___ ___ ___ _ _ _ | | |_ | | | | | | | | | . | | | | |__ | _|___|_____| 0.11.0.12093M |___|_| User: askhl@g076.dcsc.fysik.dtu.dk Date: Wed Nov 12 23:27:12 2014 Arch: x86_64 Pid: 44840 gpaw: /home/niflheim/askhl/src/gpaw/gpaw _gpaw: /home/niflheim/askhl/src/gpaw/build/bin.linux-x86_64-sl230s-2.6/gpaw-python ase: /home/niflheim/askhl/src/ase/ase (version 3.9.0) numpy: /home/opt/el6/sl230s/numpy-1.7.1-sl230s-gfortran-internal-1/lib64/python2.6/site-packages/numpy (version 1.7.1) scipy: /home/opt/el6/sl230s/scipy-0.12.0-sl230s-gfortran-netlib-1/lib64/python2.6/site-packages/scipy (version 0.12.0) units: Angstrom and eV cores: 32 Extra parameters: {'fprojectors': True} Memory estimate --------------- Process memory now: 89.64 MiB Calculator 1161.34 MiB Density 540.67 MiB Arrays 291.75 MiB Localized functions 93.84 MiB Mixer 155.08 MiB Hamiltonian 416.29 MiB Arrays 190.81 MiB XC 0.00 MiB Poisson 218.24 MiB vbar 7.24 MiB Wavefunctions 204.38 MiB C [qnM] 100.03 MiB S, T [2 x qmm] 30.91 MiB P [aqMi] 9.48 MiB TCI 0.00 MiB BasisFunctions 63.97 MiB Eigensolver 0.00 MiB Positions: 0 Au 31.1560 28.4002 29.2811 1 Au 28.3203 31.0004 26.7170 2 Au 28.2573 29.0651 24.5736 3 Au 31.2733 26.2954 27.1967 4 Au 29.2528 26.0333 29.3325 5 Au 33.8019 27.4677 28.4372 6 Au 33.2815 28.2174 31.3850 7 Au 32.1278 25.7225 30.0087 8 Au 26.0166 31.2069 24.6630 9 Au 25.5505 28.3864 23.8273 10 Au 29.2797 28.4089 22.1112 11 Au 32.7788 25.3678 24.7745 12 Au 30.5421 23.6386 28.4716 13 Au 27.2591 30.4838 22.1536 14 Au 27.1540 24.9102 30.8233 15 Au 33.3857 24.6290 27.7570 16 Au 35.2655 26.4270 26.2315 17 Au 35.0224 26.0005 30.5357 18 Au 30.0863 24.5035 31.6520 19 Au 32.1407 22.2903 26.0603 20 Au 22.6189 27.3936 25.0788 21 Au 28.3800 22.1099 30.1906 22 Au 36.7223 24.7756 28.3230 23 Au 35.1164 25.7534 23.0171 24 Au 30.9395 31.8050 25.9940 25 Au 28.4047 28.9212 28.6720 26 Au 26.1463 28.8403 26.7137 27 Au 28.8638 31.9864 23.9948 28 Au 31.0125 29.7902 23.9451 29 Au 30.1784 34.3772 25.2377 30 Au 33.0379 33.9300 25.8256 31 Au 31.7212 32.6464 23.3597 32 Au 26.3330 26.7576 28.7550 33 Au 25.4390 26.2566 25.9966 34 Au 23.6259 30.0911 26.0058 35 Au 26.6466 33.6975 23.1041 36 Au 30.1375 31.1131 21.4256 37 Au 23.7322 28.1187 28.2565 38 Au 32.6245 27.7521 22.6328 39 Au 29.3837 34.1025 22.3457 40 Au 28.1625 35.8933 24.1746 41 Au 32.1733 35.6320 23.8061 42 Au 33.3965 30.5693 22.3286 43 Au 27.6249 32.7189 20.1317 44 Au 26.6871 23.3713 24.8970 45 Au 31.8172 28.9830 20.0026 46 Au 30.0875 37.2567 22.2417 47 Au 24.9124 35.8538 23.6276 48 Au 27.7884 31.6425 29.3795 49 Au 30.2462 29.0481 26.6286 50 Au 28.3528 26.8359 26.5809 51 Au 25.6592 29.5451 29.5935 52 Au 25.6323 31.8285 27.5381 53 Au 27.0308 30.5745 32.1649 54 Au 27.5553 33.6115 31.5900 55 Au 25.1451 32.3748 30.6077 56 Au 30.4216 26.8933 24.3801 57 Au 27.5956 26.2089 23.9544 58 Au 27.6514 24.3622 27.8086 59 Au 24.9249 27.2074 31.4323 60 Au 23.1804 30.9495 28.7692 61 Au 29.8608 24.4116 25.7534 62 Au 24.2767 33.3172 25.5846 63 Au 23.9796 29.9850 31.9660 64 Au 25.9608 28.4514 33.7033 65 Au 25.4510 32.4853 33.4251 66 Au 23.8444 33.9926 28.5385 67 Au 21.8866 28.4646 30.5697 68 Au 26.3024 27.4715 21.1446 69 Au 21.5518 32.5640 26.9089 70 Au 24.1766 30.4989 35.2592 71 Au 25.3729 25.2350 33.6600 72 Au 29.3303 33.3643 27.8126 73 Au 32.1913 30.9221 30.3184 74 Au 32.2091 32.7147 32.5878 75 Au 29.2754 35.5236 29.7639 76 Au 31.2888 35.6420 27.5898 77 Au 26.7231 34.2990 28.7083 78 Au 27.3480 33.7338 25.7345 79 Au 28.4471 36.0818 27.0568 80 Au 34.3792 30.8087 32.5323 81 Au 35.0162 33.5636 33.0126 82 Au 30.8083 33.5757 35.1896 83 Au 27.6778 36.5335 31.9462 84 Au 30.0255 38.0520 28.5316 85 Au 33.0265 31.5943 34.9714 86 Au 33.6632 36.7608 26.1592 87 Au 26.7199 36.9472 29.0639 88 Au 25.1456 35.1491 31.0922 89 Au 25.4659 35.8072 26.6262 90 Au 30.7045 37.3158 25.6039 91 Au 28.2443 39.3542 30.9499 92 Au 37.6501 34.5725 31.9275 93 Au 32.2029 39.6439 26.9352 94 Au 23.7012 37.1518 29.0082 95 Au 25.0766 35.8019 34.0342 96 Au 29.5745 29.9700 30.9991 97 Au 32.0800 32.8119 28.4783 98 Au 34.2702 32.8801 30.4611 99 Au 31.5746 29.9479 33.1642 100 Au 29.3841 31.9092 33.2697 101 Au 30.5468 27.3196 31.9044 102 Au 27.6865 27.7973 31.3243 103 Au 28.8283 28.9242 33.8592 104 Au 34.2237 34.9999 28.4240 105 Au 34.6484 35.8441 31.1043 106 Au 36.9115 31.4937 31.0956 107 Au 33.8625 28.4902 34.3228 108 Au 30.2672 30.4563 35.7369 109 Au 36.7630 33.7454 29.1720 110 Au 27.7529 34.0716 34.3178 111 Au 31.1060 27.4493 34.6110 112 Au 32.9897 25.9184 32.8473 113 Au 28.2197 26.0749 33.4242 114 Au 27.4551 31.1655 35.0682 115 Au 32.6543 28.9363 37.0335 116 Au 33.5938 38.4172 32.1437 117 Au 28.8082 33.0618 37.2174 118 Au 30.7284 24.1977 34.6124 119 Au 35.9589 26.0933 33.6261 120 Au 32.7389 30.2111 27.6938 121 Au 30.1518 32.7797 30.4789 122 Au 32.0547 35.0036 30.5034 123 Au 34.8136 32.1402 27.6258 124 Au 35.0212 30.1033 29.7433 125 Au 33.6036 31.0898 25.0987 126 Au 33.0342 28.0832 25.4945 127 Au 35.4135 29.2822 26.7166 128 Au 29.9180 34.8585 32.6270 129 Au 32.8140 35.4904 33.3736 130 Au 32.8037 37.5405 28.9606 131 Au 36.0113 34.3816 26.1016 132 Au 37.3427 31.0042 28.2162 133 Au 30.9088 37.3237 31.3129 134 Au 36.1409 28.5309 31.8741 135 Au 36.4574 31.5573 25.1132 136 Au 34.5424 33.5333 23.5662 137 Au 35.0711 28.6507 23.9676 138 Au 36.7355 27.9811 29.0851 139 Au 38.8383 33.2802 26.7275 140 Au 34.0217 34.4931 36.0007 141 Au 39.1529 29.4354 30.6877 142 Au 36.4569 31.1659 22.1815 143 Au 35.3562 36.3626 23.4371 144 S 32.6770 23.0848 23.9516 145 S 31.6332 21.6380 28.0944 146 S 23.1128 28.2992 23.0698 147 S 22.1332 26.3687 27.2119 148 S 30.2114 22.0265 31.5892 149 S 25.4523 33.2309 20.8677 150 S 29.8203 32.3843 19.3308 151 S 24.6060 24.1866 25.1264 152 S 28.8660 22.3903 24.6208 153 S 30.1826 27.3185 20.1203 154 S 33.2009 30.8307 19.8736 155 S 23.1737 34.3178 23.6915 156 S 26.4152 37.6218 23.5732 157 S 22.5185 26.1570 30.9850 158 S 21.1737 30.5694 30.1342 159 S 27.2290 25.5567 21.7070 160 S 21.3442 33.9739 28.4437 161 S 25.2281 23.6992 31.7722 162 S 25.3959 26.7379 35.4743 163 S 33.4501 25.7536 21.4537 164 S 36.8785 25.6961 24.5960 165 S 35.2287 22.9549 27.8546 166 S 38.3645 26.2262 28.7748 167 S 38.5264 28.8104 32.8290 168 S 39.6164 29.8343 28.3693 169 S 30.1659 35.6585 20.5666 170 S 29.9850 39.0198 23.8270 171 S 34.0193 39.0313 25.6198 172 S 30.4282 40.3123 28.1967 173 S 34.4245 39.0831 30.0666 174 S 32.8539 37.7768 34.2005 175 S 36.8660 36.5927 31.0780 176 S 38.3122 32.4946 32.8565 177 S 38.6711 34.8843 28.2977 178 S 38.8576 31.6268 24.9729 179 S 35.6565 33.2360 21.3436 180 S 37.3638 29.0055 22.8742 181 S 33.6653 36.9862 22.2514 182 S 37.3725 35.7212 24.7331 183 S 35.9682 33.6772 35.2608 184 S 31.8908 35.0946 36.8395 185 S 33.6562 31.0676 37.3099 186 S 31.7011 26.8627 36.9580 187 S 35.9659 27.7476 35.3290 188 S 36.1568 24.3788 31.9398 189 S 32.8189 23.6041 33.8292 190 S 25.8742 30.4126 36.8080 191 S 26.7068 37.6073 33.8327 192 S 23.6453 34.1014 34.0442 193 S 29.9511 39.3147 32.5633 194 S 26.6617 39.6735 29.2586 195 S 23.4612 36.9515 31.1734 196 S 23.7641 37.4570 26.5871 197 S 27.3197 34.8220 36.6537 198 S 30.1263 31.2397 37.9858 199 S 26.5742 22.2000 28.6736 200 S 25.5502 29.5801 20.6227 201 S 21.7427 31.1420 24.9563 202 S 28.6041 24.7821 35.3846 203 S 22.5006 30.7213 33.6421 204 N 41.5872 17.2093 12.7107 205 C 34.3119 22.2802 23.5318 206 C 34.4519 22.0303 21.9578 207 C 35.7652 21.4275 21.6897 208 C 35.9669 21.0853 20.0683 209 C 37.1593 20.3750 19.7804 210 C 37.2334 20.2664 18.2079 211 C 38.5650 19.3878 17.7316 212 C 38.7365 19.1730 16.2492 213 C 39.9687 18.5355 15.9903 214 C 40.0872 18.1159 14.4071 215 C 41.4687 17.5449 14.0378 216 H 41.2935 18.0924 12.0372 217 H 41.0087 16.4231 12.3257 218 H 35.2282 22.9597 23.8359 219 H 34.3888 21.3399 24.0457 220 H 34.3118 22.9485 21.4521 221 H 33.5523 21.3604 21.6692 222 H 35.7984 20.4380 22.0135 223 H 36.6456 22.0002 21.8852 224 H 34.9952 20.5276 19.6763 225 H 35.8167 22.0319 19.6896 226 H 38.0886 20.9814 20.1578 227 H 37.1223 19.3557 20.2411 228 H 36.3713 19.6919 17.8114 229 H 37.2938 21.2175 17.7514 230 H 39.4521 20.0697 18.0955 231 H 38.6578 18.5062 18.3416 232 H 38.5640 20.0495 15.8026 233 H 37.8620 18.4759 16.0554 234 H 40.8120 19.1866 16.0780 235 H 40.2502 17.5821 16.5983 236 H 39.7490 19.1582 13.8153 237 H 39.3359 17.3990 14.2067 238 H 41.7658 16.8496 14.6324 239 H 42.2582 18.4348 14.1774 240 H 42.5768 16.9022 12.2702 241 N 28.7338 6.8069 31.7922 242 C 30.4705 20.1830 27.8950 243 C 30.8735 18.9709 28.6964 244 C 30.0352 17.6566 28.5859 245 C 30.4537 16.5567 29.4365 246 C 29.6671 15.3456 29.0558 247 C 29.9203 14.0846 30.0355 248 C 29.1794 12.8204 29.8005 249 C 29.5750 11.6171 30.5355 250 C 28.6397 10.3723 30.4193 251 C 29.2555 9.1521 31.3359 252 C 28.2243 8.0673 31.0844 253 H 28.9828 6.9467 32.8170 254 H 29.6695 6.3959 31.3652 255 H 29.4264 20.4862 28.3122 256 H 30.4215 20.0026 26.8869 257 H 30.8960 19.2641 29.8638 258 H 31.9838 18.6235 28.4447 259 H 30.0169 17.4521 27.4983 260 H 28.9764 17.9439 28.7818 261 H 31.5224 16.3353 29.2448 262 H 30.4187 16.8460 30.4516 263 H 28.4346 15.5571 29.3241 264 H 29.6790 14.9345 28.0321 265 H 31.1075 13.8869 29.9086 266 H 29.8953 14.4147 31.1416 267 H 28.0674 13.0759 29.9955 268 H 29.1641 12.5854 28.7277 269 H 29.6635 11.9890 31.6278 270 H 30.6256 11.3442 30.3668 271 H 27.6935 10.7596 30.7741 272 H 28.5647 10.2434 29.4025 273 H 29.4554 9.4177 32.3321 274 H 30.2806 8.8644 30.7482 275 H 28.0482 7.8566 30.0620 276 H 27.2358 8.3011 31.5630 277 H 27.9044 6.0000 31.7594 278 N 15.4845 15.0723 21.0409 279 C 22.8592 26.9822 21.8598 280 C 21.8864 26.0003 22.4059 281 C 21.6469 24.7692 21.5840 282 C 20.5909 23.9321 22.0967 283 C 20.3169 22.5348 21.2444 284 C 19.2309 21.7010 21.9032 285 C 19.0045 20.3456 21.0141 286 C 17.9950 19.4454 21.6071 287 C 17.6142 18.3161 20.7672 288 C 16.7251 17.1939 21.3423 289 C 16.3864 16.1530 20.4431 290 H 14.6033 15.4426 21.3084 291 H 15.9574 14.5235 21.8090 292 H 22.5121 27.3624 20.9219 293 H 23.9198 26.5410 21.6518 294 H 20.9174 26.5543 22.6829 295 H 22.3384 25.6473 23.4291 296 H 22.6023 24.2666 21.4401 297 H 21.3316 25.1632 20.6198 298 H 20.9476 23.5315 23.1374 299 H 19.6302 24.4140 22.2102 300 H 20.0895 22.8527 20.2469 301 H 21.3555 22.0150 21.1814 302 H 19.4655 21.3872 22.8963 303 H 18.4227 22.1874 21.9274 304 H 18.7087 20.7626 19.9756 305 H 20.0098 19.8945 20.8555 306 H 17.0686 19.9632 21.8988 307 H 18.3645 19.0386 22.5215 308 H 17.2908 18.5483 19.7214 309 H 18.6432 17.8145 20.3659 310 H 15.8169 17.8076 21.6256 311 H 17.1367 16.7896 22.1840 312 H 17.1989 15.6253 19.9638 313 H 15.7728 16.4608 19.5373 314 H 15.2065 14.3537 20.3301 315 N 8.2284 19.6808 28.4308 316 C 20.3725 26.8294 27.5619 317 C 19.6297 25.4348 27.6116 318 C 18.1077 25.7341 27.7874 319 C 17.3709 24.3832 27.7989 320 C 15.8705 24.5826 27.9549 321 C 15.1259 23.1794 28.0602 322 C 13.5439 23.4252 28.1392 323 C 12.7451 22.0171 28.0541 324 C 11.3676 22.1264 28.3687 325 C 10.4542 20.8247 28.1165 326 C 9.0150 21.0578 28.6893 327 H 8.7235 18.8996 28.9943 