@MOLECULE 777 829 1 SMALL USER_CHARGES @ATOM 1 C1 39.4520 37.7262 16.0525 C.3 1 noname -0.0339 2 C2 40.2906 36.6883 15.4053 C.2 1 noname 0.0437 3 C3 39.8388 36.0615 14.2252 C.2 1 noname -0.0377 4 N1 40.5693 35.0936 13.5822 N.3 1 noname 0.0361 5 C4 41.7842 34.7331 14.1128 C.2 1 noname 0.0298 6 O1 42.5214 33.8566 13.6048 O.2 1 noname -0.2798 7 N2 42.2492 35.3177 15.2451 N.3 1 noname 0.0797 8 C5 41.5459 36.2726 15.8991 C.2 1 noname 0.0638 9 O2 42.0513 36.7576 16.9371 O.2 1 noname -0.2887 10 C6 40.0317 34.4792 12.3781 C.3 1 noname 0.1250 11 C7 38.7947 33.5879 12.6585 C.3 1 noname 0.0167 12 C8 37.6542 34.3115 11.9360 C.3 1 noname 0.0864 13 C9 38.3933 35.1152 10.8441 C.3 1 noname 0.1084 14 O3 39.6449 35.4950 11.4326 O.3 1 noname -0.3538 15 C10 37.6172 36.3682 10.3670 C.3 1 noname 0.0742 16 O4 36.3098 35.9486 9.9348 O.3 1 noname -0.2779 17 P1 35.2318 37.0894 9.6602 P 1 noname -0.1883 18 S1 35.5157 37.8592 7.9004 S.2 1 noname -0.1418 19 O5 35.2846 38.2122 10.7681 O.3 1 noname -0.4811 20 O6 33.7878 36.4133 9.7113 O.3 1 noname -0.2755 21 C11 33.5005 35.6278 10.8950 C.3 1 noname 0.0885 22 C12 32.5489 36.2938 11.8914 C.3 1 noname 0.0163 23 C13 31.9494 35.0652 12.6238 C.3 1 noname 0.1250 24 O7 32.0161 33.9524 11.7038 O.3 1 noname -0.3538 25 C14 32.6696 34.3903 10.5045 C.3 1 noname 0.1080 26 C15 33.5435 33.2836 9.8689 C.3 1 noname 0.0742 27 O8 32.7167 32.2300 9.3472 O.3 1 noname -0.2779 28 P2 33.4509 31.1708 8.4067 P 1 noname -0.1883 29 S2 32.3280 29.5854 8.3285 S.2 1 noname -0.1418 30 O9 34.8517 30.7672 9.0098 O.3 1 noname -0.4811 31 O10 33.5681 31.7511 6.9244 O.3 1 noname -0.2755 32 C16 34.8023 32.3692 6.4923 C.3 1 noname 0.0888 33 C17 35.8971 31.3732 6.0921 C.3 1 noname 0.0191 34 C18 36.7568 32.2010 5.1116 C.3 1 noname 0.1330 35 O11 35.7982 32.9788 4.3705 O.3 1 noname -0.3513 36 C19 34.5810 33.0839 5.1360 C.3 1 noname 0.1083 37 C20 34.1303 34.5665 5.2396 C.3 1 noname 0.0742 38 O12 33.3069 34.8811 4.0951 O.3 1 noname -0.2779 39 P3 33.1203 36.4267 3.7582 P 1 noname -0.1883 40 S3 34.6521 37.0439 2.7344 S.2 1 noname -0.1418 41 O13 32.9975 37.2784 5.0818 O.3 1 noname -0.4811 42 O14 31.8094 36.5866 2.8604 O.3 1 noname -0.2755 43 C21 30.5437 36.5753 3.5605 C.3 1 noname 0.0885 44 C22 30.1032 37.9689 4.0251 C.3 1 noname 0.0163 45 C23 28.5709 37.8108 4.1691 C.3 1 noname 0.1255 46 O15 28.1944 36.8864 3.1278 O.3 1 noname -0.3538 47 C24 29.3701 36.2354 2.6134 C.3 1 noname 0.1080 48 C25 29.1144 34.7196 2.4630 C.3 1 noname 0.0742 49 O16 28.1004 34.4710 1.4707 O.3 1 noname -0.2779 50 P4 27.3975 33.0355 1.4616 P 1 noname -0.1883 51 S4 26.1840 32.9968 -0.0572 S.2 1 noname -0.1418 52 O17 26.5481 32.8713 2.7826 O.3 1 noname -0.4811 53 O18 28.4318 31.8285 1.2905 O.3 1 noname -0.2755 54 C26 29.0921 31.3464 2.4836 C.3 1 noname 0.0885 55 C27 28.3768 30.2279 3.2559 C.3 1 noname 0.0163 56 C28 29.5360 29.6775 4.1271 C.3 1 noname 0.1250 57 O19 30.7362 29.8444 3.3374 O.3 1 noname -0.3538 58 C29 30.4171 30.6207 2.1653 C.3 1 noname 0.1080 59 C30 31.5818 31.5686 1.7853 C.3 1 noname 0.0742 60 O20 32.5503 30.8412 1.0050 O.3 1 noname -0.2779 61 P5 33.6144 31.7029 0.1874 P 1 noname -0.1883 62 S5 35.2835 30.7057 0.1610 S.2 1 noname -0.1418 63 O21 33.8846 33.0986 0.8735 O.3 1 noname -0.4811 64 O22 33.1340 31.8747 -1.3279 O.3 1 noname -0.2755 65 C31 32.0576 32.7987 -1.6064 C.3 1 noname 0.0888 66 C32 32.4820 34.2750 -1.6097 C.3 1 noname 0.0191 67 C33 31.5206 34.9274 -2.6267 C.3 1 noname 0.1330 68 O23 30.8981 33.8776 -3.3824 O.3 1 noname -0.3513 69 C34 31.5336 32.6362 -3.0518 C.3 1 noname 0.1083 70 C35 30.5222 31.4765 -3.2260 C.3 1 noname 0.0742 71 O24 29.9493 31.5469 -4.5483 O.3 1 noname -0.2779 72 P6 28.9069 30.3973 -4.9119 P 1 noname -0.1883 73 S6 27.3308 30.4987 -3.7794 S.2 1 noname -0.1418 74 O25 29.5956 28.9862 -4.7409 O.3 1 noname -0.4811 75 O26 28.4343 30.5275 -6.4310 O.3 1 noname -0.2755 76 C36 29.3834 31.0617 -7.3791 C.3 1 noname 0.0885 77 C37 30.6834 30.2645 -7.5855 C.3 1 noname 0.0163 78 C38 31.0769 30.5934 -9.0462 C.3 1 noname 0.1255 79 O27 29.9188 31.1712 -9.6831 O.3 1 noname -0.3538 80 C39 28.7949 31.0103 -8.8067 C.3 1 noname 0.1080 81 C40 27.7190 32.0870 -9.0892 C.3 1 noname 0.0742 82 O28 27.2069 31.9013 -10.4229 O.3 1 noname -0.2779 83 P7 26.3734 33.0934 -11.0803 P 1 noname -0.1883 84 S7 26.0457 32.6009 -12.9341 S.2 1 