1[ bondedtypes ] 2; Column 1 : default bondtype 3; Column 2 : default angletype 4; Column 3 : default proper dihedraltype 5; Column 4 : default improper dihedraltype 6; Column 5 : This controls the generation of dihedrals from the bonding. 7; All possible dihedrals are generated automatically. A value of 8; 1 here means that all these are retained. A value of 9; 0 here requires generated dihedrals be removed if 10; * there are any dihedrals on the same central atoms 11; specified in the residue topology, or 12; * there are other identical generated dihedrals 13; sharing the same central atoms, or 14; * there are other generated dihedrals sharing the 15; same central bond that have fewer hydrogen atoms 16; Column 6 : number of neighbors to exclude from non-bonded interactions 17; Column 7 : 1 = generate 1,4 interactions between pairs of hydrogen atoms 18; 0 = do not generate such 19; Column 8 : 1 = remove proper dihedrals if found centered on the same 20; bond as an improper dihedral 21; 0 = do not generate such 22; bonds angles dihedrals impropers all_dihedrals nrexcl HH14 RemoveDih 23 2 2 1 2 0 3 0 1 24 25[ ACE ] 26 [ atoms ] 27 CA CH3 0.000 0 28 C C 0.380 1 29 O O -0.380 1 30 [ bonds ] 31 C CA gb_26 32 C O gb_4 33 C +N gb_9 34 [ angles ] 35 CA C O ga_30 36 CA C +N ga_18 37 O C +N ga_32 38 [ impropers ] 39 C CA +N O gi_1 40 41[ NH2 ] 42 [ atoms ] 43 N NT -0.83 0 44 H1 H 0.415 0 45 H2 H 0.415 0 46 [ bonds ] 47 N H1 gb_2 48 N H2 gb_2 49 -C N gb_8 50 [ angles ] 51 -O -C N ga_32 52 -CA -C N ga_18 53 -C N H1 ga_22 54 -C N H2 ga_22 55 H1 N H2 ga_23 56 [ dihedrals ] 57 -CA -C N H1 gd_4 58 [ impropers ] 59 -C -O N -CA gi_1 60 N H1 H2 -C gi_1 61 62[ ALA ] 63 [ atoms ] 64 N N -0.28000 0 65 H H 0.28000 0 66 CA CH1 0.00000 1 67 CB CH3 0.00000 1 68 C C 0.380 2 69 O O -0.380 2 70 [ bonds ] 71 N H gb_2 72 N CA gb_20 73 CA C gb_26 74 C O gb_4 75 C +N gb_9 76 CA CB gb_26 77 [ angles ] 78; ai aj ak gromos type 79 -C N H ga_31 80 H N CA ga_17 81 -C N CA ga_30 82 N CA C ga_12 83 CA C +N ga_18 84 CA C O ga_29 85 O C +N ga_32 86 N CA CB ga_12 87 C CA CB ga_12 88 [ impropers ] 89; ai aj ak al gromos type 90 N -C CA H gi_1 91 C CA +N O gi_1 92 CA N C CB gi_2 93 [ dihedrals ] 94; ai aj ak al gromos type 95 -CA -C N CA gd_4 96 -C N CA C gd_19 97 N CA C +N gd_20 98 99[ ARG ] 100 [ atoms ] 101 N N -0.28000 0 102 H H 0.28000 0 103 CA CH1 0.00000 1 104 CB CH2 0.00000 1 105 CG CH2 0.00000 1 106 CD CH2 0.09000 2 107 NE NE -0.11000 2 