328 H 8.2056 19.4314 27.5216 329 H 20.3290 27.2762 28.5663 330 H 19.9857 27.4077 26.8058 331 H 19.9911 24.7650 28.2884 332 H 19.8675 25.0387 26.5357 333 H 17.7258 26.4081 27.0333 334 H 17.9495 26.1706 28.7636 335 H 17.5729 23.8561 26.8677 336 H 17.7930 23.6866 28.6519 337 H 15.6402 25.1899 28.8347 338 H 15.5301 25.1403 27.0828 339 H 15.2894 22.5963 27.0894 340 H 15.5084 22.5471 28.8223 341 H 13.4653 23.9330 29.1181 342 H 13.1982 24.0084 27.3777 343 H 13.2109 21.2853 28.7223 344 H 12.9671 21.5882 27.0654 345 H 11.2808 22.4859 29.3449 346 H 10.8992 22.9742 27.8066 347 H 10.9914 20.1123 28.8506 348 H 10.5949 20.5454 27.2248 349 H 8.5095 21.8690 28.1260 350 H 8.9736 21.3006 29.7386 351 H 7.3115 19.8582 28.7965 352 N 21.9902 10.0083 36.5509 353 C 29.7383 21.1607 32.9530 354 C 29.0147 19.8058 32.6596 355 C 28.3206 19.0699 33.9294 356 C 27.5846 17.8968 33.4585 357 C 26.9912 17.1428 34.5693 358 C 26.2841 15.8403 34.1364 359 C 25.5555 15.2003 35.4209 360 C 24.7448 13.8867 34.9361 361 C 24.3388 13.1076 36.1542 362 C 23.3871 11.9365 35.6911 363 C 22.9119 11.0777 36.8992 364 H 22.4584 9.3289 35.8258 365 H 21.0633 10.3145 36.0615 366 H 30.6697 20.8449 33.7556 367 H 28.9826 21.9102 33.6773 368 H 29.6580 19.1665 32.1190 369 H 28.0857 20.1713 32.1007 370 H 27.6988 19.8157 34.4851 371 H 29.2164 18.8644 34.5823 372 H 26.9438 18.1517 32.7421 373 H 28.3427 17.2509 32.9839 374 H 27.7762 16.8320 35.4609 375 H 26.2030 17.8302 35.1103 376 H 25.4651 16.1355 33.4741 377 H 26.9668 15.2689 33.7301 378 H 26.3440 14.8618 36.1572 379 H 24.8585 15.8528 35.9638 380 H 25.3659 13.3205 34.3022 381 H 23.9217 14.2245 34.3240 382 H 25.0354 12.6309 36.7963 383 H 23.6310 13.7008 36.7084 384 H 23.8306 11.2237 35.0535 385 H 22.4904 12.2797 35.3048 386 H 22.4357 11.6584 37.5312 387 H 23.9047 10.5387 37.2984 388 H 21.8344 9.4609 37.4298 389 N 15.2136 39.4572 11.2802 390 C 25.0232 34.8591 20.1781 391 C 23.7456 34.5417 19.3071 392 C 23.1897 35.8175 18.5190 393 C 21.9568 35.5811 17.8142 394 C 21.6002 36.7060 16.8863 395 C 20.3168 36.4841 16.1353 396 C 19.8396 37.6871 15.3273 397 C 18.5162 37.4283 14.4728 398 C 17.9668 38.7273 13.7528 399 C 16.9054 38.4169 12.8775 400 C 16.3168 39.6649 12.2210 401 H 14.4331 38.8773 11.6875 402 H 15.4889 38.8708 10.3146 403 H 24.8509 35.5295 20.9156 404 H 25.7715 35.2668 19.5317 405 H 22.9972 34.1682 19.9781 406 H 23.9286 33.8815 18.5395 407 H 24.0974 36.2112 17.9249 408 H 23.0788 36.6341 19.2897 409 H 22.1794 34.7706 17.1697 410 H 21.1688 35.1837 18.4138 411 H 21.5371 37.6050 17.6961 412 H 22.4431 37.0542 16.2675 413 H 20.4988 35.6439 15.4703 414 H 19.4363 36.1933 16.8145 415 H 19.5389 38.5838 15.9619 416 H 20.6538 37.9915 14.6897 417 H 17.8233 36.9223 15.0988 418 H 18.8950 36.6287 13.7879 419 H 17.7519 39.4066 14.5118 420 H 18.8893 39.1899 13.2107 421 H 16.0357 37.8763 13.2812 422 H 17.2079 37.6889 11.9649 423 H 17.1327 40.3076 11.6891 424 H 15.8337 40.3233 13.0525 425 H 14.7702 40.4517 10.9203 426 N 20.0999 27.6686 8.3477 427 C 29.6951 31.2710 17.9735 428 C 28.2886 31.3715 17.2063 429 C 28.0940 30.4326 16.0215 430 C 26.7276 30.8379 15.4706 431 C 26.4442 29.7383 14.3339 432 C 25.1020 29.9799 13.6770 433 C 24.7501 28.9771 12.5894 434 C 23.3391 29.1689 11.9532 435 C 23.0509 28.3198 10.7076 436 C 21.7257 28.4678 10.1567 437 C 21.5405 27.6941 8.9153 438 H 19.7905 28.6134 8.1052 439 H 19.3826 27.2074 8.9929 440 H 30.4980 31.4758 17.1891 441 H 29.8395 30.2012 18.1749 442 H 28.1847 32.4756 16.8946 443 H 27.5809 31.3699 18.1301 444 H 28.1263 29.5179 16.4909 445 H 28.8499 30.5746 15.3588 446 H 25.8963 30.6497 16.2464 447 H 26.6594 31.7689 15.1438 448 H 27.2562 29.7069 13.4564 449 H 26.4657 28.6343 14.7244 450 H 24.1967 29.8702 14.4526 451 H 25.0838 30.9947 13.1317 452 H 25.4738 29.1179 11.6748 453 H 24.8241 27.9772 12.9544 454 H 23.2236 30.2161 11.6951 455 H 22.5707 29.0060 12.6475 456 H 23.8021 28.5295 9.9088 457 H 23.3776 27.1957 10.8933 458 H 21.5132 29.4915 9.9140 459 H 20.9986 28.0811 11.0108 460 H 21.7497 26.5350 9.1612 461 H 22.1194 28.0278 8.0954 462 H 20.0867 27.2472 7.4224 463 N 21.2869 9.8967 29.8118 464 C 23.8576 23.2907 26.4914 465 C 23.8992 21.7320 26.1394 466 C 23.3102 20.8741 27.1992 467 C 23.4423 19.4765 26.9905 468 C 22.7810 18.4691 27.9018 469 C 23.0113 17.0036 27.6736 470 C 22.3090 16.1286 28.7134 471 C 22.4722 14.5827 28.4001 472 C 21.8002 13.7148 29.5171 473 C 21.8543 12.2457 29.1089 474 C 21.3363 11.3008 30.1531 475 H 22.1715 9.6412 29.4626 476 H 20.6029 9.6590 29.1058 477 H 24.3225 23.5656 27.4179 478 H 22.6888 23.5721 26.6070 479 H 25.0383 21.5661 26.1177 480 H 23.4566 21.6547 25.2172 481 H 22.1103 21.1681 27.3019 482 H 23.6638 21.1656 28.3009 483 H 23.0177 19.2156 26.0318 484 H 24.5042 19.3034 26.9389 485 H 23.0172 18.7799 29.0053 486 H 21.7132 18.7637 27.9836 487 H 22.5122 16.7828 26.6237 488 H 23.9899 16.8282 27.7606 489 H 22.6782 16.2240 29.7206 490 H 21.2324 16.3399 28.7456 491 H 23.4262 14.3196 28.2160 492 H 21.8416 14.4362 27.3531 493 H 22.3445 13.8915 30.3566 494 H 20.8434 13.9774 29.6764 495 H 22.8992 11.8541 28.6789 496 H 21.1184 12.1133 28.1415 497 H 20.4611 11.5700 30.5314 498 H 22.0975 11.5250 31.1790 499 H 21.1253 9.3374 30.7144 500 N 30.2490 13.5410 12.0693 501 C 29.2324 22.5271 22.8352 502 C 29.1116 21.1740 22.3017 503 C 29.5254 20.9792 20.8083 504 C 29.2233 19.5413 20.2366 505 C 29.6790 19.5828 18.8108 506 C 29.4008 18.2036 18.2637 507 C 29.9182 17.9577 16.6975 508 C 29.7289 16.6049 16.2883 509 C 30.1221 16.4277 14.6419 510 C 30.0078 14.9259 14.1866 511 C 30.1906 14.9536 12.5824 512 H 29.3516 13.0230 12.3015 513 H 30.8940 13.0166 12.5564 514 H 28.6382 23.2091 22.3108 515 H 30.2902 22.8375 22.7417 516 H 28.0734 20.8503 22.4322 517 H 29.6970 20.3874 22.8380 518 H 30.4925 21.3651 20.7324 519 H 28.8070 21.8331 20.2261 520 H 29.8268 18.8711 20.7289 521 H 28.2420 19.3810 20.3256 522 H 29.1442 20.2788 18.0930 523 H 30.7294 19.8058 18.6257 524 H 30.0016 17.3002 18.8464 525 H 28.3777 17.7779 18.3460 526 H 29.2651 18.6256 16.1301 527 H 30.9995 18.2395 16.6513 528 H 28.7457 16.2140 16.3932 529 H 30.4042 15.8336 16.7543 530 H 29.2661 16.9286 14.1652 531 H 31.0848 16.7676 14.4403 532 H 29.0656 14.6502 14.4279 533 H 30.7435 14.4021 14.7343 534 H 31.1220 15.3886 12.3375 535 H 29.3381 15.5041 12.2174 536 H 30.2884 13.5658 11.0407 537 N 20.7518 19.6694 10.4588 538 C 29.1146 27.5630 18.6991 539 C 28.4203 26.0475 18.4242 540 C 27.5982 26.0553 17.1540 541 C 26.8575 24.8972 16.8616 542 C 26.0463 24.8850 15.5237 543 C 25.3839 23.5281 15.2089 544 C 24.4960 23.5577 13.9409 545 C 23.8574 22.1134 13.6565 546 C 23.0509 22.1623 12.4244 547 C 22.4478 20.8416 12.0650 548 C 21.3256 20.9866 10.8911 549 H 20.4297 19.1712 11.3970 550 H 21.6136 19.0285 10.0596 551 H 28.3464 28.1905 18.8713 552 H 29.7515 27.7987 17.7863 553 H 27.8985 25.8188 19.2204 554 H 29.1291 25.2641 18.3080 555 H 28.2183 26.3652 16.2197 556 H 26.8799 26.9547 17.2039 557 H 27.6264 23.9776 16.7008 558 H 26.3166 24.5231 17.7180 559 H 25.4099 25.6957 15.5429 560 H 26.7529 25.0514 14.6224 561 H 26.0957 22.6219 15.2817 562 H 24.6493 23.2895 16.1160 563 H 23.7342 24.3153 13.9967 564 H 25.2256 23.7339 13.1233 565 H 23.4043 21.7555 14.4787 566 H 24.6925 21.4165 13.4793 567 H 22.1455 22.9499 12.6883 568 H 23.5135 22.6240 11.5929 569 H 21.9790 20.3791 12.8669 570 H 23.2525 20.1610 11.6453 571 H 21.8733 21.3882 10.0003 572 H 20.5221 21.5762 11.2251 573 H 20.0637 19.7729 9.7096 574 N 41.2527 31.8615 6.6433 575 C 34.7909 30.1802 19.0699 576 C 34.8792 31.0143 17.6776 577 C 35.9987 30.3880 16.8265 578 C 36.2102 31.0484 15.4612 579 C 37.2272 30.6205 14.7098 580 C 37.4446 31.3373 13.3200 581 C 38.6062 30.7411 12.4247 582 C 38.7052 31.5217 11.0725 583 C 39.9012 30.8957 10.2647 584 C 39.8658 31.5782 8.8645 585 C 41.2259 31.2518 8.1369 586 H 41.2244 32.9492 6.7834 587 H 40.4812 31.4494 6.0000 588 H 35.6294 30.3233 19.7436 589 H 34.5919 29.1323 18.9028 590 H 34.9983 32.0889 17.8303 591 H 33.9244 30.7777 17.0638 592 H 35.8308 29.3106 16.6251 593 H 36.9236 30.3913 17.4107 594 H 35.1365 31.1325 14.9682 595 H 36.2900 32.1830 15.6772 596 H 38.2513 30.6445 15.0879 597 H 37.0736 29.5043 14.4308 598 H 36.4989 31.3123 12.7543 599 H 37.6304 32.4575 13.5482 600 H 39.6134 30.8464 12.9034 601 H 38.2906 29.6209 12.1617 602 H 38.7437 32.6131 11.1434 603 H 37.7687 31.3127 10.4996 604 H 40.8644 31.3043 10.7640 605 H 39.7764 29.8240 10.0903 606 H 39.8543 32.7197 8.9199 607 H 39.0096 31.3639 8.2302 608 H 41.2372 30.1897 7.9194 609 H 42.1345 31.6109 8.5982 610 H 42.1687 31.6027 6.2714 611 N 13.9642 46.4586 21.0670 612 C 21.6268 35.2074 24.1548 613 C 21.4117 36.4143 23.1843 614 C 20.1549 37.2077 23.7199 615 C 19.8407 38.4660 22.7678 616 C 18.7411 39.2559 23.2290 617 C 18.4782 40.3491 22.3770 618 C 17.2505 41.2226 22.8510 619 C 16.9408 42.5005 21.9211 620 C 15.6695 43.2816 22.3164 621 C 15.3976 44.5931 21.3843 622 C 14.2048 45.2442 21.7383 623 H 14.0056 46.2967 19.9947 624 H 14.6364 47.2595 21.4114 625 H 20.9179 34.4617 24.0745 626 H 21.7152 35.4653 25.2559 627 H 21.3901 36.0372 22.1990 628 H 22.3025 37.0987 23.2644 629 H 20.3333 37.5246 24.7527 630 H 19.3333 36.5302 23.7000 631 H 20.7819 39.0453 22.7478 632 H 19.7122 38.1285 21.8060 633 H 17.7869 38.6191 23.3203 634 H 18.9354 39.6338 24.2772 635 H 19.3107 40.9691 22.1917 636 H 18.1384 40.0310 21.3996 637 H 16.4026 40.6597 22.8212 638 H 17.2696 41.5541 23.7861 639 H 16.8691 42.1741 20.8233 640 H 17.7211 43.2044 21.9314 641 H 14.8189 42.6790 22.0826 642 H 15.5650 43.4726 23.4087 643 H 15.6293 44.2441 20.4126 644 H 16.2880 45.2219 21.8099 645 H 13.9911 45.4453 22.8846 646 H 13.3603 44.5515 21.5274 647 H 12.9681 46.8971 21.2197 648 N 20.5096 46.9846 12.8019 649 C 26.5892 38.2689 21.8494 650 C 25.4725 39.3609 21.5113 651 C 25.5561 39.7244 20.1666 652 C 24.4797 41.0268 19.8584 653 C 24.5652 41.2970 18.3543 654 C 23.6017 42.4743 18.0958 655 C 23.5292 42.8592 16.5942 656 C 22.4691 44.0010 16.3379 657 C 22.3922 44.5019 14.8834 658 C 21.4250 45.4527 14.6104 659 C 21.6359 46.0060 13.1742 660 H 20.3563 47.7251 13.4463 661 H 19.5873 46.5610 12.7539 662 H 27.6456 38.6188 21.6509 663 H 26.4484 37.3821 21.2371 664 H 25.7988 40.1979 22.2368 665 H 24.6070 38.9196 21.7609 666 H 25.3726 38.8542 19.4059 667 H 26.5995 40.0570 19.8222 668 H 23.4814 40.5518 20.1108 669 H 24.7812 41.7772 20.4855 670 H 25.4891 41.5621 17.9839 671 H 24.2383 40.4724 17.7022 672 H 22.5516 42.0410 18.4324 673 H 23.7900 43.3145 18.7054 674 H 24.5901 43.1680 16.1434 675 H 23.3285 42.0746 16.0338 676 H 22.6201 44.7649 17.0484 677 H 21.4231 43.5610 16.5356 678 H 23.5774 45.0770 14.7213 679 H 22.4535 43.6198 14.0799 680 H 21.3998 46.2730 15.2646 681 H 20.4508 44.9395 14.7026 682 H 21.5798 45.2582 12.3688 683 H 22.5302 46.6573 13.0143 684 H 20.6262 47.4253 11.7708 685 N 11.8465 30.0802 41.3280 686 C 21.8937 25.6812 32.5309 687 C 20.8197 26.7226 32.8704 688 C 20.1047 26.3089 34.0433 689 C 18.9997 27.4190 34.5829 690 C 18.3480 27.0971 35.8588 691 C 17.2010 27.9999 36.1794 692 C 16.5192 27.7956 37.5124 693 C 15.4229 28.7819 