noname -0.1418 85 O29 27.2356 34.4148 -11.0790 O.3 1 noname -0.4811 86 O30 24.9457 33.3134 -10.4012 O.3 1 noname -0.2755 87 C41 24.8524 34.0961 -9.1912 C.3 1 noname 0.0885 88 C42 24.9911 35.6181 -9.3536 C.3 1 noname 0.0163 89 C43 24.2461 36.1569 -8.1083 C.3 1 noname 0.1255 90 O31 23.2808 35.1543 -7.7377 O.3 1 noname -0.3538 91 C44 23.4144 34.0364 -8.6282 C.3 1 noname 0.1080 92 C45 23.0656 32.7249 -7.8897 C.3 1 noname 0.0742 93 O32 21.6837 32.7935 -7.4847 O.3 1 noname -0.2779 94 P8 21.0951 31.5366 -6.6999 P 1 noname -0.1883 95 S8 20.6469 32.0754 -4.8881 S.2 1 noname -0.1418 96 O33 22.1223 30.3377 -6.6328 O.3 1 noname -0.4811 97 O34 19.7606 31.0325 -7.4197 O.3 1 noname -0.2755 98 C46 19.8231 30.9057 -8.8587 C.3 1 noname 0.0885 99 C47 20.8000 29.8402 -9.3949 C.3 1 noname 0.0163 100 C48 20.1690 29.3821 -10.7286 C.3 1 noname 0.1255 101 O35 18.8322 29.9139 -10.7560 O.3 1 noname -0.3538 102 C49 18.4919 30.3744 -9.4359 C.3 1 noname 0.1080 103 C50 17.3431 31.4075 -9.5555 C.3 1 noname 0.0742 104 O36 16.8207 31.8250 -8.2682 O.3 1 noname -0.2779 105 P9 15.5863 32.8379 -8.3644 P 1 noname -0.1883 106 S9 14.0603 31.9901 -9.2214 S.2 1 noname -0.1418 107 O37 15.9961 34.0818 -9.2487 O.3 1 noname -0.4811 108 O38 15.1127 33.3235 -6.9149 O.3 1 noname -0.2755 109 C51 15.9968 34.1710 -6.1433 C.3 1 noname 0.0885 110 C52 16.2657 35.5618 -6.7529 C.3 1 noname 0.0163 111 C53 16.4157 36.5125 -5.5434 C.3 1 noname 0.1255 112 O39 16.0643 35.7567 -4.3744 O.3 1 noname -0.3538 113 C54 15.3314 34.6023 -4.8111 C.3 1 noname 0.1080 114 C55 15.3300 33.5498 -3.6778 C.3 1 noname 0.0742 115 O40 14.5621 34.1004 -2.5837 O.3 1 noname -0.2779 116 P10 14.5527 33.3527 -1.1739 P 1 noname -0.1883 117 S10 14.1404 34.6982 0.1708 S.2 1 noname -0.1418 118 O41 15.9699 32.7524 -0.8283 O.3 1 noname -0.4811 119 O42 13.4000 32.2504 -1.0940 O.3 1 noname -0.2755 120 C56 13.6193 30.9769 -1.7359 C.3 1 noname 0.0888 121 C57 14.4580 29.9769 -0.9308 C.3 1 noname 0.0191 122 C58 14.0328 28.6334 -1.5599 C.3 1 noname 0.1330 123 O43 12.6166 28.7855 -1.7749 O.3 1 noname -0.3513 124 C59 12.2909 30.1874 -1.8854 C.3 1 noname 0.1083 125 C60 11.5091 30.5001 -3.1974 C.3 1 noname 0.0742 126 O44 10.6035 29.4384 -3.5632 O.3 1 noname -0.2779 127 P11 9.0649 29.5665 -3.1729 P 1 noname -0.1883 128 S11 8.0785 30.3095 -4.6725 S.2 1 noname -0.1418 129 O45 8.8565 30.4742 -1.8999 O.3 1 noname -0.4811 130 O46 8.4878 28.1070 -2.8810 O.3 1 noname -0.2755 131 C61 9.2799 27.2934 -1.9856 C.3 1 noname 0.0885 132 C62 9.2286 27.7147 -0.5080 C.3 1 noname 0.0163 133 C63 9.4674 26.3946 0.2672 C.3 1 noname 0.1255 134 O47 9.3381 25.3249 -0.6897 O.3 1 noname -0.3538 135 C64 8.7323 25.8556 -1.8822 C.3 1 noname 0.1080 136 C65 9.0543 24.9328 -3.0858 C.3 1 noname 0.0742 137 O48 8.3959 25.3692 -4.2997 O.3 1 noname -0.2779 138 P12 8.1549 24.2247 -5.3883 P 1 noname -0.1883 139 S12 6.5967 23.1797 -4.8783 S.2 1 noname -0.1418 140 O49 9.4040 23.2585 -5.4640 O.3 1 noname -0.4811 141 O50 7.8797 24.8607 -6.8282 O.3 1 noname -0.2755 142 C66 8.9433 25.6276 -7.4425 C.3 1 noname 0.0885 143 C67 10.2022 24.8346 -7.8405 C.3 1 noname 0.0163 144 C68 10.7191 25.5250 -9.1216 C.3 1 noname 0.1250 145 O51 9.6391 26.2872 -9.6740 O.3 1 noname -0.3538 146 C69 8.4849 26.1408 -8.8342 C.3 1 noname 0.1080 147 C70 7.7299 27.4917 -8.8217 C.3 1 noname 0.0742 148 O52 7.0375 27.6116 -10.0832 O.3 1 noname -0.2779 149 P13 6.0565 28.8481 -10.2975 P 1 noname -0.1883 150 S13 6.0756 29.2835 -12.1927 S.2 1 noname -0.1418 151 O53 6.5367 30.1154 -9.4903 O.3 1 noname -0.4811 152 O54 4.5508 28.4745 -9.9193 O.3 1 noname -0.2755 153 C71 4.3107 28.0222 -8.5717 C.3 1 noname 0.0888 154 C72 4.4101 29.1159 -7.4945 C.3 1 noname 0.0191 155 C73 3.4251 28.6314 -6.4034 C.3 1 noname 0.1330 156 O55 2.7147 27.5015 -6.9372 O.3 1 noname -0.3513 157 C74 2.8568 27.5606 -8.3648 C.3 1 noname 0.1083 158 C75 2.5289 26.1997 -9.0231 C.3 1 noname 0.0742 159 O56 1.1362 25.9277 -8.7903 O.3 1 noname -0.2779 160 P14 0.4213 24.8813 -9.7559 P 1 noname -0.1883 161 S14 1.1579 23.0996 -9.5255 S.2 1 noname -0.1418 162 O57 0.5683 25.3298 -11.2620 O.3 1 noname -0.4811 163 O58 -1.1306 24.8492 -9.3857 O.3 1 noname -0.2755 164 C76 -1.7587 26.1447 -9.2477 C.3 1 noname 0.0885 165 C77 -2.1290 26.8459 -10.5603 C.3 1 noname 0.0163 166 C78 -3.2384 27.8246 -10.1041 C.3 1 noname 0.1250 167 