1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011
|
global_
_lib_name ?
_lib_version ?
_lib_update ?
# ------------------------------------------------
#
# --- LIST OF MONOMERS ---
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
PL1 PL1 'COBALT (III)-DEGLYCOPEPLEOMYCIN ' non-polymer 148 80 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PL1
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
PL1 O49 O O 0.000 0.000 0.000 0.000
PL1 C49 C C 0.000 -0.717 0.329 0.926
PL1 NP N NH1 0.000 -0.424 -0.070 2.179
PL1 HNP H H 0.000 -1.020 0.203 2.948
PL1 C51 C CH2 0.000 0.756 -0.900 2.426
PL1 H6E H H 0.000 1.651 -0.364 2.103
PL1 H6X H H 0.000 0.669 -1.832 1.865
PL1 C52 C CH2 0.000 0.858 -1.211 3.922
PL1 H7E H H 0.000 -0.038 -1.746 4.243
PL1 H7X H H 0.000 0.944 -0.278 4.482
PL1 C53 C CH2 0.000 2.091 -2.078 4.179
PL1 H8E H H 0.000 2.987 -1.542 3.856
PL1 H8X H H 0.000 2.004 -3.010 3.617
PL1 NQ N NH1 0.000 2.188 -2.377 5.615
PL1 HNQ H H 0.000 1.554 -2.071 6.338
PL1 C54 C CH1 0.000 3.387 -3.207 5.793
PL1 H54 H H 0.000 3.507 -3.868 4.923
PL1 CE C CH3 0.000 4.617 -2.307 5.924
PL1 HEC H H 0.000 5.482 -2.905 6.053
PL1 HEB H H 0.000 4.723 -1.720 5.047
PL1 HEA H H 0.000 4.502 -1.669 6.762
PL1 C56 C CR6 0.000 3.240 -4.040 7.040
PL1 C61 C CR16 0.000 2.679 -3.490 8.177
PL1 H61 H H 0.000 2.349 -2.458 8.173
PL1 C60 C CR16 0.000 2.539 -4.255 9.320
PL1 H60 H H 0.000 2.093 -3.826 10.208
PL1 C59 C CR16 0.000 2.970 -5.570 9.327
PL1 H59 H H 0.000 2.864 -6.169 10.223
PL1 C58 C CR16 0.000 3.536 -6.118 8.192
PL1 H58 H H 0.000 3.873 -7.147 8.199
PL1 C57 C CR16 0.000 3.671 -5.354 7.049
PL1 H57 H H 0.000 4.115 -5.784 6.159
PL1 C48 C CR5 0.000 -1.905 1.164 0.677
PL1 NO N NRD5 0.000 -2.690 1.531 1.680
PL1 C46 C CR5 0.000 -3.755 2.275 1.444
PL1 S46 S S2 0.000 -3.657 2.497 -0.324
PL1 C47 C CR15 0.000 -2.211 1.575 -0.596
PL1 H47 H H 0.000 -1.689 1.377 -1.524
PL1 C45 C CR5 0.000 -4.761 2.793 2.396
PL1 NN N NRD5 0.000 -5.779 3.534 1.980
PL1 C43 C CR5 0.000 -6.671 4.001 2.817
PL1 S43 S S2 0.000 -6.117 3.384 4.341
PL1 C44 C CR15 0.000 -4.676 2.518 3.736
PL1 H44 H H 0.000 -3.939 1.938 4.278
PL1 C42 C CH2 0.000 -7.879 4.855 2.527
PL1 H2E H H 0.000 -7.678 5.487 1.660
PL1 H2X H H 0.000 -8.095 5.485 3.393
PL1 C41 C CH2 0.000 -9.082 3.955 2.237
PL1 H1E H H 0.000 -9.280 3.322 3.105
PL1 H1X H H 0.000 -8.864 3.325 1.372
PL1 NM N NH1 0.000 -10.257 4.784 1.957
PL1 HNM H H 0.000 -10.180 5.791 1.977
PL1 C40 C C 0.000 -11.439 4.204 1.672
PL1 O40 O O 0.000 -11.513 2.998 1.568
PL1 C37 C CH1 0.000 -12.669 5.054 1.482
PL1 H37 H H 0.000 -12.404 5.965 0.927
PL1 C38 C CH1 0.000 -13.239 5.439 2.848
PL1 H38 H H 0.000 -12.498 6.037 3.398
PL1 OH3 O OH1 0.000 -13.540 4.255 3.590
PL1 HO3 H H 0.000 -12.732 3.737 3.712
PL1 CD C CH3 0.000 -14.515 6.259 2.657
PL1 HDC H H 0.000 -14.318 7.076 2.012
PL1 HDB H H 0.000 -15.269 5.648 2.231
PL1 HDA H H 0.000 -14.846 6.624 3.595
PL1 NL N NH1 0.000 -13.674 4.299 0.730
PL1 HNL H H 0.000 -13.665 3.289 0.749
PL1 C36 C C 0.000 -14.609 4.951 0.012
PL1 O36 O O 0.000 -14.620 6.163 -0.011
PL1 C34 C CH1 0.000 -15.643 4.173 -0.762
PL1 H34 H H 0.000 -15.142 3.531 -1.500
PL1 CC C CH3 0.000 -16.454 3.305 0.202
PL1 HCC H H 0.000 -15.818 2.590 0.657
PL1 HCB H H 0.000 -16.889 3.916 0.950
PL1 HCA H H 0.000 -17.220 2.804 -0.332
PL1 C33 C CH1 0.000 -16.578 5.146 -1.483
PL1 H33 H H 0.000 -15.987 5.814 -2.125
PL1 OH2 O OH1 0.000 -17.295 5.921 -0.520
PL1 HO2 H H 0.000 -17.814 5.332 0.045
PL1 C31 C CH1 0.000 -17.569 4.357 -2.342
PL1 H31 H H 0.000 -18.150 3.679 -1.702