108 HE H 0.24000 2 109 CZ C 0.34000 2 110 NH1 NZ -0.26000 2 111 HH11 H 0.24000 2 112 HH12 H 0.24000 2 113 NH2 NZ -0.26000 2 114 HH21 H 0.24000 2 115 HH22 H 0.24000 2 116 C C 0.380 3 117 O O -0.380 3 118 [ bonds ] 119 N H gb_2 120 N CA gb_20 121 CA C gb_26 122 C O gb_4 123 C +N gb_9 124 CA CB gb_26 125 CB CG gb_26 126 CG CD gb_26 127 CD NE gb_20 128 NE HE gb_2 129 NE CZ gb_10 130 CZ NH1 gb_10 131 CZ NH2 gb_10 132 NH1 HH11 gb_2 133 NH1 HH12 gb_2 134 NH2 HH21 gb_2 135 NH2 HH22 gb_2 136 [ angles ] 137; ai aj ak gromos type 138 -C N H ga_31 139 H N CA ga_17 140 -C N CA ga_30 141 N CA C ga_12 142 CA C +N ga_18 143 CA C O ga_29 144 O C +N ga_32 145 N CA CB ga_12 146 C CA CB ga_12 147 CA CB CG ga_14 148 CB CG CD ga_14 149 CG CD NE ga_12 150 CD NE HE ga_19 151 HE NE CZ ga_22 152 CD NE CZ ga_32 153 NE CZ NH1 ga_27 154 NE CZ NH2 ga_27 155 NH1 CZ NH2 ga_27 156 CZ NH1 HH11 ga_22 157 CZ NH1 HH12 ga_22 158 HH11 NH1 HH12 ga_23 159 CZ NH2 HH21 ga_22 160 CZ NH2 HH22 ga_22 161 HH21 NH2 HH22 ga_23 162 [ impropers ] 163; ai aj ak al gromos type 164 N -C CA H gi_1 165 C CA +N O gi_1 166 CA N C CB gi_2 167 NE CD CZ HE gi_1 168 CZ NH1 NH2 NE gi_1 169 NH1 HH11 HH12 CZ gi_1 170 NH2 HH21 HH22 CZ gi_1 171 [ dihedrals ] 172; ai aj ak al gromos type 173 -CA -C N CA gd_4 174 -C N CA C gd_19 175 N CA C +N gd_20 176 N CA CB CG gd_17 177 CA CB CG CD gd_17 178 CB CG CD NE gd_17 179 CG CD NE CZ gd_19 180 CD NE CZ NH1 gd_4 181 NE CZ NH1 HH11 gd_4 182 NE CZ NH2 HH21 gd_4 183 184[ ARGN ] 185 [ atoms ] 186 N N -0.28000 0 187 H H 0.28000 0 188 CA CH1 0.00000 1 189 CB CH2 0.00000 1 190 CG CH2 0.00000 2 191 CD CH2 0.00000 2 192 NE NE -0.28000 3 193 HE H 0.28000 3 194 CZ C 0.15000 4 195 NH1 NE -0.54800 4 196 HH1 H 0.39800 4 197 NH2 NZ -0.83000 5 198 HH21 H 0.41500 5 199 HH22 H 0.41500 5 200 C C 0.380 6 201 O O -0.380 6 202 [ bonds ] 203 N H gb_2 204 N CA gb_20 205 CA C gb_26 206 C O gb_4 207 C +N gb_9 208 CA CB gb_26 209 CB CG gb_26 210 CG CD gb_26 211 CD NE gb_20 212 NE HE gb_2 213 NE CZ gb_10 214 CZ NH1 gb_10 215 CZ NH2 gb_10 216 NH1 HH1 gb_2 217 NH2 HH21 gb_2 218 NH2 HH22 gb_2 219 [ angles ] 220; ai aj ak gromos type 221 -C N H ga_31 222 H N CA ga_17 223 -C N CA ga_30 224 N CA C ga_12 225 CA C +N ga_18 226 CA C O ga_29 227 O C +N ga_32 228 N CA CB ga_12 229 C CA CB ga_12 230 CA CB CG ga_14 231 CB CG CD ga_14 232 CG CD NE ga_12 233 CD NE HE ga_19 234 HE NE CZ ga_22 235 CD NE CZ ga_32 236 NE CZ NH1 ga_27 237 NE CZ NH2 ga_27 238 NH1 CZ NH2 ga_27 