O59 -3.8287 27.2554 -8.9151 O.3 1 noname -0.3538 168 C79 -3.1567 26.0226 -8.6115 C.3 1 noname 0.1080 169 C80 -3.1105 25.7635 -7.0883 C.3 1 noname 0.0742 170 O60 -4.4589 25.6764 -6.5976 O.3 1 noname -0.2779 171 P15 -4.6670 25.6631 -5.0180 P 1 noname -0.1883 172 S15 -6.5712 25.9110 -4.7036 S.2 1 noname -0.1418 173 O61 -3.9080 26.8742 -4.3495 O.3 1 noname -0.4811 174 O62 -4.2624 24.2668 -4.3625 O.3 1 noname -0.2755 175 C81 -2.8841 24.0141 -4.0104 C.3 1 noname 0.0885 176 C82 -2.3299 24.8231 -2.8244 C.3 1 noname 0.0163 177 C83 -1.3694 23.8412 -2.1101 C.3 1 noname 0.1250 178 O63 -1.5644 22.5387 -2.6843 O.3 1 noname -0.3538 179 C84 -2.7561 22.5692 -3.4765 C.3 1 noname 0.1080 180 C85 -2.6819 21.4885 -4.5835 C.3 1 noname 0.0742 181 O64 -2.4274 20.2194 -3.9514 O.3 1 noname -0.2779 182 P16 -2.5142 18.9253 -4.8770 P 1 noname -0.1883 183 S16 -1.1255 18.9355 -6.2349 S.2 1 noname -0.1418 184 O65 -3.9349 18.8711 -5.5642 O.3 1 noname -0.4811 185 O66 -2.3515 17.5990 -3.9998 O.3 1 noname -0.2755 186 C86 -2.5929 17.7134 -2.5792 C.3 1 noname 0.0885 187 C87 -4.0243 18.1121 -2.1653 C.3 1 noname 0.0163 188 C88 -4.3162 17.2807 -0.8914 C.3 1 noname 0.1255 189 O67 -3.1325 16.5028 -0.6382 O.3 1 noname -0.3538 190 C89 -2.4435 16.3421 -1.8850 C.3 1 noname 0.1080 191 C90 -0.9843 15.9035 -1.6123 C.3 1 noname 0.0742 192 O68 -0.9971 14.5880 -1.0196 O.3 1 noname -0.2779 193 P17 0.2378 14.1519 -0.1060 P 1 noname -0.1883 194 S17 -0.1857 12.4078 0.6431 S.2 1 noname -0.1418 195 O69 0.3898 15.1703 1.0904 O.3 1 noname -0.4811 196 O70 1.5996 13.9977 -0.9247 O.3 1 noname -0.2755 197 C91 2.3572 15.1955 -1.1932 C.3 1 noname 0.0885 198 C92 3.2437 15.7116 -0.0509 C.3 1 noname 0.0163 199 C93 4.2313 16.6237 -0.8200 C.3 1 noname 0.1255 200 O71 4.3674 16.0499 -2.1372 O.3 1 noname -0.3538 201 C94 3.4496 14.9496 -2.2572 C.3 1 noname 0.1080 202 C95 2.8868 14.8202 -3.6907 C.3 1 noname 0.0742 203 O72 3.9606 14.8984 -4.6477 O.3 1 noname -0.2779 204 P18 3.5569 15.0451 -6.1855 P 1 noname -0.1883 205 S18 5.1716 15.4904 -7.1732 S.2 1 noname -0.1418 206 O73 2.5229 16.2234 -6.3736 O.3 1 noname -0.4811 207 O74 2.9982 13.6743 -6.7771 O.3 1 noname -0.2755 208 C96 1.5985 13.3829 -6.5891 C.3 1 noname 0.0888 209 C97 0.6637 13.9491 -7.6661 C.3 1 noname 0.0190 210 C98 -0.5605 13.0168 -7.5253 C.3 1 noname 0.1313 211 O75 -0.0849 11.7650 -6.9849 O.3 1 noname -0.3513 212 C99 1.3293 11.8742 -6.7658 C.3 1 noname 0.1083 213 C100 1.8001 11.0061 -5.5742 C.3 1 noname 0.0742 214 O76 1.5123 9.6222 -5.8677 O.3 1 noname -0.2779 215 P19 2.1816 8.5502 -4.8969 P 1 noname -0.1883 216 S19 1.5242 8.7291 -3.0773 S.2 1 noname -0.1418 217 O77 3.7510 8.7328 -4.9000 O.3 1 noname -0.4811 218 O78 1.8572 7.0705 -5.3956 O.3 1 noname -0.2755 219 C101 1.8285 6.8192 -6.8193 C.3 1 noname 0.0885 220 C102 3.1282 7.0756 -7.6092 C.3 1 noname 0.0163 221 C103 3.2077 5.9138 -8.6306 C.3 1 noname 0.1255 222 O79 2.0858 5.0487 -8.3695 O.3 1 noname -0.3538 223 C104 1.6095 5.3049 -7.0413 C.3 1 noname 0.1080 224 C105 0.1334 4.8275 -6.8845 C.3 1 noname 0.0742 225 O80 0.0969 3.5622 -6.1865 O.3 1 noname -0.2779 226 P20 -1.2898 2.7736 -6.0958 P 1 noname -0.1883 227 S20 -0.8599 0.8761 -6.0549 S.2 1 noname -0.1418 228 O81 -2.1987 3.0375 -7.3579 O.3 1 noname -0.4811 229 O82 -2.0905 3.0846 -4.7511 O.3 1 noname -0.2755 230 C106 -2.6307 4.4067 -4.5590 C.3 1 noname 0.0885 231 C107 -3.8836 4.7589 -5.3700 C.3 1 noname 0.0163 232 C108 -4.5349 5.8694 -4.5112 C.3 1 noname 0.1250 233 O83 -4.1335 5.6214 -3.1461 O.3 1 noname -0.3538 234 C109 -3.1714 4.5577 -3.1184 C.3 1 noname 0.1080 235 C110 -2.0409 4.7960 -2.0834 C.3 1 noname 0.0742 236 O84 -2.5528 5.3048 -0.8371 O.3 1 noname -0.2779 237 P21 -1.4916 5.9071 0.1971 P 1 noname -0.1883 238 S21 -2.5000 6.6844 1.6670 S.2 1 noname -0.1418 239 O85 -0.6495 7.0549 -0.4846 O.3 1 noname -0.4811 240 O86 -0.5378 4.7878 0.8144 O.3 1 noname -0.2755 241 C111 0.5939 4.3447 0.0335 C.3 1 noname 0.0888 242 C112 1.8816 5.1602 0.1936 C.3 1 noname 0.0191 243 C113 2.9555 4.1255 -0.2174 C.3 1 noname 0.1330 244 O87 2.4128 2.8120 0.0290 O.3 1 noname -0.3513 245 C114 1.0720 2.9607 0.5220 C.3 1 noname 0.1083 246 C115 0.1532 1.7993 0.0690 C.3 1 noname 0.0742 247 O88 0.6370 0.5633 0.6339 O.3 1 noname -0.2779 248 P22 -0.3653 -0.6752 0.5597 P 1 noname -0.1883 249 S22 -0.8052 -1.1190 -1.2803 S.2 1 