PL1 CB C CH3 0.000 -18.516 5.330 -3.049
PL1 HBC H H 0.000 -17.966 5.933 -3.724
PL1 HBB H H 0.000 -19.250 4.784 -3.584
PL1 HBA H H 0.000 -18.990 5.948 -2.331
PL1 NK N NH1 0.000 -16.836 3.577 -3.341
PL1 HNK H H 0.000 -15.919 3.875 -3.641
PL1 C30 C C 0.000 -17.385 2.461 -3.861
PL1 O30 O O 0.000 -18.445 2.053 -3.436
PL1 C13 C CH1 0.000 -16.681 1.720 -4.969
PL1 H13 H H 0.000 -15.595 1.763 -4.807
PL1 C14 C CH1 0.000 -17.023 2.370 -6.312
PL1 H14 H H 0.000 -18.099 2.263 -6.508
PL1 OH1 O OH1 0.000 -16.682 3.757 -6.272
PL1 HO1 H H 0.000 -17.246 4.208 -5.629
PL1 C27 C CR5 0.000 -16.243 1.693 -7.410
PL1 NJ N NRD5 0.000 -14.910 1.547 -7.455
PL1 C29 C CR15 0.000 -14.584 0.911 -8.547
PL1 H29 H H 0.000 -13.578 0.647 -8.847
PL1 NI N NR15 0.000 -15.710 0.638 -9.242
PL1 HNI H H 0.000 -15.766 0.143 -10.155
PL1 C28 C CR15 0.000 -16.762 1.134 -8.520
PL1 H28 H H 0.000 -17.809 1.086 -8.790
PL1 NH N NH1 0.000 -17.120 0.323 -4.977
PL1 HNH H H 0.000 -18.102 0.101 -4.902
PL1 C12 C C 0.000 -16.211 -0.668 -5.086
PL1 O12 O O 0.000 -15.043 -0.401 -5.287
PL1 C10 C CR6 0.000 -16.638 -2.083 -4.960
PL1 NG N NR6 1.000 -16.606 -2.697 -3.777
PL1 CO CO CO 0.000 -16.046 -1.789 -2.315
PL1 O1P O O2 0.000 -15.514 -0.925 -0.926
PL1 O2P O OH1 0.000 -16.358 0.273 -0.822
PL1 H2P H H 0.000 -16.277 0.902 -0.068
PL1 C7 C CR6 0.000 -16.988 -3.951 -3.655
PL1 NE N NRD6 0.000 -17.405 -4.657 -4.686
PL1 C8 C CR6 0.000 -17.461 -4.124 -5.901
PL1 NF N NH2 0.000 -17.900 -4.875 -6.980
PL1 HF2 H H 0.000 -18.183 -5.842 -6.854
PL1 HF1 H H 0.000 -17.944 -4.468 -7.909
PL1 C9 C CR6 0.000 -17.071 -2.792 -6.076
PL1 CA C CH3 0.000 -17.118 -2.143 -7.435
PL1 HAC H H 0.000 -17.845 -2.628 -8.033
PL1 HAB H H 0.000 -17.372 -1.121 -7.330
PL1 HAA H H 0.000 -16.169 -2.225 -7.898
PL1 C6 C CH1 0.000 -16.940 -4.599 -2.295
PL1 H6 H H 0.000 -16.555 -3.879 -1.559
PL1 C5 C CH2 0.000 -16.020 -5.820 -2.344
PL1 H5E H H 0.000 -16.376 -6.513 -3.109
PL1 H5X H H 0.000 -16.025 -6.318 -1.372
PL1 C4 C C 0.000 -14.618 -5.379 -2.677
PL1 O4 O O 0.000 -14.359 -4.198 -2.765
PL1 ND N NH2 0.000 -13.651 -6.297 -2.875
PL1 HD2 H H 0.000 -12.708 -6.005 -3.099
PL1 HD1 H H 0.000 -13.862 -7.285 -2.801
PL1 NC N NH1 0.000 -18.293 -5.020 -1.907
PL1 HNC H H 0.000 -19.058 -5.239 -2.528
PL1 C3 C CH2 0.000 -18.317 -5.062 -0.438
PL1 H3E H H 0.000 -18.156 -4.056 -0.044
PL1 H3X H H 0.000 -17.525 -5.723 -0.080
PL1 C2 C CH1 0.000 -19.674 -5.586 0.036
PL1 H2 H H 0.000 -19.797 -6.629 -0.287
PL1 NB N NH2 0.000 -20.745 -4.764 -0.545
PL1 HB2 H H 0.000 -21.447 -5.186 -1.142
PL1 HB1 H H 0.000 -20.789 -3.770 -0.353
PL1 C1 C C 0.000 -19.744 -5.513 1.539
PL1 O1 O O 0.000 -20.331 -4.597 2.075
PL1 NA N NH2 0.000 -19.154 -6.465 2.288
PL1 HA2 H H 0.000 -19.198 -6.421 3.299
PL1 HA1 H H 0.000 -18.662 -7.232 1.845
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
PL1 O49 n/a C49 START
PL1 C49 O49 C48 .
PL1 NP C49 C51 .
PL1 HNP NP . .
PL1 C51 NP C52 .
PL1 H6E C51 . .
PL1 H6X C51 . .
PL1 C52 C51 C53 .
PL1 H7E C52 . .
PL1 H7X C52 . .
PL1 C53 C52 NQ .
PL1 H8E C53 . .
PL1 H8X C53 . .
PL1 NQ C53 C54 .
PL1 HNQ NQ . .
PL1 C54 NQ C56 .
PL1 H54 C54 . .
PL1 CE C54 HEA .
PL1 HEC CE . .
PL1 HEB CE . .
PL1 HEA CE . .
PL1 C56 C54 C61 .
PL1 C61 C56 C60 .
PL1 H61 C61 . .
PL1 C60 C61 C59 .
PL1 H60 C60 . .
PL1 C59 C60 C58 .
PL1 H59 C59 . .
PL1 C58 C59 C57 .
PL1 H58 C58 . .
PL1 C57 C58 H57 .
PL1 H57 C57 . .
PL1 C48 C49 NO .
PL1 NO C48 C46 .
PL1 C46 NO C45 .
PL1 S46 C46 C47 .
PL1 C47 S46 H47 .
PL1 H47 C47 . .
PL1 C45 C46 NN .
PL1 NN C45 C43 .
PL1 C43 NN C42 .