239 CZ NH1 HH1 ga_22 240 CZ NH2 HH21 ga_22 241 CZ NH2 HH22 ga_22 242 HH21 NH2 HH22 ga_23 243 [ impropers ] 244; ai aj ak al gromos type 245 N -C CA H gi_1 246 C CA +N O gi_1 247 CA N C CB gi_2 248 NE CD CZ HE gi_1 249 CZ NH1 NH2 NE gi_1 250 NH2 HH21 HH22 CZ gi_1 251 [ dihedrals ] 252; ai aj ak al gromos type 253 -CA -C N CA gd_4 254 -C N CA C gd_19 255 N CA C +N gd_20 256 N CA CB CG gd_17 257 CA CB CG CD gd_17 258 CB CG CD NE gd_17 259 CG CD NE CZ gd_19 260 CD NE CZ NH1 gd_4 261 NE CZ NH1 HH1 gd_4 262 NE CZ NH2 HH21 gd_4 263 264[ ASN ] 265 [ atoms ] 266 N N -0.28000 0 267 H H 0.28000 0 268 CA CH1 0.00000 1 269 CB CH2 0.00000 1 270 CG C 0.38000 2 271 OD1 O -0.38000 2 272 ND2 NT -0.83000 3 273 HD21 H 0.41500 3 274 HD22 H 0.41500 3 275 C C 0.380 4 276 O O -0.380 4 277 [ bonds ] 278 N H gb_2 279 N CA gb_20 280 CA C gb_26 281 C O gb_4 282 C +N gb_9 283 CA CB gb_26 284 CB CG gb_26 285 CG OD1 gb_4 286 CG ND2 gb_8 287 ND2 HD21 gb_2 288 ND2 HD22 gb_2 289 [ angles ] 290; ai aj ak gromos type 291 -C N H ga_31 292 H N CA ga_17 293 -C N CA ga_30 294 N CA C ga_12 295 CA C +N ga_18 296 CA C O ga_29 297 O C +N ga_32 298 N CA CB ga_12 299 C CA CB ga_12 300 CA CB CG ga_14 301 CB CG OD1 ga_29 302 CB CG ND2 ga_18 303 OD1 CG ND2 ga_32 304 CG ND2 HD21 ga_22 305 CG ND2 HD22 ga_22 306 HD21 ND2 HD22 ga_23 307 [ impropers ] 308; ai aj ak al gromos type 309 N -C CA H gi_1 310 C CA +N O gi_1 311 CA N C CB gi_2 312 CG OD1 ND2 CB gi_1 313 ND2 HD21 HD22 CG gi_1 314 [ dihedrals ] 315; ai aj ak al gromos type 316 -CA -C N CA gd_4 317 -C N CA C gd_19 318 N CA C +N gd_20 319 N CA CB CG gd_17 320 CA CB CG ND2 gd_20 321 CB CG ND2 HD21 gd_4 322 323[ ASN1 ] 324 [ atoms ] 325 N N -0.28000 0 326 H H 0.28000 0 327 CA CH1 0.00000 1 328 CB CH2 0.00000 1 329 CG C 0.38000 2 330 OD1 O -0.38000 2 331 ND2 NL -0.83000 3 332 HD21 H 0.41500 3 333 HD22 H 0.41500 3 334 C C 0.380 4 335 O O -0.380 4 336 [ bonds ] 337 N H gb_2 338 N CA gb_20 339 CA C gb_26 340 C O gb_4 341 C +N gb_9 342 CA CB gb_26 343 CB CG gb_26 344 CG OD1 gb_4 345 CG ND2 gb_8 346 ND2 HD21 gb_2 347 ND2 HD22 gb_2 348 [ angles ] 349; ai aj ak gromos type 350 -C N H ga_31 351 H N CA ga_17 352 -C N CA ga_30 353 N CA C ga_12 354 CA C +N ga_18 355 CA C O ga_29 356 O C +N ga_32 357 N CA CB ga_12 358 C CA CB ga_12 359 CA CB CG ga_14 360 CB CG OD1 ga_29 361 CB CG ND2 ga_18 362 OD1 CG ND2 ga_32 363 CG ND2 HD21 ga_22 364 CG ND2 HD22 ga_22 365 HD21 ND2 HD22 ga_23 366 [ impropers ] 367; ai aj ak al