noname -0.1418 250 O89 -1.6896 -0.3351 1.3513 O.3 1 noname -0.4811 251 O90 0.2876 -1.9631 1.2370 O.3 1 noname -0.2755 252 C116 1.1239 -1.7504 2.3938 C.3 1 noname 0.0885 253 C117 0.4474 -1.2116 3.6652 C.3 1 noname 0.0163 254 C118 1.2966 -1.8226 4.8092 C.3 1 noname 0.1255 255 O91 2.1361 -2.8402 4.2266 O.3 1 noname -0.3538 256 C119 1.6533 -3.1074 2.9056 C.3 1 noname 0.1080 257 C120 2.7665 -3.7011 2.0123 C.3 1 noname 0.0742 258 O92 3.3090 -4.8904 2.6146 O.3 1 noname -0.2779 259 P23 4.7234 -5.3945 2.0714 P 1 noname -0.1883 260 S23 5.2441 -6.9214 3.1581 S.2 1 noname -0.1418 261 O93 5.8050 -4.2624 2.2686 O.3 1 noname -0.4811 262 O94 4.6627 -5.8898 0.5567 O.3 1 noname -0.2755 263 C121 4.7446 -4.9149 -0.5065 C.3 1 noname 0.0885 264 C122 6.1480 -4.3918 -0.8411 C.3 1 noname 0.0163 265 C123 5.9857 -3.9351 -2.3128 C.3 1 noname 0.1250 266 O95 4.9428 -4.7561 -2.8801 O.3 1 noname -0.3538 267 C124 4.3852 -5.5850 -1.8489 C.3 1 noname 0.1084 268 C125 2.8655 -5.7857 -2.0535 C.3 1 noname 0.0721 269 O96 2.6149 -6.4371 -3.2941 O.3 1 noname -0.3934 270 N3 5.7474 -2.4915 -2.4096 N.3 1 noname 0.0361 271 C126 4.4692 -1.9964 -2.5968 C.2 1 noname -0.0377 272 C127 4.2379 -0.5679 -2.6600 C.2 1 noname 0.0437 273 C128 5.4453 0.2680 -2.5123 C.2 1 noname 0.0638 274 O97 5.5118 1.5460 -2.5265 O.2 1 noname -0.2887 275 N4 6.7019 -0.2847 -2.3300 N.3 1 noname 0.0797 276 C129 6.8238 -1.6324 -2.2814 C.2 1 noname 0.0298 277 O98 7.9960 -2.0411 -2.1034 O.2 1 noname -0.2798 278 C130 2.8960 0.0123 -2.8518 C.3 1 noname -0.0339 279 N5 2.0544 -0.8121 5.5307 N.3 1 noname 0.0543 280 C131 3.3437 -0.5080 5.1664 C.2 1 noname -0.0523 281 C132 4.0896 0.4654 5.8522 C.2 1 noname -0.0084 282 C133 3.4739 1.1313 6.9230 C.2 1 noname -0.0358 283 N6 2.1959 0.8247 7.2479 N.2 1 noname -0.1588 284 C134 1.4887 -0.1181 6.5757 C.2 1 noname 0.1019 285 O99 0.3108 -0.3033 6.9610 O.2 1 noname -0.2488 286 N7 4.1285 2.0691 7.6289 N.3 1 noname -0.1313 287 N8 3.3279 4.2591 -1.6035 N.3 1 noname 0.0254 288 C135 2.7040 3.7204 -2.6792 C.2 1 noname -0.0205 289 N9 3.3232 4.0346 -3.8324 N.2 1 noname -0.1980 290 C136 4.3619 4.7998 -3.4768 C.2 1 noname 0.0953 291 C137 4.3690 4.9530 -2.0954 C.2 1 noname 0.0396 292 N10 5.3244 5.6954 -1.4798 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N.2 1 noname -0.1588 388 C189 10.8541 27.0582 2.1759 C.2 1 noname 0.1019 389 O114 9.8804 27.5883 2.7594 O.2 1 noname -0.2488 390 N41 14.3458 26.7917 2.9306 N.3 1 noname -0.1313 391 N42 14.7361 28.3131 -2.7849 N.3 1 noname 0.0254 392 C190 14.2040 28.1337 -4.0185 C.2 1 noname -0.0205 393 N43 15.1391 27.9071 -4.9595 N.2 1 noname -0.1980 394 C191 16.3011 27.9110 -4.2983 C.2 1 noname 0.0953 395 C192 16.0620 28.1313 -2.9450 C.2 1 noname 0.0396 396 N44 17.0872 28.1330 -2.0531 N.2 1 noname -0.2035 397 C193 18.3640 27.9249 -2.4862 C.2 1 noname -0.0771 398 N45 18.6190 27.7392 -3.8163 N.3 1 noname 0.0507 399 C194 17.6202 27.7297 -4.7447 C.2 1 noname 0.0884 400 O115 17.8778 27.5612 -5.9583 O.2 1 noname -0.2752 401 N46 19.3737 27.8925 -1.5980 N.3 1 noname -0.1233 402 N47 17.7547 37.0741 -5.4807 N.3 1 noname 0.0555 403 C195 18.7896 36.3385 -4.9573 C.2 1 noname -0.0479 404 C196 20.1198 36.8180 -4.9438 C.2 1 noname -0.0028 405 C197 20.3389 38.0904 -5.5163 C.2 1 noname -0.0324 406 N48 19.2966 38.7929 -6.0147 N.2 1 noname -0.1575 407 C198 18.0307 38.3145 -6.0018 C.2 1 noname 0.1024 408 O116 17.1603 39.0582 -6.5103 O.2 1 noname -0.2488 409 N49 21.5576 38.6567 -5.6010 N.3 1 noname -0.1300 410 C199 21.2301 36.0243 -4.3623 C.3 1 noname -0.0356 411 N50 20.9747 29.7913 -11.8719 N.3 1 noname 0.0555 412 C200 20.8726 31.0651 -12.3760 C.2 1 noname -0.0479 413 C201 21.6748 31.5175 -13.4497 C.2 1 noname -0.0028 414 C202 22.6048 30.5950 -13.9786 C.2 1 noname -0.0324 415 N51 22.6790 29.3473 -13.4615 N.2 1 noname -0.1575 416 C203 21.8921 28.9391 -12.4376 C.2 1 noname 0.1024 417 O117 22.0743 27.7638 -12.0439 O.2 1 noname -0.2488 418 N52 23.4439 30.8962 -14.9895 N.3 1 noname -0.1300 419 C204 21.5496 32.8929 -13.9925 C.3 1 noname -0.0356 420 N53 25.1872 36.4825 -7.0445 N.3 1 noname 0.0555 421 C205 25.4943 35.5727 -6.0619 C.2 1 noname -0.0479 422 C206 26.4725 35.8300 -5.0756 C.2 1 noname -0.0028 423 C207 27.1113 37.0887 -5.1346 C.2 1 noname -0.0324 424 N54 26.7726 37.9733 -6.1007 N.2 1 noname -0.1575 425 C208 25.8384 37.6925 -7.0395 C.2 1 noname 0.1024 426 O118 25.6307 38.5865 -7.8927 O.2 1 noname -0.2488 427 N55 28.0689 37.4606 -4.2665 N.3 1 noname -0.1300 428 C209 26.8158 34.8205 -4.0430 C.3 1 noname -0.0356 429 N56 32.2467 31.4574 -9.1102 N.3 1 noname 0.0555 430 C210 32.1092 32.8237 -9.0974 C.2 1 noname -0.0479 431 C211 33.2216 33.6936 -9.1536 C.2 1 noname -0.0028 432 C212 34.4966 33.0880 -9.2076 C.2 1 noname -0.0324 433 N57 34.5998 31.7389 -9.1996 N.2 1 noname -0.1575 434 C213 33.5146 30.9300 -9.1493 C.2 1 noname 0.1024 435 O119 33.7459 29.6986 -9.1319 O.2 1 noname -0.2488 436 N58 35.6403 33.7976 -9.2649 N.3 1 noname -0.1300 437 C214 33.0543 35.1681 -9.1547 C.3 1 noname -0.0356 438 N59 30.5241 35.7355 -1.9812 N.3 1 noname 0.0254 439 C215 29.3292 35.3308 -1.4913 C.2 1 noname -0.0205 440 N60 28.6404 36.3536 -0.9491 N.2 1 noname -0.1980 441 C216 29.4326 37.4255 -1.0830 C.2 1 noname 0.0953 442 C217 30.6071 37.0503 -1.7222 C.2 1 noname 0.0396 443 N61 31.5899 37.9515 -1.9724 N.2 1 noname -0.2035 444 C218 31.4238 39.2472 -1.5882 C.2 1 noname -0.0771 445 N62 30.2786 39.6401 -0.9569 N.3 1 noname 0.0507 446 C219 29.2705 38.7630 -0.6895 C.2 1 noname 0.0884 447 O120 28.2352 39.1460 -0.1013 O.2 1 noname -0.2752 448 N63 32.3951 40.1393 -1.8348 N.3 1 noname -0.1233 449 N64 29.5660 30.3677 5.4161 N.3 1 noname 0.0361 450 C220 30.2781 31.5309 5.5797 C.2 1 noname -0.0377 451 C221 30.1359 32.3509 6.7189 C.2 1 noname 0.0437 452 C222 29.3359 31.8446 7.7626 C.2 1 noname 0.0638 453 O121 29.1692 32.4749 8.8319 O.2 1 noname -0.2887 454 N65 28.7104 30.6521 7.6169 N.3 1 noname 0.0797 455 C223 28.8017 29.9302 6.4711 C.2 1 noname 0.0298 456 O122 28.1326 28.8714 6.4324 O.2 1 noname -0.2798 457 C224 30.7673 33.6896 6.7894 C.3 1 noname -0.0339 458 N66 28.1853 37.4093 5.5194 N.3 1 noname 0.0543 459 C225 27.6777 36.1608 5.7883 C.2 1 noname -0.0523 460 C226 27.3867 35.7482 7.1000 C.2 1 noname -0.0084 461 C227 27.6138 36.6611 8.1405 C.2 1 noname -0.0358 462 N67 28.0667 37.9016 7.8456 N.2 1 noname -0.1588 463 C228 28.3386 38.2837 6.5729 C.2 1 noname 0.1019 464 O123 28.7383 39.4628 6.4296 O.2 1 noname -0.2488 465 N68 27.3924 36.3277 9.4233 N.3 1 noname -0.1313 466 N69 37.7627 33.0234 5.7490 N.3 1 noname 0.0254 467 C229 37.9495 34.3594 5.6152 C.2 1 noname -0.0205 468 N70 38.9812 34.8076 6.3562 N.2 1 noname -0.1980 469 C230 39.4716 33.7242 6.9691 C.2 1 noname 0.0953 470 C231 38.7308 32.6113 6.5896 C.2 1 noname 0.0396 471 N71 39.0351 31.3794 7.0722 N.2 1 noname -0.2035 472 C232 40.0655 31.2305 7.9492 C.2 1 noname -0.0771 473 N72 40.8041 32.3113 8.3350 N.3 1 noname 0.0507 474 C233 40.5400 33.5628 7.8661 C.2 1 noname 0.0884 475 O124 41.2336 34.5362 8.2352 O.2 1 noname -0.2752 476 N73 40.3480 30.0140 8.4395 N.3 1 noname -0.1233 477 N74 32.6235 34.8061 13.8915 N.3 1 noname 0.0361 478 C234 33.6042 33.8498 13.9974 C.2 1 noname -0.0377 479 C235 34.2788 33.5916 15.2107 C.2 1 noname 0.0437 480 C236 33.8917 34.3659 16.3243 C.2 1 noname 0.0638 481 O125 34.4166 34.2152 17.4514 O.2 1 noname -0.2887 482 N75 32.9287 35.3080 16.1953 N.3 1 noname 0.0797 483 C237 32.3058 35.5352 15.0126 C.2 1 noname 0.0298 484 O126 31.4396 36.4409 15.0109 O.2 1 noname -0.2798 485 C238 35.3432 32.5633 15.3105 C.3 1 noname -0.0339 486 O127 36.7056 33.4038 11.3826 O.3 1 noname -0.3900 487 H1 39.5284 37.6317 17.1357 H 1 noname 0.0282 488 H2 39.7979 38.7142 15.7487 H 1 noname 0.0282 489 H3 38.4134 37.5956 15.7487 H 1 noname 0.0282 490 H4 38.8790 36.3384 13.7891 H 1 noname 0.0762 491 H5 43.1461 35.0334 15.6123 H 1 noname 0.1418 492 H6 40.8655 33.9121 11.9642 H 1 noname 0.0788 493 H7 38.9475 32.6289 12.1634 H 1 noname 0.0335 494 H8 38.5866 33.6221 13.7279 H 1 noname 0.0335 495 H9 36.9997 34.8935 12.5849 H 1 noname 0.0629 496 H10 38.5869 34.5065 9.9608 H 1 noname 0.0655 497 H11 37.4517 37.0158 11.2280 H 1 noname 0.0587 498 H12 38.1126 36.7590 9.4783 H 1 noname 0.0587 499 H13 34.5083 35.4835 11.2845 H 1 noname 0.0625 500 H14 33.1456 36.8651 12.6025 H 1 noname 0.0334 501 H15 31.7548 36.7841 11.3283 H 1 noname 0.0334 502 H16 30.9073 35.1768 12.9230 H 1 noname 0.0788 503 H17 31.8808 34.6207 9.7884 H 1 noname 0.0655 504 H18 34.0452 33.7113 9.0009 H 1 noname 0.0587 505 H19 34.1288 32.8220 10.6642 H 1 noname 0.0587 506 H20 35.0419 32.9664 7.3720 H 1 noname 0.0625 507 H21 36.4974 31.1556 6.9755 