PL1 S43 C43 C44 .
PL1 C44 S43 H44 .
PL1 H44 C44 . .
PL1 C42 C43 C41 .
PL1 H2E C42 . .
PL1 H2X C42 . .
PL1 C41 C42 NM .
PL1 H1E C41 . .
PL1 H1X C41 . .
PL1 NM C41 C40 .
PL1 HNM NM . .
PL1 C40 NM C37 .
PL1 O40 C40 . .
PL1 C37 C40 NL .
PL1 H37 C37 . .
PL1 C38 C37 CD .
PL1 H38 C38 . .
PL1 OH3 C38 HO3 .
PL1 HO3 OH3 . .
PL1 CD C38 HDA .
PL1 HDC CD . .
PL1 HDB CD . .
PL1 HDA CD . .
PL1 NL C37 C36 .
PL1 HNL NL . .
PL1 C36 NL C34 .
PL1 O36 C36 . .
PL1 C34 C36 C33 .
PL1 H34 C34 . .
PL1 CC C34 HCA .
PL1 HCC CC . .
PL1 HCB CC . .
PL1 HCA CC . .
PL1 C33 C34 C31 .
PL1 H33 C33 . .
PL1 OH2 C33 HO2 .
PL1 HO2 OH2 . .
PL1 C31 C33 NK .
PL1 H31 C31 . .
PL1 CB C31 HBA .
PL1 HBC CB . .
PL1 HBB CB . .
PL1 HBA CB . .
PL1 NK C31 C30 .
PL1 HNK NK . .
PL1 C30 NK C13 .
PL1 O30 C30 . .
PL1 C13 C30 NH .
PL1 H13 C13 . .
PL1 C14 C13 C27 .
PL1 H14 C14 . .
PL1 OH1 C14 HO1 .
PL1 HO1 OH1 . .
PL1 C27 C14 NJ .
PL1 NJ C27 C29 .
PL1 C29 NJ NI .
PL1 H29 C29 . .
PL1 NI C29 C28 .
PL1 HNI NI . .
PL1 C28 NI H28 .
PL1 H28 C28 . .
PL1 NH C13 C12 .
PL1 HNH NH . .
PL1 C12 NH C10 .
PL1 O12 C12 . .
PL1 C10 C12 NG .
PL1 NG C10 C7 .
PL1 CO NG O1P .
PL1 O1P CO O2P .
PL1 O2P O1P H2P .
PL1 H2P O2P . .
PL1 C7 NG C6 .
PL1 NE C7 C8 .
PL1 C8 NE C9 .
PL1 NF C8 HF1 .
PL1 HF2 NF . .
PL1 HF1 NF . .
PL1 C9 C8 CA .
PL1 CA C9 HAA .
PL1 HAC CA . .
PL1 HAB CA . .
PL1 HAA CA . .
PL1 C6 C7 NC .
PL1 H6 C6 . .
PL1 C5 C6 C4 .
PL1 H5E C5 . .
PL1 H5X C5 . .
PL1 C4 C5 ND .
PL1 O4 C4 . .
PL1 ND C4 HD1 .
PL1 HD2 ND . .
PL1 HD1 ND . .
PL1 NC C6 C3 .
PL1 HNC NC . .
PL1 C3 NC C2 .
PL1 H3E C3 . .
PL1 H3X C3 . .
PL1 C2 C3 C1 .
PL1 H2 C2 . .
PL1 NB C2 HB1 .
PL1 HB2 NB . .
PL1 HB1 NB . .
PL1 C1 C2 NA .
PL1 O1 C1 . .
PL1 NA C1 HA1 .
PL1 HA2 NA . .
PL1 HA1 NA . END
PL1 C10 C9 . ADD
PL1 C27 C28 . ADD
PL1 C44 C45 . ADD
PL1 C47 C48 . ADD
PL1 C56 C57 . ADD
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
PL1 C1 C2 single 1.500 0.020
PL1 NA C1 single 1.332 0.020
PL1 O1 C1 double 1.220 0.020
PL1 C10 C12 single 1.500 0.020
PL1 C10 C9 single 1.487 0.020
PL1 NG C10 double 1.337 0.020
PL1 C12 NH single 1.330 0.020
PL1 O12 C12 double 1.220 0.020
PL1 C14 C13 single 1.524 0.020
PL1 C13 C30 single 1.500 0.020
PL1 NH C13 single 1.450 0.020
PL1 H13 C13 single 1.099 0.020
PL1 C27 C14 single 1.480 0.020
PL1 OH1 C14 single 1.432 0.020
PL1 H14 C14 single 1.099 0.020
PL1 C2 C3 single 1.524 0.020
PL1 NB C2 single 1.450 0.020
PL1 H2 C2 single 1.099 0.020
PL1 C27 C28 double 1.387 0.020
PL1 NJ C27 single 1.350 0.020
PL1 C28 NI single 1.350 0.020
PL1 H28 C28 single 1.083 0.020
PL1 NI C29 single 1.350 0.020
PL1 C29 NJ double 1.350 0.020
PL1 H29 C29 single 1.083 0.020
PL1 C3 NC single 1.450 0.020
PL1 H3E C3 single 1.092 0.020
PL1 H3X C3 single 1.092 0.020
PL1 C30 NK single 1.330 0.020
PL1 O30 C30 double 1.220 0.020
PL1 C31 C33 single 1.524 0.020
PL1 CB C31 single 1.524 0.020
PL1 NK C31 single 1.450 0.020
PL1 H31 C31 single 1.099 0.020
PL1 C33 C34 single 1.524 0.020
PL1 OH2 C33 single 1.432 0.020
PL1 H33 C33 single 1.099 0.020
PL1 C34 C36 single 1.500 0.020
PL1 CC C34 single 1.524 0.020
PL1 H34 C34 single 1.099 0.020
PL1 C36 NL single 1.330 0.020
PL1 O36 C36 double 1.220 0.020
PL1 C38 C37 single 1.524 0.020
PL1 C37 C40 single 1.500 0.020
PL1 NL C37 single 1.450 0.020
PL1 H37 C37 single 1.099 0.020
PL1 CD C38 single 1.524 0.020
PL1 OH3 C38 single 1.432 0.020
PL1 H38 C38 single 1.099 0.020
PL1 C4 C5 single 1.510 0.020
PL1 ND C4 single 1.332 0.020
PL1 O4 C4 double 1.220 0.020
PL1 C40 NM single 1.330 0.020