gromos type 368 N -C CA H gi_1 369 C CA +N O gi_1 370 CA N C CB gi_2 371 CG OD1 ND2 CB gi_1 372 ND2 HD21 HD22 CG gi_1 373 [ dihedrals ] 374; ai aj ak al gromos type 375 -CA -C N CA gd_4 376 -C N CA C gd_19 377 N CA C +N gd_20 378 N CA CB CG gd_17 379 CA CB CG ND2 gd_20 380 CB CG ND2 HD21 gd_4 381 382[ ASP ] 383 [ atoms ] 384 N N -0.28000 0 385 H H 0.28000 0 386 CA CH1 0.00000 1 387 CB CH2 0.00000 1 388 CG C 0.27000 2 389 OD1 OM -0.63500 2 390 OD2 OM -0.63500 2 391 C C 0.380 3 392 O O -0.380 3 393 [ bonds ] 394 N H gb_2 395 N CA gb_20 396 CA C gb_26 397 C O gb_4 398 C +N gb_9 399 CA CB gb_26 400 CB CG gb_26 401 CG OD1 gb_5 402 CG OD2 gb_5 403 [ angles ] 404; ai aj ak gromos type 405 -C N H ga_31 406 H N CA ga_17 407 -C N CA ga_30 408 N CA C ga_12 409 CA C +N ga_18 410 CA C O ga_29 411 O C +N ga_32 412 N CA CB ga_12 413 C CA CB ga_12 414 CA CB CG ga_14 415 CB CG OD1 ga_21 416 CB CG OD2 ga_21 417 OD1 CG OD2 ga_37 418 [ impropers ] 419; ai aj ak al gromos type 420 N -C CA H gi_1 421 C CA +N O gi_1 422 CA N C CB gi_2 423 CG OD1 OD2 CB gi_1 424 [ dihedrals ] 425; ai aj ak al gromos type 426 -CA -C N CA gd_4 427 -C N CA C gd_19 428 N CA C +N gd_20 429 N CA CB CG gd_17 430 CA CB CG OD1 gd_20 431 432[ ASPH ] 433 [ atoms ] 434 N N -0.28000 0 435 H H 0.28000 0 436 CA CH1 0.00000 1 437 CB CH2 0.00000 1 438 CG C 0.53000 2 439 OD1 O -0.38000 2 440 OD2 OA -0.54800 2 441 HD2 H 0.39800 2 442 C C 0.380 3 443 O O -0.380 3 444 [ bonds ] 445 N H gb_2 446 N CA gb_20 447 CA C gb_26 448 C O gb_4 449 C +N gb_9 450 CA CB gb_26 451 CB CG gb_26 452 CG OD1 gb_4 453 CG OD2 gb_12 454 OD2 HD2 gb_1 455 [ angles ] 456; ai aj ak gromos type 457 -C N H ga_31 458 H N CA ga_17 459 -C N CA ga_30 460 N CA C ga_12 461 CA C +N ga_18 462 CA C O ga_29 463 O C +N ga_32 464 N CA CB ga_12 465 C CA CB ga_12 466 CA CB CG ga_14 467 CB CG OD1 ga_29 468 CB CG OD2 ga_18 469 OD1 CG OD2 ga_32 470 CG OD2 HD2 ga_11 471 [ impropers ] 472; ai aj ak al gromos type 473 N -C CA H gi_1 474 C CA +N O gi_1 475 CA N C CB gi_2 476 CG OD1 OD2 CB gi_1 477 [ dihedrals ] 478; ai aj ak al gromos type 479 -CA -C N CA gd_4 480 -C N CA C gd_19 481 N CA C +N gd_20 482 N CA CB CG gd_17 483 CA CB CG OD2 gd_20 484 CB CG OD2 HD2 gd_3 485 486[ CYS ] 487 [ atoms ] 488 N N -0.28000 0 489 H H 0.28000 0 490 CA CH1 0.00000 1 491 CB CH2 -0.10000 2 492 SG S -0.40000 2 493 C C 0.380 3 494 O O -0.380 3 495 [ bonds ] 496 N H gb_2 497 N CA gb_20 498 CA C gb_26 499 C O gb_4 500 C +N gb_9 501 CA