H 1 noname 0.0338 508 H22 35.4298 30.5600 5.5368 H 1 noname 0.0338 509 H23 37.3790 31.6095 4.4399 H 1 noname 0.0824 510 H24 33.7993 32.5596 4.5863 H 1 noname 0.0655 511 H25 33.4783 34.6634 6.1077 H 1 noname 0.0587 512 H26 35.0146 35.1974 5.1492 H 1 noname 0.0587 513 H27 30.7767 35.8627 4.3517 H 1 noname 0.0625 514 H28 30.5242 38.1439 5.0152 H 1 noname 0.0334 515 H29 30.3006 38.6729 3.2167 H 1 noname 0.0334 516 H30 27.9749 38.7144 4.0415 H 1 noname 0.0788 517 H31 29.5660 36.6338 1.6179 H 1 noname 0.0655 518 H32 30.0227 34.2674 2.0647 H 1 noname 0.0587 519 H33 28.6923 34.3593 3.4011 H 1 noname 0.0587 520 H34 29.1275 32.3039 3.0032 H 1 noname 0.0625 521 H35 27.6341 30.6831 3.9110 H 1 noname 0.0334 522 H36 28.0778 29.4568 2.5459 H 1 noname 0.0334 523 H37 29.4830 28.6249 4.4053 H 1 noname 0.0788 524 H38 30.2966 29.9399 1.3227 H 1 noname 0.0655 525 H39 31.1883 32.3375 1.1204 H 1 noname 0.0587 526 H40 32.0986 31.8531 2.7019 H 1 noname 0.0587 527 H41 31.3808 32.5286 -0.7957 H 1 noname 0.0625 528 H42 32.2647 34.6889 -0.6250 H 1 noname 0.0338 529 H43 33.4925 34.3328 -2.0142 H 1 noname 0.0338 530 H44 32.0206 35.6073 -3.3164 H 1 noname 0.0824 531 H45 32.3578 32.4570 -3.7422 H 1 noname 0.0655 532 H46 31.0755 30.5379 -3.1949 H 1 noname 0.0587 533 H47 29.6940 31.6440 -2.5374 H 1 noname 0.0587 534 H48 29.5492 32.0268 -6.9003 H 1 noname 0.0625 535 H49 31.4435 30.6842 -6.9265 H 1 noname 0.0334 536 H50 30.4397 29.2036 -7.5303 H 1 noname 0.0334 537 H51 31.3739 29.7272 -9.6374 H 1 noname 0.0788 538 H52 28.3207 30.0495 -9.0071 H 1 noname 0.0655 539 H53 26.8756 31.9053 -8.4229 H 1 noname 0.0587 540 H54 28.2085 33.0609 -9.0956 H 1 noname 0.0587 541 H55 25.6722 33.6341 -8.6410 H 1 noname 0.0625 542 H56 26.0464 35.8745 -9.2596 H 1 noname 0.0334 543 H57 24.4347 35.9165 -10.2421 H 1 noname 0.0334 544 H58 23.6950 37.0862 -8.2527 H 1 noname 0.0788 545 H59 22.6899 34.1378 -9.4362 H 1 noname 0.0655 546 H60 23.1269 31.9046 -8.6049 H 1 noname 0.0587 547 H61 23.6456 32.6885 -6.9676 H 1 noname 0.0587 548 H62 20.1139 31.9313 -9.0858 H 1 noname 0.0625 549 H63 21.7431 30.3366 -9.6234 H 1 noname 0.0334 550 H64 20.7818 28.9943 -8.7077 H 1 noname 0.0334 551 H65 20.0920 28.3022 -10.8543 H 1 noname 0.0788 552 H66 18.1109 29.5697 -8.8072 H 1 noname 0.0655 553 H67 17.7666 32.3128 -9.9905 H 1 noname 0.0587 554 H68 16.5079 30.9067 -10.0452 H 1 noname 0.0587 555 H69 16.8638 33.5111 -6.1101 H 1 noname 0.0625 556 H70 17.2284 35.5188 -7.2623 H 1 noname 0.0334 557 H71 15.3721 35.8607 -7.3008 H 1 noname 0.0334 558 H72 15.7720 37.3920 -5.5603 H 1 noname 0.0788 559 H73 14.2847 34.8490 -4.9891 H 1 noname 0.0655 560 H74 14.7802 32.6743 -4.0234 H 1 noname 0.0587 561 H75 16.3498 33.4421 -3.3083 H 1 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1 noname 0.0338 642 H156 3.8913 4.2348 0.3308 H 1 noname 0.0824 643 H157 1.1144 2.9047 1.6097 H 1 noname 0.0655 644 H158 -0.8316 1.9570 0.5087 H 1 noname 0.0587 645 H159 0.2567 1.6886 -1.0104 H 1 noname 0.0587 646 H160 1.8128 -1.0284 1.9552 H 1 noname 0.0625 647 H161 0.5801 -0.1298 3.6834 H 1 noname 0.0334 648 H162 -0.5540 -1.6388 3.7194 H 1 noname 0.0334 649 H163 0.7105 -2.2959 5.5970 H 1 noname 0.0788 650 H164 0.8707 -3.8636 2.9673 H 1 noname 0.0655 651 H165 2.3062 -4.0335 1.0818 H 1 noname 0.0587 652 H166 3.5910 -2.9885 1.9883 H 1 noname 0.0587 653 H167 4.0893 -4.1508 -0.0884 H 1 noname 0.0625 654 H168 6.3380 -3.5121 -0.2262 H 1 noname 0.0334 655 H169 6.8393 -5.2341 -0.8159 H 1 noname 0.0334 656 H170 6.8632 -4.0652 -2.9461 H 1 noname 0.0788 657 H171 4.8428 -6.5710 -1.9297 H 1 noname 0.0655 658 H172 2.5114 -6.4800 -1.2915 H 1 noname 0.0591 659 H173 2.4056 -4.8024 -2.1509 H 1 noname 0.0591 660 H174 2.6406 -7.3883 -3.1670 H 1 noname 0.2101 661 H175 3.6588 -2.7190 -2.6927 H 1 noname 0.0762 662 H176 7.5252 0.2922 -2.2329 H 1 noname 0.1418 663 H177 2.4427 0.2083 -1.8801 H 1 noname 0.0282 664 H178 2.9799 0.9457 -3.4085 H 1 noname 0.0282 665 H179 2.2735 -0.6881 -3.4085 H 1 noname 0.0282 666 H180 3.7796 -1.0451 4.3240 H 1 noname 0.0759 667 H181 5.1146 0.6969 5.5624 H 1 noname 0.0666 668 H182 5.0917 1.9209 7.8941 H 1 noname 0.1257 669 H183 3.6572 2.9222 7.8941 H 1 noname 0.1257 670 H184 1.8064 3.1045 -2.6234 H 1 noname 0.1016 671 H185 7.0385 6.6009 -4.1189 H 1 noname 0.1400 672 H186 8.1367 6.5932 -1.3901 