PL1 O40 C40 double 1.220 0.020
PL1 C41 C42 single 1.524 0.020
PL1 NM C41 single 1.450 0.020
PL1 H1E C41 single 1.092 0.020
PL1 H1X C41 single 1.092 0.020
PL1 C42 C43 single 1.510 0.020
PL1 H2E C42 single 1.092 0.020
PL1 H2X C42 single 1.092 0.020
PL1 C43 NN double 1.350 0.020
PL1 S43 C43 single 1.745 0.020
PL1 C44 C45 double 1.387 0.020
PL1 C44 S43 single 1.745 0.020
PL1 H44 C44 single 1.083 0.020
PL1 C45 C46 single 1.490 0.020
PL1 NN C45 single 1.350 0.020
PL1 C46 NO double 1.350 0.020
PL1 S46 C46 single 1.745 0.020
PL1 C47 C48 double 1.387 0.020
PL1 C47 S46 single 1.745 0.020
PL1 H47 C47 single 1.083 0.020
PL1 C48 C49 single 1.490 0.020
PL1 NO C48 single 1.350 0.020
PL1 NP C49 single 1.330 0.020
PL1 C49 O49 double 1.220 0.020
PL1 C5 C6 single 1.524 0.020
PL1 H5E C5 single 1.092 0.020
PL1 H5X C5 single 1.092 0.020
PL1 C52 C51 single 1.524 0.020
PL1 C51 NP single 1.450 0.020
PL1 H6E C51 single 1.092 0.020
PL1 H6X C51 single 1.092 0.020
PL1 C53 C52 single 1.524 0.020
PL1 H7E C52 single 1.092 0.020
PL1 H7X C52 single 1.092 0.020
PL1 NQ C53 single 1.450 0.020
PL1 H8E C53 single 1.092 0.020
PL1 H8X C53 single 1.092 0.020
PL1 C56 C54 single 1.480 0.020
PL1 CE C54 single 1.524 0.020
PL1 C54 NQ single 1.450 0.020
PL1 H54 C54 single 1.099 0.020
PL1 C56 C57 double 1.390 0.020
PL1 C61 C56 single 1.390 0.020
PL1 C57 C58 single 1.390 0.020
PL1 H57 C57 single 1.083 0.020
PL1 C58 C59 double 1.390 0.020
PL1 H58 C58 single 1.083 0.020
PL1 C59 C60 single 1.390 0.020
PL1 H59 C59 single 1.083 0.020
PL1 C6 C7 single 1.480 0.020
PL1 NC C6 single 1.450 0.020
PL1 H6 C6 single 1.099 0.020
PL1 C60 C61 double 1.390 0.020
PL1 H60 C60 single 1.083 0.020
PL1 H61 C61 single 1.083 0.020
PL1 NE C7 double 1.350 0.020
PL1 C7 NG single 1.410 0.020
PL1 C9 C8 double 1.487 0.020
PL1 C8 NE single 1.350 0.020
PL1 NF C8 single 1.355 0.020
PL1 CA C9 single 1.506 0.020
PL1 HAA CA single 1.059 0.020
PL1 HAB CA single 1.059 0.020
PL1 HAC CA single 1.059 0.020
PL1 HBA CB single 1.059 0.020
PL1 HBB CB single 1.059 0.020
PL1 HBC CB single 1.059 0.020
PL1 HCA CC single 1.059 0.020
PL1 HCB CC single 1.059 0.020
PL1 HCC CC single 1.059 0.020
PL1 HDA CD single 1.059 0.020
PL1 HDB CD single 1.059 0.020
PL1 HDC CD single 1.059 0.020
PL1 HEA CE single 1.059 0.020
PL1 HEB CE single 1.059 0.020
PL1 HEC CE single 1.059 0.020
PL1 HA1 NA single 1.010 0.020
PL1 HA2 NA single 1.010 0.020
PL1 HB1 NB single 1.010 0.020
PL1 HB2 NB single 1.010 0.020
PL1 HNC NC single 1.010 0.020
PL1 HD1 ND single 1.010 0.020
PL1 HD2 ND single 1.010 0.020
PL1 HF1 NF single 1.010 0.020
PL1 HF2 NF single 1.010 0.020
PL1 CO NG single 1.890 0.020
PL1 HNH NH single 1.010 0.020
PL1 HNI NI single 1.040 0.020
PL1 HNK NK single 1.010 0.020
PL1 HNL NL single 1.010 0.020
PL1 HNM NM single 1.010 0.020
PL1 HNP NP single 1.010 0.020
PL1 HNQ NQ single 1.010 0.020
PL1 O2P O1P single 1.369 0.020
PL1 O1P CO single 1.825 0.020
PL1 H2P O2P single 0.967 0.020
PL1 HO1 OH1 single 0.967 0.020
PL1 HO2 OH2 single 0.967 0.020
PL1 HO3 OH3 single 0.967 0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
PL1 O49 C49 NP 123.000 3.000
PL1 O49 C49 C48 120.500 3.000
PL1 NP C49 C48 120.000 3.000
PL1 C49 NP HNP 120.000 3.000
PL1 C49 NP C51 121.500 3.000
PL1 HNP NP C51 118.500 3.000
PL1 NP C51 H6E 109.470 3.000
PL1 NP C51 H6X 109.470 3.000
PL1 NP C51 C52 112.000 3.000
PL1 H6E C51 H6X 107.900 3.000
PL1 H6E C51 C52 109.470 3.000
PL1 H6X C51 C52 109.470 3.000
PL1 C51 C52 H7E 109.470 3.000
PL1 C51 C52 H7X 109.470 3.000