37.9414 694 C 14.5739 28.2851 39.1296 695 C 13.6120 29.4701 39.5976 696 C 12.8045 29.1032 40.7976 697 H 11.2699 30.4841 40.4583 698 H 12.4675 30.9218 41.7201 699 H 21.3565 24.6187 32.3326 700 H 22.6332 25.5065 33.2558 701 H 20.1558 26.7518 32.1342 702 H 21.2636 27.7213 32.9771 703 H 20.8496 26.2325 34.9846 704 H 19.6422 25.2846 34.0984 705 H 19.4271 28.3462 34.5439 706 H 18.1323 27.3849 33.8436 707 H 17.9176 26.0131 35.7993 708 H 19.0447 27.0497 36.6128 709 H 17.6713 29.0875 36.2576 710 H 16.4674 28.0362 35.4134 711 H 16.0372 26.7239 37.4335 712 H 17.2481 27.7371 38.2613 713 H 14.6745 28.9514 37.0722 714 H 15.9566 29.7639 38.0668 715 H 14.1641 27.3864 38.9162 716 H 15.3358 28.0873 39.9755 717 H 13.0968 29.7818 38.7792 718 H 14.1720 30.3720 39.8639 719 H 13.4297 28.8050 41.6708 720 H 12.1340 28.1907 40.5324 721 H 11.3192 29.8075 41.9982 722 N 6.7820 35.6756 27.1009 723 C 19.6941 30.4625 28.9639 724 C 18.5754 31.4265 29.3108 725 C 17.4299 31.1957 28.5170 726 C 16.3565 32.3080 28.8526 727 C 14.9402 32.1361 28.1406 728 C 13.7996 33.2826 28.3367 729 C 12.5898 33.0212 27.6631 730 C 11.4388 34.0651 28.1371 731 C 10.2039 33.9766 27.1213 732 C 9.1705 34.8994 27.5904 733 C 7.9974 34.9582 26.6481 734 H 7.1658 36.6729 27.2098 735 H 6.4206 35.4561 28.0289 736 H 19.9770 30.5738 27.8651 737 H 19.3185 29.4302 29.0409 738 H 18.9678 32.4561 29.2295 739 H 18.3347 31.3955 30.4072 740 H 16.8944 30.2269 28.6723 741 H 17.5749 31.3347 27.5032 742 H 16.1040 32.2153 29.8499 743 H 16.7108 33.2879 28.7360 744 H 15.0820 32.2207 26.9289 745 H 14.5739 31.1422 28.2180 746 H 13.6820 33.2140 29.4991 747 H 14.3604 34.3062 28.1273 748 H 12.8880 33.1436 26.5065 749 H 12.1530 32.0070 27.8249 750 H 11.9211 35.1435 27.9249 751 H 11.2360 33.8055 29.1082 752 H 10.5943 34.1916 25.9833 753 H 9.9081 32.9497 27.1530 754 H 9.5885 35.8779 27.7438 755 H 8.8744 34.5134 28.6467 756 H 7.5354 33.8510 26.5620 757 H 8.2325 35.2079 25.6655 758 H 6.0000 35.7018 26.4211 759 N 21.8837 11.3375 17.8505 760 C 25.6935 24.2307 21.6514 761 C 26.0839 22.7768 21.3797 762 C 24.9725 21.9592 20.8664 763 C 25.3434 20.5821 20.7465 764 C 24.1074 19.6192 20.1377 765 C 24.4699 18.1989 20.0914 766 C 23.3176 17.2612 19.5413 767 C 23.5996 15.8540 19.2505 768 C 22.5486 15.1659 18.8798 769 C 22.8243 13.5955 18.5453 770 C 21.5831 12.8131 18.2354 771 H 22.5561 10.8639 18.5839 772 H 22.4999 11.2408 16.8788 773 H 24.9794 24.3778 22.4351 774 H 25.3882 24.7938 20.6748 775 H 26.5805 22.3145 22.2652 776 H 26.9705 22.7783 20.5865 777 H 24.5367 22.3131 19.9338 778 H 24.1600 22.0943 21.6585 779 H 26.1241 20.4079 19.9624 780 H 25.6634 20.0938 21.6790 781 H 23.2149 19.6615 20.9177 782 H 23.7465 20.0208 19.2405 783 H 25.2955 18.1286 19.3788 784 H 24.8024 17.7069 21.0584 785 H 22.4541 17.3691 20.2079 786 H 22.8249 17.8022 18.4964 787 H 24.0544 15.3726 20.1979 788 H 24.3837 15.8967 18.4163 789 H 21.6340 14.9551 19.7412 790 H 21.9224 15.4401 17.9958 791 H 23.4334 13.1763 19.4015 792 H 23.4797 13.4960 17.6000 793 H 21.0109 13.0839 17.3514 794 H 20.9766 12.6375 19.1154 795 H 21.0275 10.7117 17.6697 796 N 11.3147 45.2511 31.9425 797 C 20.5424 35.4872 27.8597 798 C 19.6084 36.0167 28.8920 799 C 18.8832 37.3995 28.5106 800 C 17.9477 37.9520 29.5410 801 C 17.2343 39.2934 29.2018 802 C 16.2656 39.8168 30.2593 803 C 15.5208 41.0748 29.8660 804 C 14.5319 41.5018 30.8850 805 C 13.9667 42.9138 30.4740 806 C 12.9072 43.2815 31.5089 807 C 12.4194 44.7181 31.0957 808 H 11.5216 45.2256 33.0664 809 H 10.4044 44.6503 31.9449 810 H 21.4347 36.2301 27.7315 811 H 20.0634 35.4091 26.9164 812 H 20.1398 36.2891 29.8692 813 H 18.7640 35.4092 29.2075 814 H 18.3115 37.2526 27.5433 815 H 19.7158 38.1611 28.2586 816 H 17.2051 37.1320 29.7910 817 H 18.5114 38.1452 30.4570 818 H 18.0180 40.0531 28.8071 819 H 16.6648 39.0176 28.2526 820 H 15.6098 39.0345 30.5474 821 H 16.8681 40.0421 31.1641 822 H 16.2691 41.8320 29.5857 823 H 15.0255 40.8842 28.9660 824 H 15.0590 41.5825 31.8239 825 H 13.8316 40.7814 31.0591 826 H 14.6784 43.6869 30.3463 827 H 13.5868 42.9088 29.4137 828 H 13.2819 43.4111 32.4565 829 H 12.0543 42.6247 31.3812 830 H 11.9244 44.7193 30.0642 831 H 13.2246 45.4272 31.1948 832 H 10.9649 46.1752 31.8464 833 N 19.0758 12.1365 39.8232 834 C 25.6833 22.0586 32.4303 835 C 24.4034 21.7299 33.2487 836 C 24.5616 20.1240 33.8140 837 C 23.3894 19.6879 34.4470 838 C 23.5344 18.3123 35.1270 839 C 22.1458 17.7486 35.7131 840 C 22.4376 16.5515 36.4533 841 C 21.1573 15.9534 37.1759 842 C 21.3313 14.5164 37.8007 843 C 20.0317 14.0552 38.4561 844 C 20.2530 12.5331 38.9139 845 H 18.1277 12.2854 39.3135 846 H 18.9481 12.6252 40.6606 847 H 25.8950 21.4239 31.6230 848 H 26.6692 22.1318 33.1164 849 H 23.5764 21.6192 32.5749 850 H 24.0810 22.1994 34.0755 851 H 25.4710 20.1726 34.5541 852 H 24.8184 19.4859 33.0176 853 H 23.0637 20.3392 35.2199 854 H 22.5069 19.6129 33.6648 855 H 23.8943 17.5209 34.4093 856 H 24.3701 18.3556 35.8979 857 H 21.8073 18.4807 36.4879 858 H 21.6062 17.6268 35.0516 859 H 22.7895 15.6696 35.7693 860 H 23.2780 16.4807 37.1590 861 H 20.3728 16.0021 36.4294 862 H 20.8637 16.5885 37.9387 863 H 21.4790 13.8524 36.8338 864 H 22.2083 14.4246 38.3775 865 H 19.0602 14.1204 37.9090 866 H 20.0238 14.6517 39.2944 867 H 21.1555 12.3837 39.4863 868 H 20.2327 11.8934 38.0392 869 H 19.0352 11.1229 40.0588 870 N 17.9752 31.0847 48.1125 871 C 23.7271 26.9711 36.0825 872 C 23.8326 27.5689 37.4561 873 C 22.6088 27.6968 38.2142 874 C 22.6700 28.3929 39.5668 875 C 21.3129 28.4451 40.3656 876 C 21.4687 29.0482 41.6990 877 C 20.2124 29.1261 42.4986 878 C 20.4257 29.7797 43.8859 879 C 19.0562 29.8501 44.6262 880 C 19.2643 30.4074 45.9970 881 C 17.7893 30.6224 46.6489 882 H 18.5193 31.9395 48.1979 883 H 18.4038 30.3471 48.8161 884 H 23.1074 27.6151 35.3785 885 H 23.3272 25.8823 36.1701 886 H 24.3235 28.5978 37.2798 887 H 24.5351 26.9969 37.9833 888 H 22.1310 26.5815 38.3355 889 H 21.7508 28.2554 37.5919 890 H 23.3897 27.8104 40.1541 891 H 23.0312 29.2970 39.3214 892 H 20.6032 28.8102 39.7311 893 H 20.9698 27.3799 40.4701 894 H 22.2559 28.5997 42.2952 895 H 21.8721 30.1264 41.4486 896 H 19.4699 29.7164 41.8627 897 H 19.7742 28.0897 42.5730 898 H 20.8592 30.7792 43.8529 899 H 20.9466 29.1211 44.5474 900 H 18.3896 30.6506 44.1319 901 H 18.5213 28.9501 44.6786 902 H 19.7733 31.3504 46.0221 903 H 19.8207 29.6455 46.7134 904 H 17.2239 29.7014 46.7325 905 H 17.1620 31.4982 46.2071 906 H 16.9647 31.3910 48.6180 907 N 37.8569 20.7018 7.4908 908 C 34.2303 26.2435 19.8241 909 C 34.2480 25.0194 18.7931 910 C 34.9263 25.4796 17.5210 911 C 34.8368 24.3204 16.4888 912 C 35.5962 24.5356 15.2857 913 C 35.6316 23.3701 14.2468 914 C 36.3342 23.6597 12.7923 915 C 36.3782 22.4456 11.9143 916 C 37.0249 22.7594 10.6999 917 C 37.2364 21.5222 9.6958 918 C 37.6679 21.9213 8.3374 919 H 36.9589 20.1341 7.3404 920 H 38.6774 20.0797 7.8213 921 H 33.5085 27.0755 19.3801 922 H 35.1467 26.6350 19.9514 923 H 33.1448 24.6886 18.5868 924 H 34.7044 24.1423 19.2781 925 H 35.8868 25.7119 17.6768 926 H 34.3523 26.2810 17.0682 927 H 35.3165 23.2866 16.9517 928 H 33.8169 23.9026 16.2542 929 H 35.1025 25.3882 14.7407 930 H 36.6915 24.7588 15.4107 931 H 35.9765 22.4545 14.6679 932 H 34.5679 22.9999 13.9785 933 H 35.8658 24.4921 12.5378 934 H 37.3786 23.9115 13.1450 935 H 35.2873 22.0248 11.7784 936 H 37.0192 21.5952 12.4421 937 H 36.3473 23.6166 10.0952 938 H 38.0862 23.2798 10.7836 939 H 36.2066 21.0492 9.5024 940 H 37.8344 20.8631 10.1636 941 H 38.5715 22.4552 8.4697 942 H 37.0224 22.5959 7.8532 943 H 38.1471 20.9831 6.4019 944 N 49.2232 17.3547 28.5261 945 C 37.3488 24.0891 24.8539 946 C 38.8928 24.0311 25.3459 947 C 39.3482 22.7285 25.3614 948 C 40.8412 22.6345 25.9867 949 C 41.4731 21.2940 26.0313 950 C 42.8779 21.4078 26.6366 951 C 43.6157 20.0689 26.6990 952 C 44.9961 20.0505 27.3278 953 C 45.6761 18.6548 27.4609 954 C 47.0748 18.7780 27.9061 955 C 47.6704 17.3086 28.0961 956 H 49.3310 18.0308 29.3591 957 H 49.7802 17.6202 27.7254 958 H 36.7067 23.3630 25.3880 959 H 37.3270 23.5456 23.7651 960 H 38.6555 24.3999 26.3008 961 H 39.4262 24.5552 24.6691 962 H 39.4368 22.2726 24.3928 963 H 38.8027 21.9960 25.9198 964 H 41.4937 23.4028 25.4604 965 H 40.9771 23.0017 27.1245 966 H 40.8639 20.6249 26.6103 967 H 41.5722 20.8964 25.0471 968 H 43.4572 22.1295 26.1213 969 H 42.7656 21.7358 27.7844 970 H 42.9795 19.3234 27.2965 971 H 43.6614 19.6176 25.7969 972 H 45.0290 20.6167 28.2481 973 H 45.7206 20.6395 26.6311 974 H 45.0674 18.0958 28.1724 975 H 45.6139 18.1218 26.4937 976 H 47.2968 19.3979 28.8477 977 H 47.7117 19.2095 27.1651 978 H 47.6668 16.7872 27.2163 979 H 47.1454 16.7676 28.9437 980 H 49.5305 16.3729 28.8133 981 N 41.0465 11.0619 35.5667 982 C 34.9969 21.9285 29.4180 983 C 36.0574 21.1363 29.5476 984 C 35.9957 20.1592 30.6117 985 C 37.2256 19.1483 30.7583 986 C 37.0208 18.0062 31.8340 987 C 38.1232 17.0836 31.9483 988 C 38.0434 16.0431 33.1115 989 C 39.0970 14.9526 33.1729 990 C 38.9224 14.0847 34.2795 991 C 40.2080 13.0576 34.3586 992 C 40.0881 12.1101 35.6333 993 H 42.0443 11.4427 35.5919 994 H 40.9264 10.3613 34.7669 995 H 34.9044 22.6850 30.3449 996 H 33.9762 21.6733 29.3889 997 H 37.1234 21.6225 29.6120 998 H 36.1616 20.5288 28.5674 999 H 34.9683 19.5381 30.5175 1000 H 35.7690 20.5922 31.5896 1001 H 37.3674 18.6129 29.7353 1002 H 38.0967 19.5886 30.9964 1003 H 36.7747 18.5698 32.9067 1004 H 35.9822 17.4061 31.6532 1005 H 38.3753 16.5346 30.8875 1006 H 39.0450 17.7255 32.2618 1007 H 37.8585 16.5394 34.1303 1008 H 36.9378 15.4968 32.9428 1009 H 40.1137 15.5525 33.2133 1010 H 39.0270 14.4298 32.2425 1011 H 39.0158 14.6736 35.3080 1012 H 38.0091 13.6102 34.2927 1013 H 41.0943 13.5137 34.3041 1014 H 39.9823 12.3892 33.4921 1015 H 38.9451 11.7157 35.6835 1016 H 40.2262 12.8045 36.4457 1017 H 40.9873 10.5009 36.4983 1018 N 52.4301 28.1404 22.2418 1019 C 39.2992 26.4877 27.1269 1020 C 40.7546 26.0642 27.0704 1021 C 41.5728 26.8924 26.1917 1022 C 43.1315 26.4825 26.0796 1023 C 43.9718 27.3241 25.3081 1024 C 45.3794 26.9515 25.0550 1025 C 46.3659 27.8161 24.2881 1026 C 47.7423 27.3017 24.2666 1027 C 48.5996 28.0441 23.1979 1028 C 50.0615 27.7559 23.2758 1029 C 50.9292 28.4199 22.2488 1030 H 52.4156 27.1877 22.1287 1031 H 52.8127 28.4361 23.2430 1032 H 38.8721 26.5291 26.1459 1033 H 39.2678 27.5497 27.5531 1034 H 40.8534 25.0934 26.6729 1035 H 41.1845 25.9993 28.1214 1036 H 41.6103 27.9096 26.5042 1037 H 41.1370 27.0007 25.1061 1038 H 43.4932 26.4030 27.0729 1039 H 43.0145 25.5134 25.7281 1040 H 43.4699 27.4754 24.2416 1041 H 43.9356 28.3925 25.7043 1042 H 45.7068 26.8059 26.1047 1043 H 45.3291 25.8572 24.6380 1044 H 45.7876 27.9230 23.2348 1045 H 46.2600 28.8506 24.6192 1046 H 47.7945 26.2397 23.9429 1047 H 48.0561 27.3475 25.1929 1048 H 48.2180 28.0649 22.1919 1049 H 48.4662 29.2074 23.4664 1050 H 50.2136 26.6403 22.9402 1051 H 50.4702 27.8662 24.2019 1052 H 50.7384 29.6087 22.4666 1053 H 50.5450 28.2620 21.2434 1054 H 52.8335 28.6453 21.4330 1055 N 52.2859 22.4520 34.8661 1056 C 39.3086 27.3131 33.1771 1057 