H 1 noname 0.1268 673 H187 7.0789 7.9866 -1.3901 H 1 noname 0.1268 674 H188 -2.8200 7.5430 -3.4104 H 1 noname 0.0762 675 H189 -4.8074 9.2900 -7.4409 H 1 noname 0.1418 676 H190 -2.1111 9.9273 -2.8989 H 1 noname 0.0282 677 H191 -0.9201 9.7700 -4.2123 H 1 noname 0.0282 678 H192 -2.0710 11.1279 -4.2123 H 1 noname 0.0282 679 H193 1.1928 6.1570 -10.3314 H 1 noname 0.0759 680 H194 1.2790 6.9816 -12.7114 H 1 noname 0.0666 681 H195 2.7158 7.9484 -14.4374 H 1 noname 0.1257 682 H196 4.4576 7.9484 -14.2750 H 1 noname 0.1257 683 H197 -0.9865 12.8200 -4.7496 H 1 noname 0.1016 684 H198 -2.9617 14.2311 -9.0868 H 1 noname 0.0293 685 H199 -3.7225 15.6520 -8.3315 H 1 noname 0.0293 686 H200 -1.9747 15.6520 -8.6683 H 1 noname 0.0293 687 H201 -4.8617 14.6568 -3.8777 H 1 noname 0.1384 688 H202 -6.4132 15.2576 -2.1861 H 1 noname 0.0564 689 H203 -8.0744 15.2576 -3.0831 H 1 noname 0.0564 690 H204 -6.4425 17.6569 -5.1540 H 1 noname 0.1252 691 H205 -7.9466 16.7636 -5.1540 H 1 noname 0.1252 692 H206 2.9407 17.8724 -2.7761 H 1 noname 0.0761 693 H207 2.7629 22.5842 -0.4768 H 1 noname 0.1258 694 H208 1.1479 21.9118 -0.4768 H 1 noname 0.1258 695 H209 1.2227 19.4439 -3.5547 H 1 noname 0.0281 696 H210 0.8072 20.8944 -2.6104 H 1 noname 0.0281 697 H211 2.2496 20.8944 -3.6533 H 1 noname 0.0281 698 H212 -2.8738 18.0566 1.1865 H 1 noname 0.0761 699 H213 -5.5061 20.9096 3.9794 H 1 noname 0.1258 700 H214 -7.0586 20.9096 3.1731 H 1 noname 0.1258 701 H215 -2.9374 18.7735 3.8388 H 1 noname 0.0281 702 H216 -2.5147 20.2665 2.9667 H 1 noname 0.0281 703 H217 -3.8616 20.2665 4.1304 H 1 noname 0.0281 704 H218 0.0888 23.7712 -4.2777 H 1 noname 0.0762 705 H219 2.5788 25.2525 -0.4243 H 1 noname 0.1418 706 H220 2.8100 23.1177 -5.0884 H 1 noname 0.0282 707 H221 2.1008 24.6464 -5.6615 H 1 noname 0.0282 708 H222 3.6951 24.6464 -4.8699 H 1 noname 0.0282 709 H223 -2.4867 28.9330 -7.8214 H 1 noname 0.0762 710 H224 -1.8086 31.8155 -11.6292 H 1 noname 0.1418 711 H225 -1.0579 30.4387 -6.4964 H 1 noname 0.0282 712 H226 -0.3580 31.9081 -7.2170 H 1 noname 0.0282 713 H227 -2.0489 31.9081 -6.6612 H 1 noname 0.0282 714 H228 5.3731 26.6377 -5.7837 H 1 noname 0.1016 715 H229 4.0894 30.1202 -0.4732 H 1 noname 0.1400 716 H230 2.7998 32.2862 -1.8067 H 1 noname 0.1268 717 H231 1.4221 31.2081 -1.8067 H 1 noname 0.1268 718 H232 10.7531 27.7911 -7.8050 H 1 noname 0.0762 719 H233 15.0977 26.5895 -9.5020 H 1 noname 0.1418 720 H234 12.6846 29.3415 -6.0051 H 1 noname 0.0282 721 H235 13.4237 30.3214 -7.2942 H 1 noname 0.0282 722 H236 11.6679 30.0290 -7.2942 H 1 noname 0.0282 723 H237 11.7718 25.3595 -0.5549 H 1 noname 0.0759 724 H238 14.0023 25.4793 0.6225 H 1 noname 0.0666 725 H239 14.9037 25.9862 3.1756 H 1 noname 0.1257 726 H240 14.6626 27.7189 3.1756 H 1 noname 0.1257 727 H241 13.1356 28.1681 -4.2316 H 1 noname 0.1016 728 H242 19.5723 27.6051 -4.1218 H 1 noname 0.1400 729 H243 19.7246 27.0061 -1.2645 H 1 noname 0.1268 730 H244 19.7808 28.7545 -1.2645 H 1 noname 0.1268 731 H245 18.5513 35.3578 -4.5456 H 1 noname 0.0761 732 H246 22.3832 38.0759 -5.6328 H 1 noname 0.1258 733 H247 21.6460 39.6623 -5.6328 H 1 noname 0.1258 734 H248 21.1743 36.0642 -3.2745 H 1 noname 0.0281 735 H249 21.1482 34.9888 -4.6926 H 1 noname 0.0281 736 H250 22.1834 36.4368 -4.6926 H 1 noname 0.0281 737 H251 20.1413 31.7293 -11.9153 H 1 noname 0.0761 738 H252 23.0852 31.0090 -15.9269 H 1 noname 0.1258 739 H253 24.4313 31.0090 -14.8096 H 1 noname 0.1258 740 H254 21.4849 33.6040 -13.1690 H 1 noname 0.0281 741 H255 22.4223 33.1232 -14.6037 H 1 noname 0.0281 742 H256 20.6497 32.9618 -14.6037 H 1 noname 0.0281 743 H257 24.9510 34.6277 -6.0648 H 1 noname 0.0761 744 H258 28.7451 36.7849 -3.9405 H 1 noname 0.1258 745 H259 28.1119 38.4156 -3.9405 H 1 noname 0.1258 746 H260 26.6697 35.2502 -3.0520 H 1 noname 0.0281 747 H261 26.1723 33.9484 -4.1594 H 1 noname 0.0281 748 H262 27.8575 34.5215 -4.1594 H 1 noname 0.0281 749 H263 31.0975 33.2254 -9.0417 H 1 noname 0.0761 750 H264 36.5302 33.3203 -9.2864 H 1 noname 0.1258 751 H265 35.6079 34.8068 -9.2864 H 1 noname 0.1258 752 H266 33.0132 35.5298 -8.1273 H 1 noname 0.0281 753 H267 33.8977 35.6290 -9.6687 H 1 noname 0.0281 754 H268 32.1291 35.4283 -9.6687 H 1 noname 0.0281 755 H269 28.9652 34.3040 -1.5289 H 1 noname 0.1016 756 H270 30.1742 40.6058 -0.6801 H 1 noname 