PL1 C51 C52 C53 111.000 3.000
PL1 H7E C52 H7X 107.900 3.000
PL1 H7E C52 C53 109.470 3.000
PL1 H7X C52 C53 109.470 3.000
PL1 C52 C53 H8E 109.470 3.000
PL1 C52 C53 H8X 109.470 3.000
PL1 C52 C53 NQ 112.000 3.000
PL1 H8E C53 H8X 107.900 3.000
PL1 H8E C53 NQ 109.470 3.000
PL1 H8X C53 NQ 109.470 3.000
PL1 C53 NQ HNQ 118.500 3.000
PL1 C53 NQ C54 120.000 3.000
PL1 HNQ NQ C54 118.500 3.000
PL1 NQ C54 H54 108.550 3.000
PL1 NQ C54 CE 110.000 3.000
PL1 NQ C54 C56 109.470 3.000
PL1 H54 C54 CE 108.340 3.000
PL1 H54 C54 C56 109.470 3.000
PL1 CE C54 C56 109.470 3.000
PL1 C54 CE HEC 109.470 3.000
PL1 C54 CE HEB 109.470 3.000
PL1 C54 CE HEA 109.470 3.000
PL1 HEC CE HEB 109.470 3.000
PL1 HEC CE HEA 109.470 3.000
PL1 HEB CE HEA 109.470 3.000
PL1 C54 C56 C61 120.000 3.000
PL1 C54 C56 C57 120.000 3.000
PL1 C61 C56 C57 120.000 3.000
PL1 C56 C61 H61 120.000 3.000
PL1 C56 C61 C60 120.000 3.000
PL1 H61 C61 C60 120.000 3.000
PL1 C61 C60 H60 120.000 3.000
PL1 C61 C60 C59 120.000 3.000
PL1 H60 C60 C59 120.000 3.000
PL1 C60 C59 H59 120.000 3.000
PL1 C60 C59 C58 120.000 3.000
PL1 H59 C59 C58 120.000 3.000
PL1 C59 C58 H58 120.000 3.000
PL1 C59 C58 C57 120.000 3.000
PL1 H58 C58 C57 120.000 3.000
PL1 C58 C57 H57 120.000 3.000
PL1 C58 C57 C56 120.000 3.000
PL1 H57 C57 C56 120.000 3.000
PL1 C49 C48 NO 126.000 3.000
PL1 C49 C48 C47 126.000 3.000
PL1 NO C48 C47 108.000 3.000
PL1 C48 NO C46 108.000 3.000
PL1 NO C46 S46 108.000 3.000
PL1 NO C46 C45 108.000 3.000
PL1 S46 C46 C45 108.000 3.000
PL1 C46 S46 C47 97.731 3.000
PL1 S46 C47 H47 108.000 3.000
PL1 S46 C47 C48 108.000 3.000
PL1 H47 C47 C48 126.000 3.000
PL1 C46 C45 NN 108.000 3.000
PL1 C46 C45 C44 108.000 3.000
PL1 NN C45 C44 108.000 3.000
PL1 C45 NN C43 108.000 3.000
PL1 NN C43 S43 108.000 3.000
PL1 NN C43 C42 126.000 3.000
PL1 S43 C43 C42 108.000 3.000
PL1 C43 S43 C44 97.602 3.000
PL1 S43 C44 H44 108.000 3.000
PL1 S43 C44 C45 108.000 3.000
PL1 H44 C44 C45 126.000 3.000
PL1 C43 C42 H2E 109.470 3.000
PL1 C43 C42 H2X 109.470 3.000
PL1 C43 C42 C41 109.470 3.000
PL1 H2E C42 H2X 107.900 3.000
PL1 H2E C42 C41 109.470 3.000
PL1 H2X C42 C41 109.470 3.000
PL1 C42 C41 H1E 109.470 3.000
PL1 C42 C41 H1X 109.470 3.000
PL1 C42 C41 NM 112.000 3.000
PL1 H1E C41 H1X 107.900 3.000
PL1 H1E C41 NM 109.470 3.000
PL1 H1X C41 NM 109.470 3.000
PL1 C41 NM HNM 118.500 3.000
PL1 C41 NM C40 121.500 3.000
PL1 HNM NM C40 120.000 3.000
PL1 NM C40 O40 123.000 3.000
PL1 NM C40 C37 116.500 3.000
PL1 O40 C40 C37 120.500 3.000
PL1 C40 C37 H37 108.810 3.000
PL1 C40 C37 C38 109.470 3.000
PL1 C40 C37 NL 111.600 3.000
PL1 H37 C37 C38 108.340 3.000
PL1 H37 C37 NL 108.550 3.000
PL1 C38 C37 NL 110.000 3.000
PL1 C37 C38 H38 108.340 3.000
PL1 C37 C38 OH3 109.470 3.000
PL1 C37 C38 CD 111.000 3.000
PL1 H38 C38 OH3 109.470 3.000
PL1 H38 C38 CD 108.340 3.000
PL1 OH3 C38 CD 109.470 3.000
PL1 C38 OH3 HO3 109.470 3.000
PL1 C38 CD HDC 109.470 3.000
PL1 C38 CD HDB 109.470 3.000
PL1 C38 CD HDA 109.470 3.000
PL1 HDC CD HDB 109.470 3.000
PL1 HDC CD HDA 109.470 3.000
PL1 HDB CD HDA 109.470 3.000
PL1 C37 NL HNL 118.500 3.000
PL1 C37 NL C36 121.500 3.000
PL1 HNL NL C36 120.000 3.000
PL1 NL C36 O36 123.000 3.000
PL1 NL C36 C34 116.500 3.000
PL1 O36 C36 C34 120.500 3.000
PL1 C36 C34 H34 108.810 3.000
PL1 C36 C34 CC 109.470 3.000
PL1 C36 C34 C33 109.470 3.000
PL1 H34 C34 CC 108.340 3.000
PL1 H34 C34 C33 108.340 3.000
PL1 CC C34 C33 111.000 3.000
PL1 C34 CC HCC 109.470 3.000
PL1 C34 CC HCB 109.470 3.000
PL1 C34 CC HCA 109.470 3.000