C 40.8451 27.5214 33.3465 1058 C 41.5654 26.2693 33.4714 1059 C 43.0922 26.6089 33.6948 1060 C 43.9924 25.3135 33.7906 1061 C 45.4228 25.5179 34.0738 1062 C 46.2164 24.3335 34.2140 1063 C 47.8729 24.5266 34.2701 1064 C 48.7102 23.2608 34.4692 1065 C 50.0146 23.5693 34.4163 1066 C 50.8551 22.3085 34.9376 1067 H 52.7098 23.2996 35.5109 1068 H 52.6526 22.5905 33.8268 1069 H 38.9806 26.9708 34.1979 1070 H 39.1498 26.5572 32.5043 1071 H 41.0966 28.3455 34.2064 1072 H 41.0725 28.0402 32.3363 1073 H 41.4654 25.5467 32.7548 1074 H 41.3183 25.8418 34.4742 1075 H 43.4214 27.0595 32.8351 1076 H 43.3405 27.2358 34.5011 1077 H 43.4714 24.6736 34.8193 1078 H 43.7192 24.6353 33.0253 1079 H 45.7387 26.1389 33.1802 1080 H 45.5971 26.3553 34.7999 1081 H 46.0084 23.7471 35.1217 1082 H 46.0862 23.5660 33.3409 1083 H 47.9000 25.3448 35.0158 1084 H 48.1505 25.0303 33.2926 1085 H 48.3110 22.8640 35.5043 1086 H 48.3968 22.5681 33.8123 1087 H 50.3757 24.3243 35.2388 1088 H 50.4473 23.9354 33.4517 1089 H 50.6247 21.4391 34.3143 1090 H 50.6436 21.9651 36.0129 1091 H 52.9115 21.5713 35.2933 1092 N 53.8054 31.0824 34.4622 1093 C 41.1471 30.9025 28.3437 1094 C 42.0856 30.2879 29.0885 1095 C 43.5049 31.0991 29.3758 1096 C 44.4941 30.3887 30.2488 1097 C 45.6220 31.3400 30.4787 1098 C 46.7904 30.4868 31.3042 1099 C 48.0230 31.3525 31.5795 1100 C 49.1525 30.6608 32.3750 1101 C 50.3603 31.5875 32.5863 1102 C 51.4628 30.8877 33.5477 1103 C 52.7273 31.6139 33.5363 1104 H 54.0722 30.0250 34.1857 1105 H 53.4330 31.1008 35.4106 1106 H 41.5539 31.2931 27.3449 1107 H 40.7707 31.8070 28.8419 1108 H 42.5408 29.3290 28.6649 1109 H 41.7403 29.8986 30.1856 1110 H 43.1828 31.9635 29.9943 1111 H 43.8610 31.5082 28.3420 1112 H 44.0385 30.0333 31.1599 1113 H 44.9315 29.5346 29.6146 1114 H 46.0984 31.7271 29.4607 1115 H 45.5139 32.1487 31.1218 1116 H 46.4720 30.1345 32.1396 1117 H 47.1507 29.6808 30.6375 1118 H 48.4896 31.7418 30.5754 1119 H 47.6368 32.3495 31.9976 1120 H 49.3337 29.6523 31.8134 1121 H 48.6478 30.4341 33.4557 1122 H 50.8382 31.7145 31.5603 1123 H 50.1614 32.5274 32.8695 1124 H 51.7268 29.9362 33.0269 1125 H 50.9623 30.7566 34.4251 1126 H 52.5821 32.6652 33.9710 1127 H 53.2772 31.7257 32.5824 1128 H 54.7124 31.5828 34.3760 1129 N 28.0319 42.5696 6.9539 1130 C 28.8559 35.9814 19.3425 1131 C 29.6086 36.7517 18.0658 1132 C 28.6356 37.2582 17.2235 1133 C 29.2635 37.8065 15.9041 1134 C 28.3124 38.3684 14.8868 1135 C 28.8593 38.9677 13.6241 1136 C 28.0028 39.6438 12.5738 1137 C 28.6792 40.2883 11.3628 1138 C 27.6897 40.6516 10.3735 1139 C 28.4102 41.3324 9.1486 1140 C 27.3695 41.7483 8.1059 1141 H 28.8571 41.9091 6.5748 1142 H 28.3856 43.5422 7.2871 1143 H 28.3927 35.1723 19.1083 1144 H 28.2966 36.7444 19.9492 1145 H 30.3190 35.9394 17.5929 1146 H 30.2008 37.4920 18.4793 1147 H 27.9383 37.9548 17.6647 1148 H 27.9671 36.3108 16.7945 1149 H 29.9556 38.5463 16.1722 1150 H 29.8694 36.9410 15.3757 1151 H 27.5417 37.4541 14.6710 1152 H 27.7717 39.1555 15.3531 1153 H 29.6691 39.7803 14.0165 1154 H 29.5714 38.1796 13.1378 1155 H 27.2511 38.7374 12.2624 1156 H 27.3638 40.2858 13.1102 1157 H 29.4072 39.4761 10.9012 1158 H 29.2716 40.9803 11.7979 1159 H 27.0580 39.8441 10.0102 1160 H 26.9451 41.1902 10.7713 1161 H 29.1992 40.7209 8.7232 1162 H 28.9614 42.3462 9.5055 1163 H 26.5032 42.3655 8.4547 1164 H 26.9880 40.8254 7.6549 1165 H 27.4248 42.7326 6.1703 1166 N 35.9918 52.7258 27.4599 1167 C 31.3033 40.1464 23.3594 1168 C 31.1479 41.3324 24.2209 1169 C 32.3068 42.4266 23.9703 1170 C 32.2350 43.6016 24.9596 1171 C 33.1793 44.7085 24.6625 1172 C 33.1018 45.9297 25.6127 1173 C 34.1105 46.9881 25.1857 1174 C 33.9961 48.3094 26.1209 1175 C 35.1496 49.1998 26.1180 1176 C 34.8892 50.4665 26.8521 1177 C 36.2985 51.4135 26.6384 1178 H 35.8354 52.6867 28.4456 1179 H 35.2149 53.3204 26.9189 1180 H 32.2697 39.6793 23.6812 1181 H 31.3381 40.4760 22.3057 1182 H 31.1511 41.1929 25.2150 1183 H 30.2080 41.8563 23.8830 1184 H 32.3609 42.8285 22.8424 1185 H 33.2756 41.9413 24.2103 1186 H 31.1801 44.0440 24.7099 1187 H 32.1414 43.2330 25.9962 1188 H 34.3057 44.2215 24.7950 1189 H 33.2910 45.0240 23.6282 1190 H 32.1284 46.4293 25.4260 1191 H 33.1890 45.5163 26.6174 1192 H 35.1716 46.4891 25.4765 1193 H 34.1778 47.3451 24.3068 1194 H 34.0212 47.8920 27.2172 1195 H 33.0385 48.6939 25.8136 1196 H 36.1958 48.7054 26.4278 1197 H 35.4080 49.5502 24.8725 1198 H 34.8101 50.3624 27.7854 1199 H 34.1539 51.0607 26.3525 1200 H 36.4304 51.6266 25.7644 1201 H 37.0771 50.9945 27.1444 1202 H 36.8520 53.3674 27.3283 1203 N 43.8554 50.9124 24.7776 1204 C 35.4745 39.8156 26.5091 1205 C 35.8490 41.0548 25.7494 1206 C 37.1514 41.7993 26.2211 1207 C 37.4221 42.9871 25.6109 1208 C 38.8061 43.6771 26.0343 1209 C 39.0316 44.9966 25.3840 1210 C 40.3360 45.6816 25.8535 1211 C 40.6768 47.0362 25.1503 1212 C 41.8569 47.7398 25.6917 1213 C 42.2867 48.9463 24.8929 1214 C 43.3803 49.6953 25.5163 1215 H 43.0250 51.6012 24.6361 1216 H 44.3078 50.6195 23.8496 1217 H 35.3299 39.9972 27.5037 1218 H 36.3244 39.1032 26.3725 1219 H 34.8624 41.8128 25.9861 1220 H 35.8967 40.8777 24.6994 1221 H 37.9560 41.1208 26.0859 1222 H 37.0412 41.9402 27.3732 1223 H 37.4613 42.9864 24.5578 1224 H 36.5129 43.8295 25.7816 1225 H 38.6911 43.8527 27.1667 1226 H 39.6081 43.0293 25.8120 1227 H 38.9822 44.9545 24.3787 1228 H 38.1885 45.7218 25.7565 1229 H 40.2779 45.9658 26.9461 1230 H 41.1585 45.0363 25.7759 1231 H 39.8280 47.7451 25.1744 1232 H 40.7631 46.8193 24.1100 1233 H 41.6753 48.0477 26.8246 1234 H 42.6800 46.9763 25.7052 1235 H 41.4165 49.6285 24.8930 1236 H 42.5514 48.6902 23.7982 1237 H 44.2499 49.0665 25.5418 1238 H 43.2143 50.0600 26.7188 1239 H 44.7497 51.4259 25.2836 1240 N 23.3265 53.7948 25.8741 1241 C 29.0869 40.9911 27.0353 1242 C 29.2823 42.5875 27.1277 1243 C 27.8642 43.2920 26.7064 1244 C 27.9696 44.7751 26.9296 1245 C 26.7772 45.4762 26.5053 1246 C 26.8804 46.9518 26.5872 1247 C 25.6375 47.7752 26.2713 1248 C 25.6429 49.2632 26.3546 1249 C 24.4638 50.0864 25.8866 1250 C 24.4668 51.5345 26.3171 1251 C 23.2748 52.1949 25.5461 1252 H 24.1692 54.2848 25.6496 1253 H 23.1519 53.9037 26.9893 1254 H 29.0091 40.8101 25.9541 1255 H 28.3244 40.5659 27.6346 1256 H 30.1505 42.8985 26.6674 1257 H 29.4355 42.7238 28.2106 1258 H 27.0383 42.8981 27.2502 1259 H 27.6941 42.8869 25.6927 1260 H 28.3337 45.0044 27.8794 1261 H 28.8421 45.1651 26.2367 1262 H 26.5083 45.1804 25.4916 1263 H 26.0266 45.1765 27.1427 1264 H 27.2165 47.2748 27.6522 1265 H 27.6997 47.3601 25.9765 1266 H 25.2995 47.4912 25.1418 1267 H 24.6994 47.2981 26.8783 1268 H 26.5414 49.6929 25.9486 1269 H 25.7445 49.5222 27.5770 1270 H 24.3024 49.8720 24.8297 1271 H 23.5556 49.5151 26.3313 1272 H 25.4073 51.9498 25.8346 1273 H 24.4571 51.6646 27.3578 1274 H 22.3435 51.8364 25.9874 1275 H 23.3570 52.0952 24.5725 1276 H 22.5362 54.2120 25.4475 1277 N 28.4583 51.0563 37.9444 1278 C 33.7613 40.8766 29.9320 1279 C 33.3481 41.3253 31.2206 1280 C 32.8221 42.7907 31.2671 1281 C 32.3388 43.4026 32.6345 1282 C 31.9248 44.7291 32.5797 1283 C 31.3925 45.2235 33.9989 1284 C 30.9760 46.6187 33.9582 1285 C 30.4069 47.0711 35.3742 1286 C 29.9675 48.6035 35.3447 1287 C 29.3726 49.0503 36.7004 1288 C 29.0982 50.5069 36.7369 1289 H 29.1713 50.7693 38.8961 1290 H 27.4598 50.5842 38.1009 1291 H 34.6050 41.4490 29.6005 1292 H 33.0560 41.0154 29.0472 1293 H 34.1340 41.2746 31.9808 1294 H 32.4155 40.6770 31.5779 1295 H 32.0447 42.8197 30.4938 1296 H 33.6693 43.5177 30.8720 1297 H 31.6600 42.6035 32.8959 1298 H 33.2370 43.3028 33.3661 1299 H 32.6684 45.4512 32.1800 1300 H 30.9722 44.8046 31.9919 1301 H 30.6649 44.6413 34.3851 1302 H 32.4047 45.1266 34.6773 1303 H 31.6546 47.2969 33.6241 1304 H 30.1329 46.7020 33.1738 1305 H 31.1972 46.9693 36.1291 1306 H 29.6063 46.5111 35.7471 1307 H 30.8941 49.2203 35.0459 1308 H 29.2539 48.7857 34.6141 1309 H 30.1354 48.7499 37.5375 1310 H 28.5216 48.5607 36.9585 1311 H 28.4543 50.8316 35.9424 1312 H 30.0973 51.0701 36.5900 1313 H 28.3232 52.0730 38.0827 1314 N 37.9165 39.3789 48.7854 1315 C 34.3834 37.9445 35.3605 1316 C 33.9347 37.8972 36.8386 1317 C 35.1032 38.3244 37.7587 1318 C 34.7383 38.1894 39.2061 1319 C 35.9245 38.5882 40.1524 1320 C 35.5180 38.5908 41.6250 1321 C 36.7524 38.7922 42.5809 1322 C 36.3303 38.7879 44.1378 1323 C 37.5708 39.0407 44.9229 1324 C 37.1111 39.2257 46.4626 1325 C 38.3221 39.3150 47.4256 1326 H 37.3235 38.6907 49.2192 1327 H 37.5692 40.5947 48.9039 1328 H 35.0463 36.9828 35.1774 1329 H 34.7966 38.9555 35.0052 1330 H 33.3781 36.9867 36.9932 1331 H 33.2305 38.6480 36.9680 1332 H 35.5067 39.1658 37.5486 1333 H 35.9359 37.4031 37.5485 1334 H 33.9619 38.9810 39.3104 1335 H 34.3671 37.1029 39.4472 1336 H 36.7329 37.8473 39.9576 1337 H 36.2731 39.4804 39.9047 1338 H 34.7200 39.1755 41.7763 1339 H 35.1905 37.4698 41.8647 1340 H 37.6216 37.9994 42.3366 1341 H 37.1980 39.7570 42.2541 1342 H 35.7330 37.9469 44.3917 1343 H 35.6389 39.7537 44.1160 1344 H 38.1244 38.0505 44.8338 1345 H 38.1413 39.9685 44.6548 1346 H 36.4518 38.3430 46.7621 1347 H 36.5243 40.0530 46.5786 1348 H 39.0248 40.1020 47.1206 1349 H 39.0328 38.3511 47.3410 1350 H 38.7694 39.4746 49.4422 1351 N 43.9931 49.9601 34.5780 1352 C 37.3279 37.9108 32.4609 1353 C 38.1145 39.0621 31.9032 1354 C 38.3645 40.1013 32.9027 1355 C 39.2202 41.2560 32.4369 1356 C 39.5413 42.3414 33.5117 1357 C 40.3727 43.3869 32.9247 1358 C 40.7528 44.5099 33.9708 1359 C 41.5630 45.6120 33.4476 1360 C 41.9317 46.7064 34.5711 1361 C 42.7758 47.8833 33.9808 1362 C 43.0368 48.9555 35.0564 1363 H 43.7143 50.3538 33.6937 1364 H 44.9617 49.6406 34.5864 1365 H 36.2174 38.2995 32.6894 1366 H 37.7254 37.4125 33.2055 1367 H 37.5949 39.5615 31.0643 1368 H 39.0768 38.6225 31.5027 1369 H 38.9991 39.6068 33.8193 1370 H 37.5151 40.4349 33.4297 1371 H 40.1082 40.9314 31.9623 1372 H 38.6990 41.6413 31.5692 1373 H 38.6193 42.6351 33.9413 1374 H 40.2186 41.8135 34.3116 1375 H 41.2744 43.0357 32.5455 1376 H 39.7952 44.0344 32.1127 1377 H 39.8493 44.9877 34.4766 1378 H 41.2826 43.9841 34.8273 1379 H 41.2262 46.1127 32.5553 1380 H 42.6649 45.2927 33.1624 1381 H 40.9472 47.1291 34.6164 1382 H 42.3086 46.2972 35.3973 1383 H 42.5396 48.2179 33.0807 1384 H 43.8667 47.3329 33.8585 1385 H 43.3296 48.6207 35.9558 1386 H 42.0041 49.4779 35.1378 1387 H 44.0140 50.8059 35.1566 1388 N 51.9331 32.4988 39.9695 1389 C 40.0714 32.3373 32.4703 1390 C 40.7151 32.3051 33.8316 1391 C 42.2667 32.2979 33.7461 1392 C 43.0297 32.3066 35.1625 1393 C 44.5358 32.3598 34.9370 1394 C 45.2151 32.2620 36.2938 1395 C 46.7986 32.4782 36.1839 1396 C 47.4640 32.4003 37.5955 1397 C 49.0207 32.3861 37.3463 1398 C 49.5944 32.4419 38.8745 1399 C 51.1381 32.1238 38.7057 1400 H 51.6001 31.7531 40.6797 1401 H 51.8302 33.4575 40.3053 1402 H 40.3509 31.2201 31.9187 1403 H 40.3384 33.1355 31.8677 1404 H 40.5090 31.3518 34.4580 1405 H 40.5041 33.3033 34.3921 1406 H 42.6524 33.1030 33.0260 1407 H 42.6717 31.4284 33.1876 1408 H 42.6096 33.1705 35.7737 1409 H 42.7563 31.3973 35.6286 1410 H 44.8278 