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-0.3861 20 O18 8.2209 18.0949 4.1242 O.2 1 noname -0.2882 21 O19 8.1919 10.9081 1.1098 O.3 1 noname -0.2823 22 O20 11.7541 14.6009 3.9745 O.2 1 noname -0.2883 23 O21 13.5263 13.2259 1.7723 O.2 1 noname -0.2887 24 O22 10.6951 16.2102 -2.2623 O.3 1 noname -0.2125 25 O23 11.1014 16.7323 -0.1692 O.2 1 noname -0.2478 26 O24 8.0994 19.6490 8.6689 O.2 1 noname -0.2882 27 O25 6.0075 20.6930 10.2299 O.2 1 noname -0.2896 28 O26 11.3441 24.4407 6.9743 O.3 1 noname -0.1948 29 O27 8.1546 24.6151 12.9953 O.2 1 noname -0.2886 30 O28 7.7863 24.7982 3.8454 O.3 1 noname -0.2759 31 O29 13.8853 24.7485 8.1528 O.3 1 noname -0.2751 32 N1 14.0543 21.7387 8.6219 N.3 1 noname -0.0727 33 N2 9.4095 16.2524 4.6899 N.3 1 noname -0.0621 34 N3 11.9418 13.8531 0.4529 N.3 1 noname -0.0620 35 N4 8.0578 19.2735 6.4432 N.3 1 noname -0.0621 36 N5 12.1017 16.1316 2.3425 N.3 1 noname -0.0630 37 N6 7.1688 22.1349 8.9222 N.3 1 noname -0.0634 38 N7 8.2443 23.4302 11.0525 N.3 1 noname -0.0648 39 N8 8.2059 26.4300 10.4581 N.3 1 noname -0.3057 40 C1 13.6612 20.9198 9.7497 C.3 1 noname 0.0940 41 C2 14.0974 21.5468 11.1385 C.3 1 noname 0.1037 42 C3 14.4511 20.5722 12.3218 C.3 1 noname 0.1176 43 C4 14.3104 19.5040 9.5783 C.3 1 noname 0.1829 44 C5 15.1417 19.2398 11.8779 C.3 1 noname 0.1743 45 C6 3.5676 12.9748 -1.8042 C.3 1 noname 0.1134 46 C7 3.6206 12.4183 -3.2857 C.3 1 noname 0.1112 47 C8 4.7500 12.5732 -0.8281 C.3 1 noname 0.1338 48 C9 5.1603 12.2303 -3.6154 C.3 1 noname 0.1124 49 C10 6.1291 12.9388 -1.4943 C.3 1 noname 0.1923 50 C11 14.4639 17.9611 12.2226 C.2 1 noname 0.1515 51 C12 13.4914 21.9040 7.3727 C.2 1 noname 0.0402 52 C13 5.4539 12.3449 -5.1083 C.3 1 noname 0.0722 53 C14 12.1582 21.4500 6.9050 C.3 1 noname 0.0212 54 C15 12.3439 18.1934 8.7948 C.2 1 noname 0.0667 55 C16 11.9008 21.5147 5.3583 C.3 1 noname -0.0450 56 C17 10.5241 20.9956 4.8903 C.3 1 noname -0.0528 57 C18 8.3725 12.2254 -1.5221 C.2 1 noname 0.0281 58 C19 10.3173 21.3873 3.4333 C.3 1 noname -0.0533 59 C20 12.3978 18.3874 7.3900 C.2 1 noname 0.0457 60 C21 11.1569 17.7204 9.3982 C.2 1 noname 0.0457 61 C22 9.2752 12.9842 -0.7107 C.2 1 noname -0.0075 62 C23 8.8424 21.3738 3.1056 C.3 1 noname -0.0533 63 C24 9.9865 17.8582 7.2101 C.2 1 noname -0.0316 64 C25 10.4724 13.4675 -1.3632 C.2 1 noname -0.0089 65 C26 8.6693 17.9296 6.4565 C.3 1 noname 0.1134 66 C27 11.2259 18.1697 6.6173 C.2 1 noname -0.0101 67 C28 10.0023 17.5411 8.5942 C.2 1 noname -0.0101 68 C29 8.6418 21.7680 1.6409 C.3 1 noname -0.0533 69 