PL1 HCC CC HCB 109.470 3.000
PL1 HCC CC HCA 109.470 3.000
PL1 HCB CC HCA 109.470 3.000
PL1 C34 C33 H33 108.340 3.000
PL1 C34 C33 OH2 109.470 3.000
PL1 C34 C33 C31 111.000 3.000
PL1 H33 C33 OH2 109.470 3.000
PL1 H33 C33 C31 108.340 3.000
PL1 OH2 C33 C31 109.470 3.000
PL1 C33 OH2 HO2 109.470 3.000
PL1 C33 C31 H31 108.340 3.000
PL1 C33 C31 CB 111.000 3.000
PL1 C33 C31 NK 110.000 3.000
PL1 H31 C31 CB 108.340 3.000
PL1 H31 C31 NK 108.550 3.000
PL1 CB C31 NK 110.000 3.000
PL1 C31 CB HBC 109.470 3.000
PL1 C31 CB HBB 109.470 3.000
PL1 C31 CB HBA 109.470 3.000
PL1 HBC CB HBB 109.470 3.000
PL1 HBC CB HBA 109.470 3.000
PL1 HBB CB HBA 109.470 3.000
PL1 C31 NK HNK 118.500 3.000
PL1 C31 NK C30 121.500 3.000
PL1 HNK NK C30 120.000 3.000
PL1 NK C30 O30 123.000 3.000
PL1 NK C30 C13 116.500 3.000
PL1 O30 C30 C13 120.500 3.000
PL1 C30 C13 H13 108.810 3.000
PL1 C30 C13 C14 109.470 3.000
PL1 C30 C13 NH 111.600 3.000
PL1 H13 C13 C14 108.340 3.000
PL1 H13 C13 NH 108.550 3.000
PL1 C14 C13 NH 110.000 3.000
PL1 C13 C14 H14 108.340 3.000
PL1 C13 C14 OH1 109.470 3.000
PL1 C13 C14 C27 109.470 3.000
PL1 H14 C14 OH1 109.470 3.000
PL1 H14 C14 C27 109.470 3.000
PL1 OH1 C14 C27 109.500 3.000
PL1 C14 OH1 HO1 109.470 3.000
PL1 C14 C27 NJ 126.000 3.000
PL1 C14 C27 C28 108.000 3.000
PL1 NJ C27 C28 108.000 3.000
PL1 C27 NJ C29 108.000 3.000
PL1 NJ C29 H29 126.000 3.000
PL1 NJ C29 NI 108.000 3.000
PL1 H29 C29 NI 126.000 3.000
PL1 C29 NI HNI 126.000 3.000
PL1 C29 NI C28 108.000 3.000
PL1 HNI NI C28 126.000 3.000
PL1 NI C28 H28 126.000 3.000
PL1 NI C28 C27 108.000 3.000
PL1 H28 C28 C27 126.000 3.000
PL1 C13 NH HNH 118.500 3.000
PL1 C13 NH C12 121.500 3.000
PL1 HNH NH C12 120.000 3.000
PL1 NH C12 O12 123.000 3.000
PL1 NH C12 C10 120.000 3.000
PL1 O12 C12 C10 120.500 3.000
PL1 C12 C10 NG 120.000 3.000
PL1 C12 C10 C9 120.000 3.000
PL1 NG C10 C9 120.000 3.000
PL1 C10 NG CO 120.000 3.000
PL1 C10 NG C7 120.000 3.000
PL1 CO NG C7 120.000 3.000
PL1 NG CO O1P 180.000 3.000
PL1 CO O1P O2P 120.000 3.000
PL1 O1P O2P H2P 120.000 3.000
PL1 NG C7 NE 120.000 3.000
PL1 NG C7 C6 120.000 3.000
PL1 NE C7 C6 120.000 3.000
PL1 C7 NE C8 120.000 3.000
PL1 NE C8 NF 120.000 3.000
PL1 NE C8 C9 120.000 3.000
PL1 NF C8 C9 120.000 3.000
PL1 C8 NF HF2 120.000 3.000
PL1 C8 NF HF1 120.000 3.000
PL1 HF2 NF HF1 120.000 3.000
PL1 C8 C9 CA 120.000 3.000
PL1 C8 C9 C10 120.000 3.000
PL1 CA C9 C10 120.000 3.000
PL1 C9 CA HAC 109.470 3.000
PL1 C9 CA HAB 109.470 3.000
PL1 C9 CA HAA 109.470 3.000
PL1 HAC CA HAB 109.470 3.000
PL1 HAC CA HAA 109.470 3.000
PL1 HAB CA HAA 109.470 3.000
PL1 C7 C6 H6 109.470 3.000
PL1 C7 C6 C5 109.470 3.000
PL1 C7 C6 NC 109.470 3.000
PL1 H6 C6 C5 108.340 3.000
PL1 H6 C6 NC 108.550 3.000
PL1 C5 C6 NC 110.000 3.000
PL1 C6 C5 H5E 109.470 3.000
PL1 C6 C5 H5X 109.470 3.000
PL1 C6 C5 C4 109.470 3.000
PL1 H5E C5 H5X 107.900 3.000
PL1 H5E C5 C4 109.470 3.000
PL1 H5X C5 C4 109.470 3.000
PL1 C5 C4 O4 120.500 3.000
PL1 C5 C4 ND 116.500 3.000
PL1 O4 C4 ND 123.000 3.000
PL1 C4 ND HD2 120.000 3.000
PL1 C4 ND HD1 120.000 3.000
PL1 HD2 ND HD1 120.000 3.000
PL1 C6 NC HNC 118.500 3.000
PL1 C6 NC C3 120.000 3.000
PL1 HNC NC C3 118.500 3.000
PL1 NC C3 H3E 109.470 3.000
PL1 NC C3 H3X 109.470 3.000
PL1 NC C3 C2 110.000 3.000
PL1 H3E C3 H3X 107.900 3.000
PL1 H3E C3 C2 109.470 3.000
PL1 H3X C3 C2 109.470 3.000
PL1 C3 C2 H2 108.340 3.000
PL1 C3 C2 NB 109.470 3.000
PL1 C3 C2 C1 109.470 3.000
PL1 H2 C2 NB 109.470 3.000
PL1 H2 C2 C1 108.810 3.000
PL1 NB C2 C1 109.470 3.000
PL1 C2 NB HB2 120.000 3.000