31.5794 34.2985 1411 H 44.8720 33.1936 34.3759 1412 H 44.9613 33.1020 37.0244 1413 H 44.9638 31.2687 36.8835 1414 H 47.1184 31.5273 35.6440 1415 H 46.9904 33.2624 35.7458 1416 H 47.1470 31.5700 38.2617 1417 H 47.2119 33.3423 38.0492 1418 H 49.2977 31.4104 36.9615 1419 H 49.4419 33.1027 36.7366 1420 H 49.3643 31.7140 39.5735 1421 H 49.4874 33.4582 39.2712 1422 H 51.6726 32.8957 37.9187 1423 H 51.5087 31.2525 38.3088 1424 H 52.9152 32.1912 39.7680 1425 N 47.1410 41.7754 39.2450 1426 C 40.1861 34.6336 29.5600 1427 C 40.5722 36.0051 30.0881 1428 C 41.4404 35.7874 31.2880 1429 C 41.9170 37.1857 31.9532 1430 C 42.8163 36.9421 33.0865 1431 C 43.1703 38.3633 33.7093 1432 C 44.0243 38.1737 34.9664 1433 C 44.5083 39.4836 35.5181 1434 C 45.2689 39.3982 36.8342 1435 C 45.7946 40.6624 37.4521 1436 C 46.5298 40.4976 38.7752 1437 H 46.3389 42.5993 39.3716 1438 H 47.9225 42.1844 38.6266 1439 H 39.5909 34.0967 30.1491 1440 H 41.0560 33.9701 29.2962 1441 H 39.7127 36.5381 30.3057 1442 H 41.2098 36.5370 29.3681 1443 H 42.3554 35.2058 31.0272 1444 H 40.9396 35.2094 32.0787 1445 H 42.4122 37.6220 31.1864 1446 H 40.9045 37.6802 32.2296 1447 H 42.2794 36.4407 33.9642 1448 H 43.6736 36.4075 32.8881 1449 H 43.6096 38.8773 32.9967 1450 H 42.1618 38.8564 34.0493 1451 H 43.4535 37.6241 35.8344 1452 H 44.9711 37.5385 34.7868 1453 H 43.7114 40.1816 35.7061 1454 H 45.1961 40.0757 34.8100 1455 H 44.7585 38.8904 37.6632 1456 H 46.1154 38.6595 36.6767 1457 H 45.0360 41.3828 37.5021 1458 H 46.6499 41.1327 36.5729 1459 H 47.4627 39.8051 38.6993 1460 H 45.8264 40.2076 39.5040 1461 H 47.5422 41.6409 40.2476 1462 N 51.0105 39.4299 19.6519 1463 C 39.5210 32.5990 23.6101 1464 C 40.8914 33.0973 23.9393 1465 C 41.4536 33.7927 22.6618 1466 C 42.9786 34.4038 23.0455 1467 C 43.6194 35.0827 21.8854 1468 C 44.9770 35.6495 22.1721 1469 C 45.6083 36.4188 21.0798 1470 C 46.9731 36.9534 21.3235 1471 C 47.5782 37.6188 20.2127 1472 C 49.0523 38.1647 20.5327 1473 C 49.6325 38.8727 19.2608 1474 H 51.7640 38.9108 20.1243 1475 H 50.8278 40.3885 20.1804 1476 H 39.5632 31.7924 22.6838 1477 H 38.7164 33.3944 23.2032 1478 H 41.4997 32.3346 24.2931 1479 H 40.7826 33.8061 24.7732 1480 H 40.8117 34.6911 22.4222 1481 H 41.6008 33.0532 21.8081 1482 H 42.8389 35.0120 23.9382 1483 H 43.6475 33.4813 23.2739 1484 H 43.6389 34.5047 21.0277 1485 H 42.9467 35.9383 21.5478 1486 H 44.8859 36.2647 23.1499 1487 H 45.7081 34.7769 22.4812 1488 H 45.6782 35.6823 20.1891 1489 H 44.9809 37.2277 20.7621 1490 H 47.6656 36.2145 21.8385 1491 H 46.9334 37.7360 22.2191 1492 H 47.8412 36.8856 19.3279 1493 H 47.0890 38.3091 19.7513 1494 H 49.6498 37.5569 21.0524 1495 H 48.7896 39.0984 21.2442 1496 H 49.1728 39.5448 18.8034 1497 H 49.9561 37.9699 18.5907 1498 H 51.5886 39.8830 18.7227 1499 N 41.2967 44.6628 12.7211 1500 C 37.0574 34.2428 21.0878 1501 C 36.8421 35.2592 20.0355 1502 C 38.0254 36.2263 19.7671 1503 C 37.6933 37.1441 18.6614 1504 C 38.8443 38.0692 18.2595 1505 C 38.5089 39.1064 17.1849 1506 C 39.7480 39.9897 16.7852 1507 C 39.5001 41.0068 15.7479 1508 C 40.6318 42.0417 15.3236 1509 C 40.3679 42.8619 14.1350 1510 C 41.4301 43.9609 14.0391 1511 H 40.2560 45.2821 12.7431 1512 H 41.3525 44.1889 11.8843 1513 H 37.3029 34.8160 22.1995 1514 H 37.9143 33.6843 20.9731 1515 H 35.9457 35.8541 20.2424 1516 H 36.6103 34.6772 19.1763 1517 H 38.9287 35.6633 19.4287 1518 H 38.2439 36.7529 20.6044 1519 H 37.4127 36.6195 17.7355 1520 H 36.7701 37.9064 18.8423 1521 H 39.2096 38.6917 19.1505 1522 H 39.7782 37.4361 18.0304 1523 H 38.2174 38.5563 16.2494 1524 H 37.7382 39.7198 17.4474 1525 H 40.0084 40.5648 17.7903 1526 H 40.5807 39.4531 16.5723 1527 H 38.4587 41.5329 15.8742 1528 H 39.2591 40.4491 14.7797 1529 H 40.7425 42.5981 16.2336 1530 H 41.4970 41.4524 15.2977 1531 H 39.2403 43.3628 14.2505 1532 H 40.2736 42.3011 13.2783 1533 H 42.4843 43.4482 13.9720 1534 H 41.5123 44.6754 14.8099 1535 H 41.9581 45.5193 12.7704 1536 N 48.2903 22.4885 14.2254 1537 C 37.3906 28.1093 21.3155 1538 C 38.9949 27.8071 21.2331 1539 C 39.1919 26.9687 19.9489 1540 C 40.8109 26.8041 19.7618 1541 C 41.2419 25.9360 18.6212 1542 C 42.6684 25.6036 18.4965 1543 C 43.1047 24.7768 17.1614 1544 C 44.6090 24.6990 16.9845 1545 C 44.8048 23.7708 15.7852 1546 C 46.3603 23.4894 15.6578 1547 C 46.7812 22.6223 14.5810 1548 H 48.8325 22.3551 15.0191 1549 H 48.6388 23.3546 13.8248 1550 H 36.9689 27.1071 21.5052 1551 H 37.1030 28.5473 20.5496 1552 H 39.3811 27.2994 22.0980 1553 H 39.4528 28.8771 21.0773 1554 H 38.9241 27.4410 19.0788 1555 H 38.7951 25.9703 20.1026 1556 H 41.3228 27.6885 19.8210 1557 H 41.1212 26.2125 20.6502 1558 H 40.6905 24.9133 18.5915 1559 H 40.9177 26.5093 17.6733 1560 H 43.2397 26.5710 18.5314 1561 H 43.0025 25.0336 19.3697 1562 H 42.5450 23.8203 17.1397 1563 H 42.6606 25.3685 16.3098 1564 H 45.0634 24.2638 17.9381 1565 H 45.0623 25.6673 16.9457 1566 H 44.5306 22.7175 15.9751 1567 H 44.3973 24.1537 14.9543 1568 H 46.9909 23.3108 16.6190 1569 H 46.8505 24.6676 15.3563 1570 H 46.2681 22.9410 13.5809 1571 H 46.4684 21.6225 14.7785 1572 H 48.5671 21.8369 13.5417 1573 N 32.1217 43.5428 8.6985 1574 C 33.7753 36.3383 20.6336 1575 C 33.9250 37.5822 19.7501 1576 C 33.4642 37.5246 18.3565 1577 C 33.7205 38.6702 17.5548 1578 C 33.0025 38.7741 16.1524 1579 C 33.3656 39.8413 15.3358 1580 C 32.6483 39.9552 13.9650 1581 C 32.9436 41.2427 13.0973 1582 C 32.3015 41.0457 11.6760 1583 C 32.5178 42.4343 10.8917 1584 C 31.9516 42.2107 9.4666 1585 H 33.1390 43.7258 8.6886 1586 H 31.5056 44.3208 9.0027 1587 H 34.1725 35.4693 20.1716 1588 H 32.6391 36.2740 20.7352 1589 H 35.1622 37.7008 19.6676 1590 H 33.7794 38.4375 20.3452 1591 H 32.2921 37.3597 18.6067 1592 H 33.6587 36.6505 17.8373 1593 H 33.3310 39.6693 18.0913 1594 H 34.7283 38.6952 17.4886 1595 H 33.1789 37.8176 15.6241 1596 H 31.7935 38.7299 16.3620 1597 H 33.1489 40.8457 15.8597 1598 H 34.4452 39.8265 15.1373 1599 H 32.7780 38.9157 13.4312 1600 H 31.5597 39.8747 14.0817 1601 H 33.9809 41.2718 12.9297 1602 H 32.5282 42.0983 13.7094 1603 H 32.6904 40.2726 11.0773 1604 H 31.2437 40.8679 11.8280 1605 H 33.5766 42.6839 10.8134 1606 H 32.0577 43.2164 11.4010 1607 H 30.8798 41.9553 9.4926 1608 H 32.4879 41.4568 8.9398 1609 H 31.8357 43.3814 7.6254 1610 N 50.6357 41.7037 29.5620 1611 C 37.9315 37.0642 25.7157 1612 C 39.3853 36.9147 25.8627 1613 C 40.0965 38.0907 26.4541 1614 C 41.6794 37.9393 26.5594 1615 C 42.4071 38.9756 27.1800 1616 C 43.8705 38.9309 27.0855 1617 C 44.7697 40.0594 27.9410 1618 C 46.2106 39.9287 28.0742 1619 C 46.9482 41.0160 28.6071 1620 C 48.3745 40.7051 28.7694 1621 C 49.0508 41.9932 29.2019 1622 H 51.0827 41.3923 28.6761 1623 H 50.7246 41.2360 30.3924 1624 H 37.6045 38.0441 25.0523 1625 H 37.4299 37.2584 26.7360 1626 H 39.7793 36.8361 24.8312 1627 H 39.6870 35.9878 26.3889 1628 H 39.7734 38.2501 27.4366 1629 H 39.9704 39.0719 25.9345 1630 H 41.8381 36.9315 26.9799 1631 H 42.0264 37.7892 25.4712 1632 H 42.0402 39.9883 26.7545 1633 H 42.0449 39.1450 28.1955 1634 H 44.0962 37.9205 27.7228 1635 H 44.3081 38.8105 26.1179 1636 H 44.4575 40.9470 27.3879 1637 H 44.2953 40.1933 28.9596 1638 H 46.4944 39.5949 27.0816 1639 H 46.3303 38.9838 28.7120 1640 H 46.8401 41.8983 27.9825 1641 H 46.5243 41.3082 29.5608 1642 H 48.8231 40.4195 27.7893 1643 H 48.5373 39.9819 29.4176 1644 H 48.7837 42.4232 30.2132 1645 H 49.0903 42.8058 28.6053 1646 H 51.1272 42.5948 29.8219 1647 N 48.5230 36.9019 43.5113 1648 C 37.2577 35.1049 35.4885 1649 C 38.1998 34.4548 36.4349 1650 C 39.2362 35.6060 36.9784 1651 C 40.3968 34.9804 37.7271 1652 C 41.2727 36.0741 38.3802 1653 C 42.4496 35.4108 39.1551 1654 C 43.3496 36.4925 39.7773 1655 C 44.4301 35.8458 40.7690 1656 C 45.4403 37.0064 41.2658 1657 C 46.4778 36.3146 42.0699 1658 C 47.4555 37.3387 42.6066 1659 H 49.0203 36.0431 43.0936 1660 H 48.0178 36.7343 44.4922 1661 H 37.6000 35.5490 34.7122 1662 H 36.5836 35.8162 36.0844 1663 H 38.9530 33.6093 35.8818 1664 H 37.7982 33.9725 37.2313 1665 H 38.6544 36.3212 37.6846 1666 H 39.6997 36.0569 36.0675 1667 H 39.8870 34.2799 38.6026 1668 H 40.9728 34.1874 37.2433 1669 H 41.7238 36.6008 37.5581 1670 H 40.7771 36.7499 39.0157 1671 H 41.9899 34.8038 39.9882 1672 H 42.9069 34.8436 38.5769 1673 H 43.8480 37.0526 38.9583 1674 H 42.7487 37.1242 40.5029 1675 H 44.9142 35.0358 40.1551 1676 H 44.0323 35.4123 41.5258 1677 H 46.0385 37.3956 40.3395 1678 H 44.9575 37.8958 41.7743 1679 H 46.9435 35.5638 41.7545 1680 H 45.9949 35.9295 43.0772 1681 H 47.0371 38.3459 43.0385 1682 H 48.0119 37.7118 41.7160 1683 H 49.2796 37.6520 43.7397 1684 N 24.3077 37.0327 50.0189 1685 C 31.7321 34.4330 38.5201 1686 C 30.5691 35.0155 39.1725 1687 C 30.5868 34.7687 40.6280 1688 C 29.3379 35.3795 41.3656 1689 C 29.3494 35.2021 42.8944 1690 C 27.9530 35.7669 43.5627 1691 C 27.9003 35.6198 45.0556 1692 C 26.7722 36.3194 45.7341 1693 C 26.7418 35.9165 47.2194 1694 C 25.5194 36.6547 47.9447 1695 C 25.5042 36.2964 49.3817 1696 H 23.3634 36.8871 49.5084 1697 H 24.4675 38.0093 50.2305 1698 H 31.7521 33.2862 38.6778 1699 H 32.6615 34.7352 38.9758 1700 H 29.7049 34.6745 38.7340 1701 H 30.5897 36.1440 39.0063 1702 H 31.3945 35.2031 41.1077 1703 H 30.5665 33.6738 41.0157 1704 H 29.2486 36.3986 41.1224 1705 H 28.4184 35.0268 40.8915 1706 H 29.2708 34.1678 43.0507 1707 H 30.1401 35.6671 43.3204 1708 H 27.9632 36.8166 43.2635 1709 H 27.1211 35.3008 43.0968 1710 H 28.0139 34.5746 45.3172 1711 H 28.9259 35.9518 45.4868 1712 H 25.8671 35.9700 45.1826 1713 H 26.7871 37.3319 45.5904 1714 H 26.5979 34.8568 47.3999 1715 H 27.6245 36.2274 47.6975 1716 H 24.6047 36.5161 47.4859 1717 H 25.6355 37.8224 47.8001 1718 H 26.2678 36.4926 49.9272 1719 H 25.2846 35.2222 49.3986 1720 H 24.1905 36.5825 51.0621 1721 N 44.3512 22.2412 44.1660 1722 C 35.4479 30.7731 37.4106 1723 C 35.6702 29.7046 38.4192 1724 C 37.1775 29.2331 38.5887 1725 C 37.5420 28.0961 39.4747 1726 C 38.9186 27.7814 39.7173 1727 C 39.1389 26.6220 40.7052 1728 C 40.6853 26.1564 40.8259 1729 C 40.8942 25.1262 41.9812 1730 C 42.3042 24.6952 41.9653 1731 C 42.5747 23.5949 43.0365 1732 C 44.0836 23.1483 42.9533 1733 H 43.7266 21.3698 44.1007 1734 H 44.3239 22.7157 45.1789 1735 H 35.7740 30.4813 36.4158 1736 H 36.0290 31.6730 37.6801 1737 H 35.0563 28.7969 38.2621 1738 H 35.4069 30.0658 39.4882 1739 H 37.7827 30.1381 38.7713 1740 H 37.6367 28.9671 37.5504 1741 H 37.0127 28.6094 40.5021 1742 H 36.8483 27.2907 39.3015 1743 H 39.3775 27.5984 38.7397 1744 H 39.4470 28.6528 40.0502 1745 H 38.8453 26.8348 41.7333 1746 H 38.6004 25.7886 40.3460 1747 H 40.9865 25.9545 39.9014 1748 H 41.2629 27.1552 41.0801 1749 H 40.1478 24.3471 41.7198 1750 H 40.5425 25.5285 42.8654 1751 H 42.5249 24.2090 40.9053 1752 H 42.9838 25.5306 41.9824 1753 H 42.0009 22.9043 42.9422 1754 H 42.4336 24.1798 44.0970 1755 H 44.7290 24.0311 43.0471 1756 H 44.1526 22.6492 42.1285 1757 H 45.4504 21.7394 44.0388 1758 N 22.1420 18.2808 45.4059 1759 C 30.0664 26.9225 37.9091 1760 C 29.9195 25.6664 38.6845 1761 C 28.6030 25.5775 39.3002 1762 C 28.3424 24.2529 40.0141 1763 C 27.0576 24.0782 