C30 8.9389 13.1993 0.6929 C.2 1 noname -0.0083 70 C31 11.5031 14.4084 -0.7888 C.3 1 noname 0.1263 71 C32 8.7262 11.7696 -2.8058 C.2 1 noname 0.0053 72 C33 9.8150 15.8703 3.3340 C.3 1 noname 0.1132 73 C34 7.1483 21.7543 1.3090 C.3 1 noname -0.0533 74 C35 13.2965 15.6127 1.6728 C.3 1 noname 0.1180 75 C36 9.1049 14.6694 2.7242 C.2 1 noname -0.0511 76 C37 10.7559 13.0534 -2.6912 C.2 1 noname -0.0248 77 C38 8.7783 17.4379 5.0381 C.2 1 noname 0.0527 78 C39 9.1405 14.4619 1.3234 C.2 1 noname -0.0253 79 C40 9.9145 12.1926 -3.3978 C.2 1 noname 0.0130 80 C41 14.7220 15.8796 2.3102 C.3 1 noname 0.1033 81 C42 6.9477 22.1485 -0.1556 C.3 1 noname -0.0533 82 C43 11.2936 15.5347 3.2799 C.2 1 noname 0.0523 83 C44 8.4209 12.1739 1.5360 C.2 1 noname 0.0136 84 C45 12.9691 14.2128 1.2632 C.2 1 noname 0.0521 85 C46 8.4955 13.6502 3.4858 C.2 1 noname -0.0388 86 C47 14.0716 18.2605 5.7901 C.2 1 noname 0.0347 87 C48 14.6663 16.7401 3.5152 C.2 1 noname -0.0386 88 C49 5.4541 22.1348 -0.4875 C.3 1 noname -0.0535 89 C50 8.1090 12.4361 2.8826 C.2 1 noname -0.0246 90 C51 11.0957 15.8245 -1.0257 C.2 1 noname 0.1464 91 C52 10.3412 18.3571 11.4110 C.2 1 noname 0.0043 92 C53 7.8486 20.1231 7.5416 C.2 1 noname 0.0527 93 C54 7.2503 21.5174 7.5969 C.3 1 noname 0.1148 94 C55 14.6877 17.0083 5.9518 C.2 1 noname 0.0252 95 C56 13.9951 18.8506 4.5168 C.2 1 noname -0.0106 96 C57 14.9467 16.2401 4.8105 C.2 1 noname -0.0057 97 C58 14.2779 18.0911 3.3790 C.2 1 noname -0.0358 98 C59 5.2535 22.5290 -1.9522 C.3 1 noname -0.0561 99 C60 7.2416 22.4355 11.3763 C.3 1 noname 0.0918 100 C61 7.6797 21.5343 12.5684 C.3 1 noname -0.0035 101 C62 9.0383 18.0667 11.8582 C.2 1 noname -0.0217 102 C63 10.8329 19.6579 11.6164 C.2 1 noname -0.0217 103 C64 8.6411 20.4411 12.3107 C.2 1 noname -0.0596 104 C65 8.0046 22.5972 6.8319 C.2 1 noname 0.0083 105 C66 6.7833 21.6751 10.1531 C.2 1 noname 0.0506 106 C67 8.2013 19.0948 12.3343 C.2 1 noname -0.0450 107 C68 9.9960 20.7075 12.0201 C.2 1 noname -0.0450 108 C69 3.7600 22.5154 -2.2840 C.3 1 noname -0.0654 109 C70 9.3062 22.9934 7.2653 C.2 1 noname -0.0144 110 C71 7.4547 23.2983 5.7149 C.2 1 noname 0.0169 111 C72 8.5532 24.5332 11.8104 C.2 1 noname 0.0515 112 C73 9.2336 25.7309 11.2516 C.3 1 noname 0.1068 113 C74 10.0852 23.9698 6.5847 C.2 1 noname 0.0176 114 C75 8.2602 24.1838 4.9630 C.2 1 noname 0.0427 115 C76 9.5608 24.4880 5.3905 C.2 1 noname 0.0143 116 C77 10.4699 25.4377 10.4675 C.2 1 noname -0.0453 117 C78 11.4802 24.8538 8.2886 C.2 1 noname 0.0306 118 C79 10.3804 25.2605 9.0742 C.2 1 noname -0.0045 119 C80 11.7460 25.3094 11.0642 C.2 1 noname -0.0477 120 C81 12.7577 24.8816 8.8861 C.2 1 noname 0.0317 121 C82 12.8881 25.0815 10.2722 C.2 1 noname -0.0191 122 C83 8.7849 27.6331 9.8626 C.3 1 noname -0.0153 123 H1 12.5801 20.8650 9.6876 H 1 noname 0.0550 124 H2 14.9908 22.1444 10.9557 H 1 noname 0.0647 125 H3 13.5573 20.3587 12.9063 H 1 noname 0.0661 126 H4 14.8553 19.4634 8.6461 H 1 noname 0.0945 127 H5 16.1224 19.1693 12.3709 H 1 noname 0.0743 128 H6 14.8970 22.1989 8.7591 H 1 noname 0.1316 129 H7 2.6358 12.6938 -1.3292 H 1 noname 0.0658 130 H8 3.1143 13.1366 -3.9440 H 1 noname 0.0657 131 H9 4.6933 11.4804 -0.6778 H 1 noname 0.0682 132 H10 5.4184 11.2021 -3.3729 H 1 noname 0.0657 133 H11 6.4755 13.8956 -1.0666 H 1 noname 0.0956 134 H12 13.3887 22.8168 12.4775 H 1 noname 0.2106 135 H13 14.8448 22.0458 13.5878 H 1 noname 0.2107 136 H14 4.7792 11.6922 -5.6624 H 1 noname 0.0591 137 H15 6.4851 12.0482 -5.2996 H 1 noname 0.0591 138 H16 11.3807 22.0084 7.4264 H 1 noname 0.0361 139 H17 11.9806 20.4402 7.2748 H 1 noname 0.0361 140 H18 12.0413 22.5377 5.0091 H 1 noname 0.0271 141 H19 12.6710 20.9372 4.8470 H 1 noname 0.0271 142 H20 9.7402 21.4429 5.5015 H 1 noname 0.0267 143 H21 10.4360 19.9182 5.0297 H 1 noname 0.0267 144 H22 2.7581 14.6864 -2.3612 H 1 noname 0.2106 145 H23 2.9643 10.8228 -4.2723 H 1 noname 0.2106 146 H24 3.8096 12.9237 0.8913 H 1 noname 0.2108 147 H25 10.7177 22.3871 3.2654 H 1 noname 0.0266 148 H26 10.8748 20.7300 2.7660 H 1 noname 0.0266 149 H27 8.3211 22.0838 3.7476 H 1 noname 0.0266 150 H28 8.4427 20.3732 3.2706 H 1 noname 0.0266 151 H29 14.5666 15.9453 11.9625 H 1 noname 0.2214 152 H30 7.9817 17.2511 6.9677 H 1 noname 0.0618 153 H31 11.2784 18.2887 5.6064 H 1 noname 0.0654 154 H32 9.1404 17.2092 9.0451 H 1 noname 0.0654 155 H33 9.0415 22.7685 1.4759 H 1 noname 0.0266 156 H34 9.1631 21.0580 0.9989 H 1 noname 0.0266 157 H35 5.4511 13.7619 -6.4854 H 1 noname 0.2101 158 H36 12.4303 14.3449 -1.3629 H 1 noname 0.0630 159 H37 8.1019 11.1538 -3.3396 H 1 noname 0.0677 160 H38 9.6371 16.7383 2.6938 H 1 noname 0.0618 161 H39 6.6269 22.4643 1.9511 H 1 noname 0.0266 162 H40 6.7486 20.7538 1.4741 H 1 noname 0.0266 163 H41 13.3354 16.1845 0.7502 H 1 noname 0.0597 164 H42 11.5979 13.3739 -3.1720 H 1 noname 0.0653 165 H43 9.3681 15.2657 0.7544 H 1 noname 0.0633 166 H44 15.3457 16.4005 1.5799 H 1 noname 0.0673 167 H45 9.6709 15.6289 5.4211 H 1 noname 0.1322 168 H46 7.3474 23.1490 -0.3207 H 1 noname 0.0266 169 H47 7.4690 21.4385 -0.7977 H 1 noname 0.0266 170 H48 11.5326 