PL1 C2 NB HB1 120.000 3.000
PL1 HB2 NB HB1 120.000 3.000
PL1 C2 C1 O1 120.500 3.000
PL1 C2 C1 NA 120.000 3.000
PL1 O1 C1 NA 123.000 3.000
PL1 C1 NA HA2 120.000 3.000
PL1 C1 NA HA1 120.000 3.000
PL1 HA2 NA HA1 120.000 3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
PL1 CONST_1 O49 C49 NP C51 0.000 0.000 0
PL1 var_1 C49 NP C51 C52 -179.999 20.000 3
PL1 var_2 NP C51 C52 C53 179.980 20.000 3
PL1 var_3 C51 C52 C53 NQ -179.971 20.000 3
PL1 var_4 C52 C53 NQ C54 -179.975 20.000 3
PL1 var_5 C53 NQ C54 C56 -155.031 20.000 3
PL1 var_6 NQ C54 CE HEA 59.964 20.000 3
PL1 var_7 NQ C54 C56 C61 -40.250 20.000 1
PL1 CONST_2 C54 C56 C57 C58 180.000 0.000 0
PL1 CONST_3 C54 C56 C61 C60 180.000 0.000 0
PL1 CONST_4 C56 C61 C60 C59 0.000 0.000 0
PL1 CONST_5 C61 C60 C59 C58 0.000 0.000 0
PL1 CONST_6 C60 C59 C58 C57 0.000 0.000 0
PL1 CONST_7 C59 C58 C57 C56 0.000 0.000 0
PL1 var_8 O49 C49 C48 NO -179.753 20.000 1
PL1 CONST_8 C49 C48 NO C46 180.000 0.000 0
PL1 CONST_9 C48 NO C46 C45 180.000 0.000 0
PL1 CONST_10 NO C46 S46 C47 0.000 0.000 0
PL1 CONST_11 C46 S46 C47 C48 0.000 0.000 0
PL1 CONST_12 S46 C47 C48 C49 180.000 0.000 0
PL1 CONST_13 NO C46 C45 NN 180.000 0.000 0
PL1 CONST_14 C46 C45 NN C43 180.000 0.000 0
PL1 CONST_15 C45 NN C43 C42 180.000 0.000 0
PL1 CONST_16 NN C43 S43 C44 0.000 0.000 0
PL1 CONST_17 C43 S43 C44 C45 0.000 0.000 0
PL1 CONST_18 S43 C44 C45 C46 180.000 0.000 0
PL1 var_9 NN C43 C42 C41 89.679 20.000 2
PL1 var_10 C43 C42 C41 NM 179.957 20.000 3
PL1 var_11 C42 C41 NM C40 -179.999 20.000 3
PL1 CONST_19 C41 NM C40 C37 180.000 0.000 0
PL1 var_12 NM C40 C37 NL 159.666 20.000 3
PL1 var_13 C40 C37 C38 CD -177.977 20.000 3
PL1 var_14 C37 C38 OH3 HO3 59.988 20.000 1
PL1 var_15 C37 C38 CD HDA -173.294 20.000 3
PL1 var_16 C40 C37 NL C36 -155.010 20.000 3
PL1 CONST_20 C37 NL C36 C34 180.000 0.000 0
PL1 var_17 NL C36 C34 C33 -179.986 20.000 3
PL1 var_18 C36 C34 CC HCA 176.454 20.000 3
PL1 var_19 C36 C34 C33 C31 176.288 20.000 3
PL1 var_20 C34 C33 OH2 HO2 -59.993 20.000 1
PL1 var_21 C34 C33 C31 NK -60.761 20.000 3
PL1 var_22 C33 C31 CB HBA -55.565 20.000 3
PL1 var_23 C33 C31 NK C30 154.989 20.000 3
PL1 CONST_21 C31 NK C30 C13 180.000 0.000 0
PL1 var_24 NK C30 C13 NH 156.288 20.000 3
PL1 var_25 C30 C13 C14 C27 175.934 20.000 3
PL1 var_26 C13 C14 OH1 HO1 -65.708 20.000 1
PL1 var_27 C13 C14 C27 NJ -55.284 20.000 1
PL1 CONST_22 C14 C27 C28 NI 180.000 0.000 0
PL1 CONST_23 C14 C27 NJ C29 180.000 0.000 0
PL1 CONST_24 C27 NJ C29 NI 0.000 0.000 0
PL1 CONST_25 NJ C29 NI C28 0.000 0.000 0
PL1 CONST_26 C29 NI C28 C27 0.000 0.000 0
PL1 var_28 C30 C13 NH C12 -134.059 20.000 3
PL1 CONST_27 C13 NH C12 C10 180.000 0.000 0
PL1 var_29 NH C12 C10 NG -92.186 20.000 1
PL1 CONST_28 C12 C10 C9 C8 180.000 0.000 0
PL1 CONST_29 C12 C10 NG C7 180.000 0.000 0
PL1 var_30 C10 NG CO O1P 180.000 20.000 1
PL1 var_31 O2P O1P CO NG 180.000 20.000 1
PL1 var_32 CO O1P O2P H2P 176.297 20.000 1
PL1 CONST_30 C10 NG C7 C6 180.000 0.000 0
PL1 CONST_31 NG C7 NE C8 0.000 0.000 0
PL1 CONST_32 C7 NE C8 C9 0.000 0.000 0
PL1 CONST_33 NE C8 NF HF1 179.933 0.000 0
PL1 CONST_34 NE C8 C9 CA 180.000 0.000 0
PL1 var_33 C8 C9 CA HAA -94.243 20.000 1
PL1 var_34 NG C7 C6 NC 119.252 20.000 1
PL1 var_35 C7 C6 C5 C4 62.744 20.000 3
PL1 var_36 C6 C5 C4 ND -174.926 20.000 3
PL1 CONST_35 C5 C4 ND HD1 0.000 0.000 0
PL1 var_37 C7 C6 NC C3 -154.849 20.000 3
PL1 var_38 C6 NC C3 C2 -176.220 20.000 3
PL1 var_39 NC C3 C2 C1 -174.996 20.000 3
PL1 var_40 C3 C2 NB HB1 -60.018 20.000 1