40.6704 1764 C 26.7921 22.6560 41.5083 1765 C 25.4655 22.5041 42.0747 1766 C 25.3306 21.1740 42.7396 1767 C 23.9363 21.0753 43.4951 1768 C 23.7227 19.7056 44.0886 1769 C 22.3932 19.5676 44.8360 1770 H 22.9441 17.9859 46.0559 1771 H 22.0152 17.4820 44.7161 1772 H 29.9771 27.7898 38.6027 1773 H 29.3831 27.0913 37.0718 1774 H 30.7888 25.5408 39.4142 1775 H 30.1076 24.7783 37.9321 1776 H 27.8173 25.4837 38.4730 1777 H 28.3876 26.3595 40.0238 1778 H 28.5839 23.3130 39.3428 1779 H 29.1204 24.1150 40.8857 1780 H 26.7240 24.8815 41.2153 1781 H 26.2312 24.0024 39.9222 1782 H 27.1035 21.7359 40.6882 1783 H 27.6173 22.7203 42.2736 1784 H 25.2654 23.3812 42.7152 1785 H 24.7642 22.5028 41.1884 1786 H 26.0208 21.0049 43.4800 1787 H 25.4079 20.3436 41.9702 1788 H 23.8737 21.7364 44.3162 1789 H 23.1180 21.2169 42.8352 1790 H 24.5174 19.3463 44.7058 1791 H 23.7190 18.9026 43.3433 1792 H 21.6936 19.7302 44.2876 1793 H 22.4267 20.2746 45.7024 1794 H 21.2498 18.3455 46.1251 1795 N 39.5092 14.2021 41.2631 1796 C 35.4169 26.7149 36.8696 1797 C 35.8272 25.3720 36.6127 1798 C 36.1592 24.6287 37.8671 1799 C 36.6425 23.0436 37.5705 1800 C 36.9019 22.3047 38.8247 1801 C 37.3771 20.8445 38.4810 1802 C 37.6387 20.1179 39.7088 1803 C 38.0896 18.5703 39.3890 1804 C 38.4809 17.8620 40.6025 1805 C 38.7724 16.3100 40.2538 1806 C 39.2932 15.5594 41.5675 1807 H 40.0587 13.9937 40.4938 1808 H 38.5743 13.6759 41.2493 1809 H 36.3654 27.3098 37.2110 1810 H 34.6408 26.8541 37.6537 1811 H 36.6131 25.3579 35.8274 1812 H 34.9414 24.9392 36.1568 1813 H 35.4005 24.5796 38.5567 1814 H 37.0392 25.0691 38.3804 1815 H 35.7578 22.5795 37.1139 1816 H 37.4733 23.0523 36.8289 1817 H 37.7831 22.9144 39.2914 1818 H 36.1447 22.3839 39.4540 1819 H 36.5444 20.3402 37.9093 1820 H 38.2409 20.9345 37.8542 1821 H 38.5373 20.4243 40.2374 1822 H 36.8867 20.1180 40.4157 1823 H 38.8082 18.6169 38.6420 1824 H 37.1157 18.0825 38.9907 1825 H 39.5399 18.2612 41.0041 1826 H 37.7633 17.9821 41.5563 1827 H 39.4432 16.2103 39.4947 1828 H 37.6662 15.8960 40.0711 1829 H 38.6924 15.6753 42.4279 1830 H 40.2954 16.0604 41.8050 1831 H 40.0864 13.7051 42.1047 1832 N 48.1164 17.5445 38.5696 1833 C 37.9446 24.1332 31.6972 1834 C 38.4547 23.5168 32.9594 1835 C 39.8365 22.8366 32.6716 1836 C 40.3517 22.3315 34.1120 1837 C 41.7750 21.7233 33.9666 1838 C 42.3390 21.0348 35.2853 1839 C 43.6929 20.4127 35.0469 1840 C 44.2102 19.9458 36.4815 1841 C 45.5285 19.1700 36.2423 1842 C 46.2507 18.8064 37.5973 1843 C 47.4330 18.0222 37.3476 1844 H 47.5298 17.0792 39.3201 1845 H 48.6294 18.3720 39.1634 1846 H 37.6082 23.3082 31.0682 1847 H 38.6496 24.8556 31.1774 1848 H 37.7126 22.8064 33.5568 1849 H 38.5859 24.4064 33.7510 1850 H 40.4669 23.6186 32.3447 1851 H 39.7192 22.0633 31.9956 1852 H 40.4287 23.2073 34.8467 1853 H 39.6947 21.5493 34.5252 1854 H 41.6566 20.9320 33.1905 1855 H 42.4864 22.4946 33.5982 1856 H 42.3279 21.8588 36.0248 1857 H 41.5410 20.3398 35.6242 1858 H 43.5559 19.5354 34.3739 1859 H 44.3658 21.1395 34.6725 1860 H 43.6085 19.3806 37.0364 1861 H 44.4277 20.8991 37.0803 1862 H 45.3430 18.1764 35.7174 1863 H 46.3520 19.8032 35.6892 1864 H 45.4301 18.2603 38.2708 1865 H 46.3667 19.7274 38.1728 1866 H 48.2001 18.5084 36.7767 1867 H 47.1912 16.9991 36.9327 1868 H 48.9575 16.9387 38.4343 1869 N 30.3237 21.1979 48.7472 1870 C 33.8911 23.7000 35.4379 1871 C 33.1780 24.0317 36.5457 1872 C 33.2801 23.0041 37.8102 1873 C 32.5620 23.4283 38.9818 1874 C 32.6758 22.4742 40.3064 1875 C 31.9630 22.8834 41.5303 1876 C 32.0868 21.9050 42.6067 1877 C 31.4973 22.3542 43.9515 1878 C 31.4527 21.3291 45.1485 1879 C 30.8562 21.7778 46.3802 1880 C 30.9083 20.6554 47.2655 1881 H 29.4491 21.6158 48.5660 1882 H 30.9552 21.9430 49.2603 1883 H 33.4280 22.6929 34.9960 1884 H 34.9151 23.4560 35.5282 1885 H 32.0686 24.3164 36.4670 1886 H 33.6850 24.9776 37.0071 1887 H 34.3092 22.8368 37.9380 1888 H 32.8552 21.9830 37.4764 1889 H 32.9841 24.3458 39.4577 1890 H 31.6212 23.5921 38.8208 1891 H 32.5149 21.3876 39.8951 1892 H 33.8047 22.3994 40.4768 1893 H 32.2860 23.8229 41.7792 1894 H 30.8444 22.9789 41.2146 1895 H 31.6450 20.9656 42.3227 1896 H 33.1397 21.7136 42.8396 1897 H 30.3153 22.6340 43.6785 1898 H 32.0268 23.2992 44.2709 1899 H 30.9034 20.3914 44.7399 1900 H 32.5333 20.9567 45.2099 1901 H 29.8563 22.1659 46.1039 1902 H 31.5550 22.6549 46.7069 1903 H 31.9637 20.2743 47.5510 1904 H 30.2501 19.8828 47.1157 1905 H 30.2360 20.3672 49.4076 1906 N 19.4411 44.1669 38.3031 1907 C 25.5646 31.5744 38.0064 1908 C 24.6023 32.6213 37.2535 1909 C 24.4220 33.9268 38.2375 1910 C 23.5382 34.9804 37.6384 1911 C 23.3805 36.2212 38.4054 1912 C 22.4980 37.3553 37.7421 1913 C 22.3242 38.5836 38.5415 1914 C 21.4781 39.5684 37.8160 1915 C 21.2286 40.8383 38.8019 1916 C 20.4521 41.9261 38.0647 1917 C 20.0571 43.1859 38.9482 1918 H 18.5219 43.8855 37.8728 1919 H 20.0196 44.7016 37.6525 1920 H 24.9907 31.2763 38.9042 1921 H 26.3946 32.0271 38.2858 1922 H 23.6715 32.2515 37.1148 1923 H 25.0139 33.0706 36.4011 1924 H 25.4546 34.3186 38.4883 1925 H 23.9321 33.6440 39.1928 1926 H 23.9608 35.2752 36.5346 1927 H 22.5141 34.5674 37.4964 1928 H 22.9982 36.0180 39.4169 1929 H 24.4829 36.6126 38.5902 1930 H 22.7697 37.4063 36.7803 1931 H 21.4793 36.8198 37.6110 1932 H 22.0279 38.3092 39.5980 1933 H 23.2889 38.9933 38.7977 1934 H 20.4915 39.2995 37.6439 1935 H 21.9919 39.8498 36.9599 1936 H 20.7744 40.5257 39.7370 1937 H 22.2411 41.2650 39.1293 1938 H 19.4006 41.6115 37.5868 1939 H 21.0676 42.2891 37.2128 1940 H 21.0223 43.5609 39.4180 1941 H 19.5028 42.7589 39.7348 1942 H 19.1223 45.0051 39.0297 1943 N 21.8097 50.5235 40.5644 1944 C 25.6702 39.0931 33.5696 1945 C 25.7581 39.8215 34.8873 1946 C 24.8619 41.1483 34.7160 1947 C 24.9451 41.9935 35.8310 1948 C 24.1462 43.2771 36.0134 1949 C 24.1800 44.1601 37.0670 1950 C 23.3391 45.4141 37.0721 1951 C 23.3224 46.2221 38.2188 1952 C 22.4714 47.5690 38.1710 1953 C 22.5140 48.4610 39.5513 1954 C 21.8251 49.6436 39.2634 1955 H 22.6627 50.6687 40.9612 1956 H 21.0984 50.0337 41.2531 1957 H 26.1402 39.6197 32.6515 1958 H 24.7506 38.7141 33.2583 1959 H 26.8454 40.1561 35.0387 1960 H 25.3209 39.3916 35.7154 1961 H 23.7960 40.8179 34.6032 1962 H 25.1994 41.7133 33.6958 1963 H 24.7189 41.4635 36.8662 1964 H 25.9831 42.3069 36.1118 1965 H 24.4052 43.8059 35.0123 1966 H 23.0603 43.0404 35.7449 1967 H 23.8717 43.6095 38.0551 1968 H 25.2360 44.5097 37.1973 1969 H 23.4645 46.1415 36.1261 1970 H 22.3104 45.1134 36.9213 1971 H 24.4416 46.5145 38.5159 1972 H 23.0210 45.6083 39.1903 1973 H 22.9691 48.2729 37.3896 1974 H 21.5813 47.3755 37.7787 1975 H 23.5288 48.6082 39.8630 1976 H 22.0906 47.8367 40.2243 1977 H 20.7709 49.6098 38.8171 1978 H 22.4657 50.3941 38.6403 1979 H 21.2387 51.5479 40.4977 1980 N 9.9698 34.7931 40.4734 1981 C 23.1993 33.9394 35.9482 1982 C 21.9298 34.7360 35.9186 1983 C 20.8206 33.9249 36.7947 1984 C 19.5253 34.7005 36.8848 1985 C 18.5435 33.9413 37.7258 1986 C 17.1372 34.7829 37.6805 1987 C 16.2017 33.9848 38.5001 1988 C 14.8532 34.7669 38.7182 1989 C 13.7433 34.0042 39.3691 1990 C 12.4512 34.8073 39.6271 1991 C 11.1935 33.9875 40.1882 1992 H 9.7573 35.2289 39.5983 1993 H 10.2126 35.4632 41.2735 1994 H 23.2323 32.9853 35.4480 1995 H 23.6363 33.6547 36.9142 1996 H 21.6067 34.8710 35.0127 1997 H 22.1561 35.6084 36.5020 1998 H 21.3063 33.7415 37.8764 1999 H 20.6796 32.9449 36.2830 2000 H 19.6716 35.6419 37.2202 2001 H 19.1512 34.7982 35.8743 2002 H 18.3377 32.8432 37.3655 2003 H 18.8306 33.8268 38.7523 2004 H 17.3249 35.7637 38.1197 2005 H 16.7439 34.8980 36.6962 2006 H 15.8883 33.0289 38.1608 2007 H 16.5166 33.9343 39.5706 2008 H 14.4161 35.0387 37.7181 2009 H 14.8945 35.6178 39.1696 2010 H 13.3710 33.0467 38.8554 2011 H 14.0081 33.5804 40.3873 2012 H 12.0992 35.1176 38.6637 2013 H 12.6541 35.7306 40.2899 2014 H 11.7126 33.5369 41.2000 2015 H 10.9878 33.1319 39.6427 2016 H 9.2003 34.0841 40.9064 2017 N 27.1725 53.3571 27.3635 2018 C 30.8989 40.8921 32.3274 2019 C 29.9299 42.0953 32.2848 2020 C 30.3461 43.1348 31.3247 2021 C 29.4800 44.2767 31.2880 2022 C 29.7340 45.4425 30.3927 2023 C 28.7795 46.5965 30.2704 2024 C 29.2123 47.7093 29.4702 2025 C 28.1469 48.7606 29.2617 2026 C 28.5964 50.0709 28.5371 2027 C 27.6177 51.1585 28.3071 2028 C 28.1514 52.2773 27.5259 2029 H 26.6288 53.7158 28.2319 2030 H 26.3767 53.0474 26.6854 2031 H 31.7908 41.1686 32.7880 2032 H 31.0158 40.4195 31.3291 2033 H 29.6622 42.3247 33.2828 2034 H 28.8519 41.5944 31.8510 2035 H 30.5479 42.8259 30.2771 2036 H 31.3587 43.4245 31.7314 2037 H 28.2986 43.9178 30.9665 2038 H 29.2318 44.6268 32.3616 2039 H 30.7455 45.7710 30.6016 2040 H 29.8553 44.9886 29.2869 2041 H 27.8025 46.2801 30.0508 2042 H 28.7863 47.0513 31.3288 2043 H 30.1127 48.1082 29.6601 2044 H 29.4432 47.2655 28.3342 2045 H 27.8933 49.2370 30.2966 2046 H 27.2381 48.4836 28.8719 2047 H 29.5710 50.4315 28.9511 2048 H 28.9952 49.6308 27.4640 2049 H 27.2255 51.3502 29.3046 2050 H 26.8188 50.6470 27.7318 2051 H 28.4764 52.0503 26.5648 2052 H 28.9708 52.7278 28.0948 2053 H 27.4763 54.2291 26.9035 2054 N 13.6389 47.3192 26.1566 2055 C 25.0791 40.2931 30.0034 2056 C 24.2120 40.8199 28.8632 2057 C 23.0104 41.5259 29.3885 2058 C 22.1044 42.0624 28.3450 2059 C 20.8368 42.9575 28.9193 2060 C 20.0162 43.3549 27.6798 2061 C 18.8801 44.1840 28.2405 2062 C 17.9250 44.8207 27.1659 2063 C 16.7062 45.5029 27.6361 2064 C 15.7832 46.1594 26.4466 2065 C 14.5141 46.6172 27.1101 2066 H 13.4670 46.7375 25.2406 2067 H 14.1442 48.3653 25.8004 2068 H 24.4994 39.5767 30.5913 2069 H 25.4586 41.0412 30.6416 2070 H 23.9353 39.9817 28.2276 2071 H 24.7489 41.4333 28.1897 2072 H 23.3439 42.3254 30.0734 2073 H 22.4976 40.9363 30.1191 2074 H 22.6720 42.8003 27.6877 2075 H 21.7038 41.1565 27.7667 2076 H 20.3647 42.2290 29.6053 2077 H 21.2499 43.7351 29.3287 2078 H 20.5393 44.0234 27.0149 2079 H 19.5956 42.4633 27.2140 2080 H 18.1549 43.5084 29.0099 2081 H 19.2018 44.9846 28.9330 2082 H 17.6412 43.9886 26.3841 2083 H 18.5458 45.4524 26.5532 2084 H 16.1535 44.7217 28.2042 2085 H 16.8107 46.2787 28.3739 2086 H 15.5351 45.3602 25.8633 2087 H 16.4470 46.9012 26.1180 2088 H 14.6762 47.4392 27.9262 2089 H 13.9195 45.9506 27.5664 2090 H 12.7581 47.7555 26.4686 2091 N 11.8680 41.5659 39.9437 2092 C 21.8738 36.2045 31.5196 2093 C 20.9483 37.3912 32.0043 2094 C 20.0664 37.0921 33.1326 2095 C 19.0742 38.1475 33.5913 2096 C 18.2867 37.8822 34.7481 2097 C 17.3498 39.0752 35.1421 2098 C 16.3325 38.7977 36.2865 2099 C 15.4655 39.9302 36.7261 2100 C 14.5249 39.5316 37.9196 2101 C 13.7938 40.7187 38.4104 2102 C 12.6576 40.4502 39.3915 2103 H 11.4528 42.1183 39.2264 2104 H 12.4830 42.2746 40.5373 2105 H 21.2471 35.4898 31.2007 2106 H 22.4832 35.8665 32.4932 2107 H 20.3439 37.6966 31.1956 2108 H 21.5597 38.1716 32.2466 2109 H 20.6584 36.8089 34.0402 2110 H 19.4728 36.0925 32.8773 2111 H 19.7054 39.0865 33.7774 2112 H 18.5074 38.4502 32.6992 2113 H 17.6177 36.9413 34.5535 2114 H 18.8427 37.6496 35.6336 2115 H 17.8791 39.9393 35.3700 2116 H 16.5787 39.2459 