 -3.8537 -28.0638 H 1 noname 0.0254 182 H83 33.6695 -3.3263 -28.2242 H 1 noname 0.0254 183 H84 25.0188 -6.0266 -45.5049 H 1 noname 0.0425 184 H85 25.3192 -4.2815 -45.6099 H 1 noname 0.0425 185 H86 31.6748 -2.7781 -31.3337 H 1 noname 0.1321 186 H87 19.0198 -0.4290 -38.5710 H 1 noname 0.0515 187 H88 18.4966 -1.1429 -37.0283 H 1 noname 0.0515 188 H89 16.5941 -3.7519 -46.6838 H 1 noname 0.0233 189 H90 14.6385 -5.0295 -47.2331 H 1 noname 0.0233 190 H91 13.2592 -5.1856 -46.1441 H 1 noname 0.0233 191 H92 13.5458 -3.6541 -47.0013 H 1 noname 0.0233 192 H93 15.6533 -2.2695 -46.4288 H 1 noname 0.0233 193 H94 16.7707 -2.8581 -45.1771 H 1 noname 0.0233 194 H95 33.3874 -0.6513 -28.5381 H 1 noname 0.0590 195 H96 29.5578 1.5755 -36.6995 H 1 noname 0.1184 196 H97 28.1209 1.0251 -37.2762 H 1 noname 0.1184 197 H98 24.7142 -5.2288 -47.6895 H 1 noname 0.1184 198 H99 23.2853 -5.7766 -47.0926 H 1 noname 0.1184 199 H100 12.2052 -2.1869 -42.9104 H 1 noname 0.1271 200 H101 12.1319 -1.3942 -41.4350 H 1 noname 0.1271 201 H102 30.9752 -1.3749 -26.7791 H 1 noname 0.0585 202 H103 32.3796 -2.3216 -26.7615 H 1 noname 0.0585 203 H104 30.5576 0.0083 -28.1275 H 1 noname 0.1319 204 H105 32.3943 2.9543 -29.8951 H 1 noname 0.0563 205 H106 32.5736 -0.9385 -25.2181 H 1 noname 0.2101 206 H107 20.4275 -3.7430 -26.3062 H 1 noname 0.1267 207 H108 21.5390 -4.8325 -26.0119 H 1 noname 0.1267 208 H109 19.9774 -3.4722 -28.0979 H 1 noname 0.1267 209 H110 20.7520 -4.3576 -29.1586 H 1 noname 0.1267 210 H111 33.5128 1.0311 -30.7713 H 1 noname 0.0251 211 H112 34.6648 2.2903 -30.2658 H 1 noname 0.0251 212 H113 34.4261 0.8448 -29.2549 H 1 noname 0.0251 213 H114 21.4378 1.5193 -35.8193 H 1 noname 0.1267 214 H115 20.7067 2.8070 -36.3819 H 1 noname 0.1267 215 H116 18.4458 2.5668 -36.3444 H 1 noname 0.1267 216 H117 18.3365 1.7282 -37.6838 H 1 noname 0.1267 217 H118 34.1055 2.4564 -27.5700 H 1 noname 0.1318 218 H119 31.3472 5.2827 -27.2675 H 1 noname 0.0324 219 H120 31.5682 4.6337 -28.9101 H 1 noname 0.0324 220 H121 32.5257 6.0336 -28.3699 H 1 noname 0.0324 @BOND 1 1 43 2 2 2 50 2 3 3 51 2 4 4 57 2 5 5 61 2 6 6 63 2 7 7 66 2 8 8 69 2 9 9 75 2 10 10 87 2 11 11 90 2 12 12 92 1 13 12 205 1 14 13 95 2 15 14 98 2 16 36 15 1 17 15 50 1 18 15 110 1 19 16 38 1 20 16 43 1 21 16 111 1 22 41 17 1 23 17 51 1 24 17 121 1 25 39 18 1 26 18 57 1 27 18 124 1 28 45 19 1 29 19 63 1 30 19 138 1 31 49 20 1 32 20 61 1 33 20 139 1 34 47 21 1 35 21 66 1 36 21 146 1 37 44 22 1 38 22 75 1 39 22 147 1 40 23 69 1 41 71 23 1 42 23 159 1 43 24 67 1 44 24 90 1 45 24 185 1 46 25 81 1 47 25 195 1 48 25 196 1 49 26 85 1 50 26 197 1 51 26 198 1 52 27 82 1 53 27 93 2 54 28 86 1 55 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217 99 218 1 218 99 219 1 219 99 220 1 @SUBSTRUCTURE 1 noname 1