PL1 var_41 C3 C2 C1 NA -80.035 20.000 3
PL1 CONST_36 C2 C1 NA HA1 0.000 0.000 0
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
PL1 chir_01 C13 C14 C30 NH negativ
PL1 chir_02 C14 C13 C27 OH1 positiv
PL1 chir_03 C2 C1 C3 NB positiv
PL1 chir_04 C31 C33 CB NK negativ
PL1 chir_05 C33 C31 C34 OH2 positiv
PL1 chir_06 C34 C33 C36 CC negativ
PL1 chir_07 C37 C38 C40 NL negativ
PL1 chir_08 C38 C37 CD OH3 negativ
PL1 chir_09 C54 C56 CE NQ positiv
PL1 chir_10 C6 C5 C7 NC negativ
PL1 chir_11 CO NG O1P . cross0
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
PL1 plan-1 C1 0.020
PL1 plan-1 C2 0.020
PL1 plan-1 NA 0.020
PL1 plan-1 O1 0.020
PL1 plan-1 HA2 0.020
PL1 plan-1 HA1 0.020
PL1 plan-2 C10 0.020
PL1 plan-2 C12 0.020
PL1 plan-2 C9 0.020
PL1 plan-2 NG 0.020
PL1 plan-2 C7 0.020
PL1 plan-2 C8 0.020
PL1 plan-2 NE 0.020
PL1 plan-2 C6 0.020
PL1 plan-2 NF 0.020
PL1 plan-2 CA 0.020
PL1 plan-2 CO 0.020
PL1 plan-2 HF2 0.020
PL1 plan-2 HF1 0.020
PL1 plan-3 C12 0.020
PL1 plan-3 C10 0.020
PL1 plan-3 NH 0.020
PL1 plan-3 O12 0.020
PL1 plan-3 HNH 0.020
PL1 plan-4 C27 0.020
PL1 plan-4 C14 0.020
PL1 plan-4 C28 0.020
PL1 plan-4 NJ 0.020
PL1 plan-4 C29 0.020
PL1 plan-4 NI 0.020
PL1 plan-4 H28 0.020
PL1 plan-4 H29 0.020
PL1 plan-4 HNI 0.020
PL1 plan-5 C30 0.020
PL1 plan-5 C13 0.020
PL1 plan-5 NK 0.020
PL1 plan-5 O30 0.020
PL1 plan-5 HNK 0.020
PL1 plan-6 C36 0.020
PL1 plan-6 C34 0.020
PL1 plan-6 NL 0.020
PL1 plan-6 O36 0.020
PL1 plan-6 HNL 0.020
PL1 plan-7 C4 0.020
PL1 plan-7 C5 0.020
PL1 plan-7 ND 0.020
PL1 plan-7 O4 0.020
PL1 plan-7 HD2 0.020
PL1 plan-7 HD1 0.020
PL1 plan-8 C40 0.020
PL1 plan-8 C37 0.020
PL1 plan-8 NM 0.020
PL1 plan-8 O40 0.020
PL1 plan-8 HNM 0.020
PL1 plan-9 C43 0.020
PL1 plan-9 C42 0.020
PL1 plan-9 NN 0.020
PL1 plan-9 S43 0.020
PL1 plan-9 C44 0.020
PL1 plan-9 C45 0.020
PL1 plan-9 H44 0.020
PL1 plan-9 C46 0.020
PL1 plan-10 C46 0.020
PL1 plan-10 C45 0.020
PL1 plan-10 NO 0.020
PL1 plan-10 S46 0.020
PL1 plan-10 C47 0.020
PL1 plan-10 C48 0.020
PL1 plan-10 H47 0.020
PL1 plan-10 C49 0.020
PL1 plan-11 C49 0.020
PL1 plan-11 C48 0.020
PL1 plan-11 NP 0.020
PL1 plan-11 O49 0.020
PL1 plan-11 HNP 0.020
PL1 plan-12 C56 0.020
PL1 plan-12 C54 0.020
PL1 plan-12 C57 0.020
PL1 plan-12 C61 0.020
PL1 plan-12 C58 0.020
PL1 plan-12 C59 0.020
PL1 plan-12 C60 0.020
PL1 plan-12 H57 0.020
PL1 plan-12 H58 0.020
PL1 plan-12 H59 0.020
PL1 plan-12 H60 0.020
PL1 plan-12 H61 0.020
PL1 plan-13 NA 0.020
PL1 plan-13 C1 0.020
PL1 plan-13 HA1 0.020
PL1 plan-13 HA2 0.020
PL1 plan-14 NB 0.020
PL1 plan-14 C2 0.020
PL1 plan-14 HB1 0.020
PL1 plan-14 HB2 0.020
PL1 plan-15 NC 0.020
PL1 plan-15 C3 0.020
PL1 plan-15 C6 0.020
PL1 plan-15 HNC 0.020
PL1 plan-16 ND 0.020
PL1 plan-16 C4 0.020
PL1 plan-16 HD1 0.020
PL1 plan-16 HD2 0.020
PL1 plan-17 NF 0.020
PL1 plan-17 C8 0.020
PL1 plan-17 HF1 0.020
PL1 plan-17 HF2 0.020
PL1 plan-18 NH 0.020
PL1 plan-18 C12 0.020
PL1 plan-18 C13 0.020
PL1 plan-18 HNH 0.020
PL1 plan-19 NK 0.020
PL1 plan-19 C30 0.020
PL1 plan-19 C31 0.020
PL1 plan-19 HNK 0.020
PL1 plan-20 NL 0.020
PL1 plan-20 C36 0.020
PL1 plan-20 C37 0.020
PL1 plan-20 HNL 0.020
PL1 plan-21 NM 0.020
PL1 plan-21 C40 0.020
PL1 plan-21 C41 0.020
PL1 plan-21 HNM 0.020
PL1 plan-22 NP 0.020
PL1 plan-22 C49 0.020
PL1 plan-22 C51 0.020
PL1 plan-22 HNP 0.020
PL1 plan-23 NQ 0.020
PL1 plan-23 C53 0.020
PL1 plan-23 C54 0.020
PL1 plan-23 HNQ 0.020
# ------------------------------------------------------
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