34.3884 2117 H 15.6945 37.8256 36.1515 2118 H 16.9244 38.4499 37.2919 2119 H 14.8842 40.2268 35.8066 2120 H 16.2177 40.8355 37.0551 2121 H 13.8770 38.8907 37.6029 2122 H 15.0707 39.0447 38.6815 2123 H 13.2150 41.2945 37.5008 2124 H 14.4785 41.6276 38.7857 2125 H 13.2107 39.9349 40.2693 2126 H 11.9940 39.7310 39.0689 2127 H 11.0874 41.2377 40.5896 2128 N 22.6280 50.0261 17.5193 2129 C 24.3563 39.2027 26.3260 2130 C 23.4183 40.2031 25.5716 2131 C 24.2230 41.0686 24.7123 2132 C 23.3616 42.1220 24.1046 2133 C 23.9893 43.0861 22.9923 2134 C 23.1421 44.1875 22.4835 2135 C 23.9192 45.0376 21.4325 2136 C 22.9074 46.0824 20.7910 2137 C 23.6589 46.9526 19.8595 2138 C 22.7405 47.9758 19.0536 2139 C 23.5777 49.0451 18.2801 2140 H 21.8861 50.4331 18.2277 2141 H 22.0480 49.4229 16.8152 2142 H 25.1743 39.7246 26.9487 2143 H 24.8796 38.5114 25.3810 2144 H 22.9726 40.7463 26.4495 2145 H 22.6735 39.6250 25.1114 2146 H 24.7242 40.5283 23.7703 2147 H 25.0993 41.5278 25.2329 2148 H 22.5220 41.6568 23.5476 2149 H 22.9229 42.7067 24.8849 2150 H 24.9387 43.5804 23.4405 2151 H 24.4098 42.3623 22.1593 2152 H 22.2048 43.7448 21.9741 2153 H 22.7952 44.7778 23.2189 2154 H 24.6987 45.5895 21.8291 2155 H 24.3268 44.3578 20.6046 2156 H 22.4340 46.6160 21.5565 2157 H 22.1229 45.5555 20.0835 2158 H 24.3123 47.6453 20.4833 2159 H 24.1986 46.4589 19.1115 2160 H 22.1255 48.4408 19.8050 2161 H 22.0190 47.4791 18.5914 2162 H 24.1331 48.4616 17.5635 2163 H 24.2000 49.6646 18.8810 2164 H 23.2230 50.7312 16.9670 2165 N 28.2271 47.5367 45.5722 2166 C 28.2807 36.3030 37.0779 2167 C 27.7410 37.0280 38.2218 2168 C 28.4318 38.3989 38.5209 2169 C 27.9545 39.0267 39.8234 2170 C 28.5234 40.5611 39.8730 2171 C 28.0068 41.1757 41.1921 2172 C 28.6052 42.6109 41.2536 2173 C 28.0364 43.2743 42.6546 2174 C 28.6240 44.7097 42.9402 2175 C 28.0774 45.3807 44.0994 2176 C 28.7860 46.6742 44.3765 2177 H 28.2405 46.9893 46.4610 2178 H 27.1821 47.8372 45.2741 2179 H 29.4110 36.1626 36.9903 2180 H 28.0363 36.7908 36.0472 2181 H 28.0626 36.3921 39.1456 2182 H 26.6197 37.0192 38.2987 2183 H 28.1102 39.0344 37.6529 2184 H 29.5021 38.3258 38.4170 2185 H 26.7552 39.0873 39.8525 2186 H 28.2972 38.5505 40.5977 2187 H 29.6161 40.5106 39.9097 2188 H 28.0823 41.1660 39.1400 2189 H 26.9093 41.1604 41.3675 2190 H 28.3862 40.4907 42.1768 2191 H 29.6025 42.6158 41.4388 2192 H 28.1800 43.1476 40.5228 2193 H 28.1403 42.6375 43.5467 2194 H 26.9062 43.3099 42.6903 2195 H 29.7404 44.6286 42.9895 2196 H 28.4519 45.3054 41.9727 2197 H 28.0867 44.8332 44.9668 2198 H 26.8951 45.6493 43.9230 2199 H 28.6929 47.2970 43.5659 2200 H 29.7806 46.5570 44.6353 2201 H 28.7972 48.3538 45.6210 2202 N 28.7560 26.6282 52.4913 2203 C 28.9511 30.2430 39.0153 2204 C 29.6186 30.1087 40.3225 2205 C 28.7545 29.5976 41.5306 2206 C 29.4109 29.3584 42.6255 2207 C 28.5990 28.8744 43.8701 2208 C 29.2875 28.6211 45.2266 2209 C 28.5113 28.1664 46.3609 2210 C 29.1098 27.9933 47.6320 2211 C 28.2323 27.5490 48.7928 2212 C 29.0539 27.1979 50.0805 2213 C 28.0765 26.9361 51.3420 2214 H 29.4421 27.3321 52.7681 2215 H 29.4027 25.7301 52.3870 2216 H 28.2453 31.0166 39.0836 2217 H 28.4141 29.2451 38.6795 2218 H 30.1580 31.0271 40.5112 2219 H 30.5551 29.2446 40.1532 2220 H 28.3152 28.5580 41.1727 2221 H 27.7985 30.2371 41.4879 2222 H 30.2691 28.6640 42.6270 2223 H 29.9648 30.3473 43.0087 2224 H 27.7411 29.5383 44.0381 2225 H 28.2090 27.8759 43.5408 2226 H 30.1613 28.0305 45.0634 2227 H 29.7444 29.7441 45.4925 2228 H 27.6053 28.9084 46.4832 2229 H 27.9244 27.1581 45.9882 2230 H 29.7719 28.8493 47.9085 2231 H 29.9717 27.2079 47.4518 2232 H 27.6090 28.4681 48.9423 2233 H 27.6156 26.7743 48.5169 2234 H 29.5896 28.0324 50.3530 2235 H 29.6273 26.3674 49.9397 2236 H 27.4712 26.1414 51.0860 2237 H 27.5472 27.9493 51.5084 2238 H 28.0139 26.5333 53.3809 2239 N 24.4810 8.1432 32.8722 2240 C 26.7942 20.8795 27.4958 2241 C 27.0111 19.6977 28.5252 2242 C 26.1838 18.4896 28.2992 2243 C 26.6543 17.4930 29.3204 2244 C 25.7131 16.1192 29.2596 2245 C 26.0560 15.1249 30.2886 2246 C 25.3333 13.7666 30.0493 2247 C 25.5536 12.6314 31.0392 2248 C 24.5786 11.4625 31.0216 2249 C 25.1025 10.3336 31.9688 2250 C 24.0988 9.1938 31.9679 2251 H 24.7024 8.2532 33.7035 2252 H 25.3640 7.6129 32.5393 2253 H 25.7581 21.2382 27.6719 2254 H 26.8172 20.5272 26.3416 2255 H 27.1152 20.2283 29.5078 2256 H 28.2655 19.3860 28.2926 2257 H 26.2927 17.9764 27.2706 2258 H 25.1173 18.8526 28.5290 2259 H 27.6468 17.1750 29.2508 2260 H 26.5196 17.8167 30.3891 2261 H 24.6244 16.4630 29.2821 2262 H 25.8878 15.6723 28.1620 2263 H 27.1372 14.8188 30.1797 2264 H 25.9330 15.4791 31.2720 2265 H 24.1903 14.1518 30.3523 2266 H 25.2581 13.4948 29.0549 2267 H 25.5499 12.9969 32.2255 2268 H 26.5613 12.3705 30.8521 2269 H 23.6480 11.8175 31.2913 2270 H 24.5700 11.0701 29.9886 2271 H 25.1175 10.6550 33.0167 2272 H 25.9564 9.9027 31.6410 2273 H 23.8540 8.9308 31.0638 2274 H 23.0475 9.5907 32.4321 2275 H 23.6937 7.2497 32.8721 2276 N 14.5780 29.3232 10.6414 2277 C 25.9122 29.8800 18.8349 2278 C 24.6352 30.4641 18.4250 2279 C 23.8683 29.6723 17.2579 2280 C 22.6073 30.2770 16.8808 2281 C 21.8899 29.5903 15.7444 2282 C 20.6403 30.1257 15.3461 2283 C 19.8637 29.2086 14.1274 2284 C 18.5703 29.7605 13.7310 2285 C 18.0122 29.0910 12.5563 2286 C 16.5041 29.6523 12.1634 2287 C 16.0748 28.9856 10.9954 2288 H 14.5516 30.4387 10.5121 2289 H 13.8481 29.0702 11.3058 2290 H 26.6903 29.9696 17.9299 2291 H 25.7919 28.8362 19.1353 2292 H 24.7966 31.5225 18.0156 2293 H 23.8531 30.5950 19.2429 2294 H 23.7421 28.6634 17.6425 2295 H 24.6122 29.5325 16.5081 2296 H 21.9309 30.4373 17.7012 2297 H 23.0052 31.2565 16.4127 2298 H 22.5817 29.2762 14.8343 2299 H 21.6577 28.4637 16.0599 2300 H 20.0082 30.2804 16.0991 2301 H 20.8356 31.0820 14.8165 2302 H 20.5089 29.1323 13.2382 2303 H 19.7098 28.1381 14.6241 2304 H 18.6656 30.9625 13.4909 2305 H 17.8149 29.8005 14.7212 2306 H 18.6783 29.1392 11.7020 2307 H 17.8254 28.0335 12.7941 2308 H 16.4781 30.6255 12.0063 2309 H 15.7936 29.4719 13.0051 2310 H 15.8762 27.8456 11.1523 2311 H 16.5992 29.1186 10.1163 2312 H 14.3335 28.8618 9.7039 2313 N 10.1446 24.6758 16.6862 2314 C 20.2694 30.0795 24.8265 2315 C 19.5689 29.8692 23.6031 2316 C 18.3335 29.0042 23.4725 2317 C 17.7409 28.7917 22.1362 2318 C 16.4290 27.8366 22.1474 2319 C 15.9322 27.9326 20.7638 2320 C 14.6836 26.8839 20.7500 2321 C 13.9126 26.8289 19.3931 2322 C 12.7826 25.7749 19.2995 2323 C 12.0899 25.7452 17.9713 2324 C 11.1141 24.7382 17.9836 2325 H 10.8335 24.6592 15.8379 2326 H 9.6925 25.4694 16.5006 2327 H 20.7115 29.0432 25.1404 2328 H 19.4192 30.2811 25.6281 2329 H 20.3573 29.6813 22.7832 2330 H 19.1754 31.0134 23.3320 2331 H 17.6555 29.2371 24.2783 2332 H 18.7511 27.9452 23.8488 2333 H 17.3845 29.9110 21.7530 2334 H 18.4629 28.5164 21.4617 2335 H 16.8249 27.0042 22.5668 2336 H 15.7883 28.3547 22.8776 2337 H 15.5513 28.8479 20.4383 2338 H 16.5846 27.4536 20.0414 2339 H 14.8975 25.9175 21.0199 2340 H 14.0030 27.1150 21.4637 2341 H 14.6732 26.6582 18.5967 2342 H 13.5350 27.7609 19.0709 2343 H 13.2578 24.7067 19.4434 2344 H 12.1276 25.8996 20.2126 2345 H 12.8146 25.6147 17.0851 2346 H 11.4364 26.7346 17.8824 2347 H 10.2695 24.7727 18.6607 2348 H 11.5349 23.6627 17.9566 2349 H 9.5531 23.8032 16.5364 2350 N 16.5296 18.8357 42.8649 2351 C 27.6434 23.3353 35.4955 2352 C 26.7816 23.3273 36.9571 2353 C 25.5961 22.5080 36.7890 2354 C 24.6670 22.4649 38.0343 2355 C 23.4500 21.5033 37.9573 2356 C 22.7050 21.4840 39.2814 2357 C 21.3775 20.5749 39.2413 2358 C 20.6406 20.6976 40.5120 2359 C 19.4287 19.8309 40.3606 2360 C 18.5759 19.7761 41.6529 2361 C 17.2122 18.9519 41.4102 2362 H 16.3004 19.6583 43.2629 2363 H 17.0467 18.1860 43.5862 2364 H 26.9679 23.7880 34.7747 2365 H 27.8603 22.4404 35.3303 2366 H 26.4403 24.2912 37.0831 2367 H 27.4179 23.0014 37.6888 2368 H 25.9110 21.3737 36.4567 2369 H 24.9430 22.6212 35.9094 2370 H 25.2797 22.2037 38.9604 2371 H 24.3084 23.5455 38.1809 2372 H 22.9722 21.7447 37.0371 2373 H 23.8830 20.4632 37.7788 2374 H 23.2217 21.3584 40.1747 2375 H 22.1718 22.6260 39.3915 2376 H 20.7813 20.9851 38.3303 2377 H 21.7661 19.6466 38.9762 2378 H 20.3199 21.6969 40.7172 2379 H 21.1985 20.2239 41.3658 2380 H 18.5130 20.2566 39.5905 2381 H 19.4923 18.7994 40.0473 2382 H 18.3867 20.5940 42.1489 2383 H 19.1425 19.2412 42.4864 2384 H 17.3557 17.9810 41.1145 2385 H 16.4652 19.5558 40.7911 2386 H 15.4989 18.3419 42.6586 2387 N 8.1027 32.6963 29.9647 2388 C 21.1341 29.3912 34.0586 2389 C 19.9551 30.3748 34.0485 2390 C 18.7856 29.8520 33.1415 2391 C 17.6393 30.8769 33.2165 2392 C 16.4829 30.2915 32.3360 2393 C 15.2075 31.3269 32.3652 2394 C 14.0833 30.7974 31.5584 2395 C 12.8648 31.6608 31.7630 2396 C 11.6812 31.2680 30.7201 2397 C 10.4426 32.2272 30.9375 2398 C 9.4170 31.8869 29.8810 2399 H 8.2874 33.7955 29.9193 2400 H 7.6354 32.4483 30.9877 2401 H 21.5381 29.3029 32.9500 2402 H 20.9019 28.4440 34.1732 2403 H 20.3200 31.4642 33.7514 2404 H 19.5489 30.3519 35.0940 2405 H 18.5200 28.8198 33.5270 2406 H 19.1108 29.6892 32.1631 2407 H 17.1706 30.9206 34.4040 2408 H 17.9227 31.7565 32.8589 2409 H 16.7493 30.1944 31.3454 2410 H 16.0380 29.4340 32.7297 2411 H 14.9654 31.4402 33.4954 2412 H 15.5660 32.3114 31.9678 2413 H 14.3005 30.7858 30.4751 2414 H 13.7146 29.7947 31.9121 2415 H 13.1025 32.7987 31.4429 2416 H 12.3647 31.6920 32.7150 2417 H 12.0154 31.4923 29.7172 2418 H 11.4697 30.3992 30.8697 2419 H 10.7325 33.2702 30.9146 2420 H 10.1358 32.0992 31.9246 2421 H 9.1547 30.8069 29.8897 2422 H 9.7683 32.0808 28.8445 2423 H 7.3767 32.3664 29.2705 .