13.0084 0.6905 H 1 noname 0.1322 171 H49 7.7774 19.5961 5.5621 H 1 noname 0.1322 172 H50 11.7194 16.9404 1.9782 H 1 noname 0.1320 173 H51 8.3599 13.7524 4.4912 H 1 noname 0.0627 174 H52 4.9328 22.8448 0.1546 H 1 noname 0.0266 175 H53 5.0544 21.1343 -0.3225 H 1 noname 0.0266 176 H54 7.6262 11.7278 3.4400 H 1 noname 0.0650 177 H55 6.2201 21.3965 7.2492 H 1 noname 0.0619 178 H56 13.7186 19.8197 4.4019 H 1 noname 0.0650 179 H57 15.3231 15.3044 4.9381 H 1 noname 0.0643 180 H58 14.1638 18.5196 2.4585 H 1 noname 0.0627 181 H59 5.6533 23.5296 -2.1172 H 1 noname 0.0264 182 H60 5.7749 21.8190 -2.5942 H 1 noname 0.0264 183 H61 6.3819 22.9945 11.7598 H 1 noname 0.0569 184 H62 6.7960 21.1317 13.0635 H 1 noname 0.0337 185 H63 8.1600 22.2407 13.2455 H 1 noname 0.0337 186 H64 9.5226 11.2318 -5.0092 H 1 noname 0.2181 187 H65 8.6955 17.1054 11.8178 H 1 noname 0.0650 188 H66 11.8093 19.8329 11.4441 H 1 noname 0.0650 189 H67 7.4624 23.0569 8.9525 H 1 noname 0.1322 190 H68 16.3457 14.9458 2.9548 H 1 noname 0.2110 191 H69 7.8375 10.3730 1.8504 H 1 noname 0.2182 192 H70 7.2625 18.8471 12.6584 H 1 noname 0.0626 193 H71 10.3797 21.6546 12.0766 H 1 noname 0.0626 194 H72 3.6171 22.7962 -3.3275 H 1 noname 0.0230 195 H73 3.2387 23.2254 -1.6420 H 1 noname 0.0230 196 H74 3.3603 21.5148 -2.1190 H 1 noname 0.0230 197 H75 10.4111 17.1371 -2.4275 H 1 noname 0.2213 198 H76 8.6966 23.3480 10.1999 H 1 noname 0.1319 199 H77 9.7083 22.5662 8.1065 H 1 noname 0.0654 200 H78 9.4875 26.4399 12.0494 H 1 noname 0.0614 201 H79 10.1296 25.1048 4.8293 H 1 noname 0.0678 202 H80 7.4264 26.6916 11.0651 H 1 noname 0.1229 203 H81 9.4836 25.4026 8.6157 H 1 noname 0.0654 204 H82 11.8561 25.3927 12.0784 H 1 noname 0.0627 205 H83 8.4860 25.3691 3.4648 H 1 noname 0.2182 206 H84 13.8141 25.0514 10.7070 H 1 noname 0.0651 207 H85 8.0252 28.1499 9.2761 H 1 noname 0.0391 208 H86 9.1449 28.2924 10.6524 H 1 noname 0.0391 209 H87 9.6162 27.3541 9.2152 H 1 noname 0.0391 210 H88 14.6661 24.7936 8.7432 H 1 noname 0.2183 @BOND 1 1 94 1 2 2 110 1 3 3 43 1 4 3 44 1 5 43 4 1 6 4 54 1 7 41 5 1 8 5 134 1 9 6 48 1 10 6 49 1 11 42 7 1 12 7 135 1 13 49 8 1 14 8 57 1 15 45 9 1 16 9 144 1 17 46 10 1 18 10 145 1 19 47 11 1 20 11 146 1 21 12 50 1 22 12 151 1 23 13 50 2 24 14 52 1 25 14 157 1 26 15 51 2 27 16 59 1 28 16 86 1 29 17 60 1 30 17 91 1 31 18 79 1 32 18 186 1 33 80 19 1 34 19 190 1 35 20 77 2 36 21 83 1 37 21 191 1 38 22 82 2 39 23 84 2 40 24 90 1 41 24 197 1 42 25 90 2 43 26 92 2 44 27 105 2 45 28 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