0.1400 757 H271 33.3523 39.8308 -1.9276 H 1 noname 0.1268 758 H272 32.1690 41.1193 -1.9276 H 1 noname 0.1268 759 H273 30.9723 31.8098 4.7870 H 1 noname 0.0762 760 H274 28.1609 30.2913 8.3837 H 1 noname 0.1418 761 H275 30.9012 33.9735 7.8332 H 1 noname 0.0282 762 H276 31.7375 33.6603 6.2935 H 1 noname 0.0282 763 H277 30.1276 34.4196 6.2935 H 1 noname 0.0282 764 H278 27.5032 35.4878 4.9488 H 1 noname 0.0759 765 H279 26.9970 34.7509 7.3041 H 1 noname 0.0666 766 H280 28.1712 36.2024 10.0541 H 1 noname 0.1257 767 H281 26.4473 36.2024 9.7566 H 1 noname 0.1257 768 H282 37.3380 35.0021 4.9819 H 1 noname 0.1016 769 H283 41.5663 32.1816 8.9848 H 1 noname 0.1400 770 H284 39.6023 29.3583 8.6240 H 1 noname 0.1268 771 H285 41.3063 29.7539 8.6240 H 1 noname 0.1268 772 H286 33.8525 33.2839 13.0996 H 1 noname 0.0762 773 H287 32.6680 35.8558 17.0028 H 1 noname 0.1418 774 H288 35.5542 32.3594 16.3603 H 1 noname 0.0282 775 H289 35.0104 31.6473 14.8223 H 1 noname 0.0282 776 H290 36.2472 32.9275 14.8223 H 1 noname 0.0282 777 H291 36.2386 32.9568 12.0923 H 1 noname 0.2105 @BOND 1 1 2 1 2 2 3 2 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 2 8 1 9 8 9 2 10 4 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 10 14 1 16 13 15 1 17 15 16 1 18 16 17 1 19 17 18 2 20 17 19 1 21 17 20 1 22 20 21 1 23 21 22 1 24 22 23 1 25 23 24 1 26 24 25 1 27 21 25 1 28 25 26 1 29 26 27 1 30 27 28 1 31 28 29 2 32 28 30 1 33 28 31 1 34 31 32 1 35 32 33 1 36 33 34 1 37 34 35 1 38 35 36 1 39 32 36 1 40 36 37 1 41 37 38 1 42 38 39 1 43 39 40 2 44 39 41 1 45 39 42 1 46 42 43 1 47 43 44 1 48 44 45 1 49 45 46 1 50 46 47 1 51 43 47 1 52 47 48 1 53 48 49 1 54 49 50 1 55 50 51 2 56 50 52 1 57 50 53 1 58 53 54 1 59 54 55 1 60 55 56 1 61 56 57 1 62 57 58 1 63 54 58 1 64 58 59 1 65 59 60 1 66 60 61 1 67 61 62 2 68 61 63 1 69 61 64 1 70 64 65 1 71 65 66 1 72 66 67 1 73 67 68 1 74 68 69 1 75 65 69 1 76 69 70 1 77 70 71 1 78 71 72 1 79 72 73 2 80 72 74 1 81 72 75 1 82 75 76 1 83 76 77 1 84 77 78 1 85 78 79 1 86 79 80 1 87 76 80 1 88 80 81 1 89 81 82 1 90 82 83 1 91 83 84 2 92 83 85 1 93 83 86 1 94 86 87 1 95 87 88 1 96 88 89 1 97 89 90 1 98 90 91 1 99 87 91 1 100 91 92 1 101 92 93 1 102 93 94 1 103 94 95 2 104 94 96 1 105 94 97 1 106 97 98 1 107 98 99 1 108 99 100 1 109 100 101 1 110 101 102 1 111 98 102 1 112 102 103 1 113 103 104 1 114 104 105 1 115 105 106 2 116 105 107 1 117 105 108 1 118 108 109 1 119 109 110 1 120 110 111 1 121 111 112 1 122 112 113 1 123 109 113 1 124 113 114 1 125 114 115 1 126 115 116 1 127 116 117 2 128 116 118 1 129 116 119 1 130 119 120 1 131 120 121 1 132 121 122 1 133 122 123 1 134 123 124 1 135 120 124 1 136 124 125 1 137 125 126 1 138 126 127 1 139 127 128 2 140 127 129 1 141 127 130 1 142 130 131 1 143 131 132 1 144 132 133 1 145 133 134 1 146 134 135 1 147 131 135 1 148 135 136 1 149 136 137 1 150 137 138 1 151 138 139 2 152 138 140 1 153 138 141 1 154 141 142 1 155 142 143 1 156 143 144 1 157 144 145 1 158 145 146 1 159 142 146 1 160 146 147 1 161 147 148 1 162 148 149 1 163 149 150 2 164 149 151 1 165 149 152 1 166 152 153 1 167 153 154 1 168 154 155 1 169 155 156 1 170 156 157 1 171 153 157 1 172 157 158 1 173 158 159 1 174 159 160 1 175 160 161 2 176 160 162 1 177 160 163 1 178 163 164 1 179 164 165 1 180 165 166 1 181 166 167 1 182 167 168 1 183 164 168 1 184 168 169 1 185 169 170 1 186 170 171 1 187 171 172 2 188 171 173 1 189 171 174 1 190 174 175 1 191 175 176 1 192 176 177 1 193 177 178 1 194 178 179 1 195 175 179 1 196 179 180 1 197 180 181 1 198 181 182 1 199 182 183 2 200 182 184 1 201 182 185 1 202 185 186 1 203 186 187 1 204 187 188 1 205 188 189 1 206 189 190 1 207 186 190 1 208 190 191 1 209 191 192 1 210 192 193 1 211 193 194 2 212 193 195 1 213 193 196 1 214 196 197 1 215 197 198 1 216 198 199 1 217 199 200 1 218 200 201 1 219 197 201 1 220 201 202 1 221 202 203 1 222 203 204 1 223 204 205 2 224 204 206 1 225 204 207 1 226 207 208 1 227 208 209 1 228 209 210 1 229 210 211 1 230 211 212 1 231 208 212 1 232 212 213 1 233 213 214 1 234 214 215 1 235 215 216 2 236 215 217 1 237 215 218 1 238 218 219 1 239 219 220 1 240 220 221 1 241 221 222 1 242 222 223 1 243 219 223 1 244 223 224 1 245 224 225 1 246 225 226 1 247 226 227 2 248 226 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