----------------------------------------------------------------------------------------------------------------------------------------------------. /| | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | H H | / | HH H N H H | / | H N H H N | / | C H C H H | / | HHH H H C H CH | / | HHHC N H H C | / | C HH H C H | / | H HH HH CHH H C H H H H C H | / | N H HH CH H H N H C H | / | C HH HC H H H | / | H HC HH H H H H C C C H C HH C H H N | / | H N C H H HC H H H HHC H C H HH CH H | / | H H NHH H C H H HCC H H H C H H | * | H C H HHC HH H CC H H HHH CHH CC C HH CH H H C HH C H H | | | H C H C H H H H C H H HH C H C H CH H H H | | | H N H H H C H CCH H C HHC H H HH CH H C C | | | H C H C H H C HC H H H H HHHCCHHH C H C H CH HC H H H H | | | HN H C C H HH H CH H CHC CC HH H H H C H H H H H H C HH C H H HN H | | | H C H HH CHHC HH H H C C HH HHH CCHH HC HC H H H H CN HH H C HC | | | H C H HN H H HNCHCC HH H HH H HH CH H HS HHHC HH H CHHCHHCC HC H H C H | | | H H C H H C C CCHCCH HCHH S HACSHH CCC HH HC HCH CCH HHNHH HH H H HC C H | | | HH HHC H H H HH C H CCH HHCHSHHCH HH CS HACH C H CH HH H C CH H H | | | H N CHHH C H H HCHHH H H S CuCHH HC H AHS HH H C SH H HHHC H HHH C CHH | | | C CH C CHHH HHC CHH SH HH HCCC AC H Au HAu HH H C C HH HC CCH H H H H H | | | H H H CCHHHC HHHCHH CC HHAuH C H CAuHAuHHCAuH AuHHHH HH HH C CH HH C H H C HH C HN H | | | HH HCNHC CCC CHCCC S AuC H H CHHAu CCCCAuH S H C H CH H C C H H C N | | | H H H CHHHCC HCC HH H SCHHAu H SHAuH C AuHu CC HuC CSu CHH H H HC C HH H CH HCC HH | | | H H CH CCH H HHHH C H AuH S AAu AuCAuCSAuHHuCNH HH HH CHH HHHH H HC HHC C H | | | H H C H CHCH H C H C HHCHH H Hu AC Au Au Au AC H Au H CAuSC HH C HHHC H N H H CHH H | | | N HC H H HH H CH H Au HHu AuH Auu H AAuAu H AuH CH CHHC CC HCCCC CHC NH | | |H HH C H H HH H HCCHHHHH HHH H SCH H AuSCHCAuAAu Au S AuAu H AuH HHHCHuSC C H CHH C HH H | | | N H C CH HCC C H Hu H AuHAuCAH H Au Au C AuuH C H C HHHHH C H H H H | | H C HC H C HCH HHCCHHHC C H CHHSuHH H HHCH HAu Au SAu C HAC HHC HC C H | | | H H H H H HH H HHHCHCHuH C CAu CCAu AAu SAuCAuH HuAuH Su HHH | | | H C HHHC H CHCHAH CAHuC N SuuAu Au AuHH H H S | | | H H N H C H C H CHHH H AAuHHC H Au Au HAHHCACHNAH H H H H H | | H | H H H CH HHC HSS AuS H C Au HAu AHHHCCCCCHCHHu C S H CH H H H | | | C CH C C H CH H H Au AuH Au Huu C HH H CC C HCH H CHH C H CH CH H | | H HC | H C H H H H H H HAHH H AuH HCHHAu S AAu HHHHH H H C C C H HCH HC C N | | NH |C H H C CHH H C C HCAHH HH CAu H S AuH SHH C HCHH HHHHH H CH C H H H H | | H | H H HH HHCC CH HSSHHHHH CSACAH HAuAu Au Au HCS AC C CCHHCCH HC HC HHN H C C H HH | | | H HHCH N H CHCH HHHHCCuC HH HAAuHHAuC Au C H CHH C H CHHC CHC CH HH H H C N | | | CHC HH HHHHHHHHHCC HSH S SS HH Au HH H HHH H H H C H C H H H | | | H C H C H H H HCCNH HHHAu HH C HC SH HH C C H H N H | | | HC H HH HH C C C H HH S HCHH S C AuS H CHH H H | | | H HH H H H H H H H CHHHC H H H HH C C H CC H H C HH | | | C HC C HC H H H C H C CC CHHHHHHHCHHH H H | | | H H H H HCC H H CHHC H H H C H HH C H CC H C HH | | | H HC H H C C HN H HH C HC H HHC HC H C HH C C HHH C H H C | | .----CH---H----C-C----H--H------CHCH----H--HH--CH-----H---C--H-HCHHC-N---C-HH-----------HH-----------------------------------------------------------. | / HN H H H H H HH C H H C H H H C HH H H C HHC C / | / H H N C C HCC H H CH HHC H N H CH CH H H H / | / H H H H H HH H C CH H H H HC HHC CH H C C H / | / C HH C C H CHCHC H H C H / | / H H HH H H H C H C H H C H C H C H / | / N HC H C H H C H H H H H CH H H HH N H / | / H H CH H H CC H H H CH HC C H H / | / HN C H HC H CH / | / H H H H C H H H C H H C HH H HN / | / H N H H H CH HC H H / | / H CH HN / | / N H HC H H CH H H / | / H H HC H / | / H NH / | / H NH / | / H H / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / |/ / *----------------------------------------------------------------------------------------------------------------------------------------------------* Unit Cell: Periodic X Y Z Points Spacing -------------------------------------------------------------------- 1. axis: no 60.712367 0.000000 0.000000 288 0.2108 2. axis: no 0.000000 60.284785 0.000000 288 0.2093 3. axis: no 0.000000 0.000000 59.380866 288 0.2062 Au-setup: name : Gold id : a44207148b704df7bec07bf25e8feca8 Z : 79 valence: 11 core : 68 charge : 0.0 file : /home/camp/askhl/src/setups-gpaw/gpaw-setups-0.9.9672/Au.LDA.gz cutoffs: 1.32(comp), 2.33(filt), 2.81(core), lmax=2 valence states: energy radius 6s(1) -6.048 1.323 6p(0) -0.888 1.323 5d(10) -7.129 1.323 *s 21.163 1.323 *p 26.323 1.323 *d 20.082 1.323 LCAO basis set for Au: Name: dzp Basis set was loaded from file /home/camp/askhl/src/setups-gpaw/gpaw-setups-0.9.9672/Au.dzp.basis.gz Number of radial functions: 5 Number of spherical harmonics: 15 l=0, rc=8.5938 Bohr: 6s-sz confined orbital l=2, rc=5.9219 Bohr: 5d-sz confined orbital l=0, rc=4.9844 Bohr: 6s-dz split-valence wave l=2, rc=3.5156 Bohr: 5d-dz split-valence wave l=1, rc=8.5938 Bohr: p-type Gaussian polarization S-setup: name : Sulfur id : a5eb49d7597a2879c13719b04c71318f Z : 16 valence: 6 core : 10 charge : 0.0 file : /home/camp/askhl/src/setups-gpaw/gpaw-setups-0.9.9672/S.LDA.gz cutoffs: 0.76(comp), 1.77(filt), 1.66(core), lmax=2 valence states: energy radius 3s(2) -17.278 0.974 3p(4) -7.106 0.979 *s 9.933 0.974 *p 20.105 0.979 *d 0.000 0.900 LCAO basis set for S: Name: dzp Basis set was loaded from file /home/camp/askhl/src/setups-gpaw/gpaw-setups-0.9.9672/S.dzp.basis.gz Number of radial functions: 5 Number of spherical harmonics: 13 l=0, rc=5.5156 Bohr: 3s-sz confined orbital l=1, rc=6.9375 Bohr: 3p-sz confined orbital l=0, rc=3.0469 Bohr: 3s-dz split-valence wave l=1, rc=3.9375 Bohr: 3p-dz split-valence wave l=2, rc=6.9375 Bohr: d-type Gaussian polarization N-setup: name : Nitrogen id : c467cdfa1b75f62c8f7a0469921b1cfb Z : 7 valence: 5 core : 2 charge : 0.0 file : /home/camp/askhl/src/setups-gpaw/gpaw-setups-0.9.9672/N.LDA.gz cutoffs: 0.58(comp), 1.11(filt), 0.96(core), lmax=2 valence states: energy radius 2s(2) -18.420 0.603 2p(3) -7.237 0.529 *s 8.791 0.603 *p 19.974 0.529 *d 0.000 0.577 LCAO basis set for N: Name: dzp Basis set was loaded from file /home/camp/askhl/src/setups-gpaw/gpaw-setups-0.9.9672/N.dzp.basis.gz Number of radial functions: 5 Number of spherical harmonics: 13 l=0, rc=4.8594 Bohr: 2s-sz confined orbital l=1, rc=6.0625 Bohr: 2p-sz confined orbital l=0, rc=2.6094 Bohr: 2s-dz split-valence wave l=1, rc=3.2656 Bohr: 2p-dz split-valence wave l=2, rc=6.0625 Bohr: d-type Gaussian polarization C-setup: name : Carbon id : d60576a1f549371a163e72552ca58787 Z : 6 valence: 4 core : 2 charge : 0.0 file : /home/camp/askhl/src/setups-gpaw/gpaw-setups-0.9.9672/C.LDA.gz cutoffs: 0.64(comp), 1.14(filt), 1.14(core), lmax=2 valence states: energy radius 2s(2) -13.639 0.635 2p(2) -5.414 0.635 *s 13.573 0.635 *p 21.797 0.635 *d 0.000 0.635 LCAO basis set for C: Name: sz(dzp) Basis set was loaded from file /home/camp/askhl/src/setups-gpaw/gpaw-setups-0.9.9672/C.dzp.basis.gz Number of radial functions: 2 Number of spherical harmonics: 4 l=0, rc=5.5469 Bohr: 2s-sz confined orbital l=1, rc=6.6719 Bohr: 2p-sz confined orbital H-setup: name : Hydrogen id : 4766778ce56282eaa64abeb28b7c1de3 Z : 1 valence: 1 core : 0 charge : 0.0 file : /home/camp/askhl/src/setups-gpaw/gpaw-setups-0.9.9672/H.LDA.gz cutoffs: 0.48(comp), 0.85(filt), 0.53(core), lmax=2 valence states: energy radius 1s(1) -6.353 0.476 *s 20.858 0.476 *p 0.000 0.476 LCAO basis set for H: Name: sz(dzp) Basis set was loaded from file /home/camp/askhl/src/setups-gpaw/gpaw-setups-0.9.9672/H.dzp.basis.gz Number of radial functions: 1 Number of spherical harmonics: 1 l=0, rc=6.4219 Bohr: 1s-sz confined orbital Using the LDA Exchange-Correlation Functional. Spin-Paired Calculation Total Charge: 0.000000 Fermi Temperature: 0.010000 Wave functions: LCAO Diagonalizer: BLACS 16 x 2 grid with 64 x 64 blocksize Atomic Hamiltonian: block-sparse by atoms Eigensolver: LCAO using direct dense diagonalizer XC and Coulomb potentials evaluated on a 576*576*576 grid Interpolation: tri-quintic (5. degree polynomial) Poisson solver: Gauss-Seidel solver with 7 multi-grid levels Stencil: 6*3+1=19 point O(h^6) finite-difference Laplacian Reference Energy: -75777511.938873 Total number of cores used: 32 Domain Decomposition: 4 x 2 x 2 Parallelization over states: 2 Symmetries present (total): 1 ( 1 0 0) ( 0 1 0) ( 0 0 1) 1 k-point (Gamma) 1 k-point in the Irreducible Part of the Brillouin Zone k-points in crystal coordinates weights 0: 0.00000000 0.00000000 0.00000000 1/1 Mixer Type: Mixer Linear Mixing Parameter: 0.03 Mixing with 7 Old Densities Damping of Long Wave Oscillations: 50 Convergence Criteria: Total Energy Change: 0.0005 eV / electron Integral of Absolute Density Change: 0.0001 electrons Integral of Absolute Eigenstate Change: 4e-08 eV^2 Number of Atoms: 2424 Number of Atomic Orbitals: 7860 Adjusting Number of Bands by +1 to Match Parallelization Number of Bands in Calculation: 3336 Bands to Converge: Occupied States Only Number of Valence Electrons: 6384 log10-error: Total Iterations: Time WFS Density Energy Fermi Poisson iter: 1 23:30:01 -14511.450508 2 9 iter: 2 23:31:52 -0.76 -11520.402472 977 8 iter: 3 23:33:31 -1.10 -11463.766614 62 6 iter: 4 23:34:54 -1.12 -11451.820989 9 4 iter: 5 23:36:27 -1.13 -11444.207165 11 4 iter: 6 23:37:52 -1.14 -11428.744519 14 5 iter: 7 23:39:12 -1.15 -11408.735952 11 5 iter: 8 23:40:28 -1.18 -11396.023220 12 5 iter: 9 23:41:52 -1.20 -11390.713518 6 4 iter: 10 23:43:09 -1.21 -11383.814596 8 5 iter: 11 23:44:26 -1.22 -11355.573198 33 6 iter: 12 23:45:43 -1.31 -11345.291798 21 5 iter: 13 23:47:07 -1.37 -11343.437947 5 4 iter: 14 23:48:24 -1.37 -11337.097159 16 5 iter: 15 23:49:40 -1.43 -11334.242216 8 5 iter: 16 23:51:00 -1.47 -11334.070095 16 5 iter: 17 23:52:18 -1.54 -11334.375537 9 5 iter: 18 23:53:32 -1.59 -11334.032105 4 4 iter: 19 23:54:54 -1.60 -11335.786737 7 5 iter: 20 23:56:10 -1.63 -11336.327682 5 5 iter: 21 23:57:24 -1.64 -11334.767535 3 4 iter: 22 23:58:36 -1.67 -11334.569974 4 4 iter: 23 23:59:57 -1.65 -11335.151469 5 5 iter: 24 00:01:10 -1.68 -11335.427224 3 5 iter: 25 00:02:30 -1.70 -11334.832244 2 4 iter: 26 00:03:45 -1.71 -11334.358412 4 4 iter: 27 00:05:03 -1.70 -11333.957514 3 4 iter: 28 00:06:16 -1.71 -11334.279889 4 4 iter: 29 00:07:28 -1.74 -11333.335174 3 4 iter: 30 00:08:39 -1.75 -11333.037560 4 3 iter: 31 00:10:01 -1.74 -11332.629873 3 4 iter: 32 00:11:17 -1.77 -11332.459982 3 4 iter: 33 00:12:33 -1.77 -11332.293099 3 3 iter: 34 00:13:43 -1.77 -11332.089090 3 3 iter: 35 00:15:04 -1.78 -11331.946347 3 4 iter: 36 00:16:18 -1.79 -11331.726558 4 4 iter: 37 00:17:32 -1.80 -11331.738621 2 3 iter: 38 00:18:46 -1.79 -11331.502050 3 3 iter: 39 00:19:58 -1.81 -11331.289893 3 3 iter: 40 00:21:14 -1.83 -11331.140996 4 4 iter: 41 00:22:23 -1.83 -11331.207337 3 3 iter: 42 00:23:40 -1.82 -11331.130490 3 3 iter: 43 00:24:51 -1.83 -11330.847247 3 4 iter: 44 00:26:06 -1.85 -11330.833136 3 4 iter: 45 00:27:17 -1.85 -11330.933256 3 3 iter: 46 00:28:29 -1.84 -11330.702195 3 3 iter: 47 00:29:39 -1.85 -11330.568971 2 3 iter: 48 00:30:56 -1.87 -11330.465924 3 4 iter: 49 00:32:05 -1.88 -11330.628902 3 3 iter: 50 00:33:18 -1.85 -11330.542898 3 3 iter: 51 00:34:32 -1.87 -11330.289306 3 3 iter: 52 00:35:51 -1.91 -11330.266270 3 4 iter: 53 00:36:57 -1.90 -11330.217135 3 3 iter: 54 00:38:09 -1.91 -11330.261599 3 3 iter: 55 00:39:22 -1.90 -11330.195033 2 3 iter: 56 00:40:33 -1.91 -11330.092483 3 4 iter: 57 00:41:48 -1.93 -11330.152479 2 3 iter: 58 00:43:04 -1.91 -11330.088721 3 3 iter: 59 00:44:15 -1.92 -11329.939189 2 3 iter: 60 00:45:26 -1.96 -11329.999025 3 4 iter: 61 00:46:38 -1.95 -11329.949484 2 3 iter: 62 00:47:52 -1.95 -11329.945211 3 3 iter: 63 00:49:02 -1.95 -11329.945361 2 3 iter: 64 00:50:13 -1.95 -11329.859950 3 4 iter: 65 00:51:25 -1.98 -11329.903951 3 3 iter: 66 00:52:38 -1.95 -11329.883578 2 3 iter: 67 00:53:51 -1.96 -11329.806276 2 3 iter: 68 00:55:16 -1.99 -11329.797815 3 4 iter: 69 00:56:26 -2.00 -11329.775123 3 3 iter: 70 00:57:36 -2.00 -11329.801582 2 3 iter: 71 00:58:45 -1.98 -11329.883369 3 3 iter: 72 01:00:08 -1.97 -11329.774002 3 4 iter: 73 01:01:23 -2.00 -11329.696429 2 3 iter: 74 01:02:32 -2.04 -11329.744664 3 3 iter: 75 01:03:46 -2.01 -11329.688095 2 3 iter: 76 01:05:04 -2.03 -11329.688072 2 4 iter: 77 01:06:22 -2.03 -11329.668344 2 3 iter: 78 01:07:38 -2.04 -11329.674078 2 3