CB gb_26 502 CB SG gb_30 503 [ angles ] 504; ai aj ak gromos type 505 -C N H ga_31 506 H N CA ga_17 507 -C N CA ga_30 508 N CA C ga_12 509 CA C +N ga_18 510 CA C O ga_29 511 O C +N ga_32 512 N CA CB ga_12 513 C CA CB ga_12 514 CA CB SG ga_15 515 [ impropers ] 516; ai aj ak al gromos type 517 N -C CA H gi_1 518 C CA +N O gi_1 519 CA N C CB gi_2 520 [ dihedrals ] 521; ai aj ak al gromos type 522 -CA -C N CA gd_4 523 -C N CA C gd_19 524 N CA C +N gd_20 525 N CA CB SG gd_17 526 527[ CYSH ] 528 [ atoms ] 529 N N -0.28000 0 530 H H 0.28000 0 531 CA CH1 0.00000 1 532 CB CH2 0.00000 1 533 SG S -0.06400 2 534 HG H 0.06400 2 535 C C 0.380 3 536 O O -0.380 3 537 [ bonds ] 538 N H gb_2 539 N CA gb_20 540 CA C gb_26 541 C O gb_4 542 C +N gb_9 543 CA CB gb_26 544 CB SG gb_30 545 SG HG gb_7 546 [ angles ] 547; ai aj ak gromos type 548 -C N H ga_31 549 H N CA ga_17 550 -C N CA ga_30 551 N CA C ga_12 552 CA C +N ga_18 553 CA C O ga_29 554 O C +N ga_32 555 N CA CB ga_12 556 C CA CB ga_12 557 CA CB SG ga_15 558 CB SG HG ga_2 559 [ impropers ] 560; ai aj ak al gromos type 561 N -C CA H gi_1 562 C CA +N O gi_1 563 CA N C CB gi_2 564 [ dihedrals ] 565; ai aj ak al gromos type 566 -CA -C N CA gd_4 567 -C N CA C gd_19 568 N CA C +N gd_20 569 N CA CB SG gd_17 570 CA CB SG HG gd_13 571 572[ CYS1 ] 573 [ atoms ] 574 N N -0.28000 0 575 H H 0.28000 0 576 CA CH1 0.00000 1 577 CB CH2 0.00000 1 578 SG S 0.00000 1 579 C C 0.380 2 580 O O -0.380 2 581 [ bonds ] 582 N H gb_2 583 N CA gb_20 584 CA C gb_26 585 C O gb_4 586 C +N gb_9 587 CA CB gb_26 588 CB SG gb_30 589 [ angles ] 590; ai aj ak gromos type 591 -C N H ga_31 592 H N CA ga_17 593 -C N CA ga_30 594 N CA C ga_12 595 CA C +N ga_18 596 CA C O ga_29 597 O C +N ga_32 598 N CA CB ga_12 599 C CA CB ga_12 600 CA CB SG ga_15 601 [ impropers ] 602; ai aj ak al gromos type 603 N -C CA H gi_1 604 C CA +N O gi_1 605 CA N C CB gi_2 606 [ dihedrals ] 607; ai aj ak al gromos type 608 -CA -C N CA gd_4 609 -C N CA C gd_19 610 N CA C +N gd_20 611 N CA CB SG gd_17 612 613[ CYS2 ] 614 [ atoms ] 615 N N -0.28000 0 616 H H 0.28000 0 617 CA CH1 0.00000 1 618 CB CH2 0.00000 1 619 SG S 0.00000 1 620 C C 0.380 2 621 O O -0.380 2 622 [ bonds ] 623 N H gb_2 624 N CA gb_20 625 CA C gb_26 626 C O gb_4 627 C +N gb_9 628 CA CB gb_26 629 CB SG gb_30 630 [ angles ] 631; ai aj ak gromos type 632 -C N H ga_31 633 H N CA ga_17 634 -C N CA ga_30 635 N CA C ga_12 636 CA C +N ga_18 637 CA C O ga_29 638 O C +N ga_32 639 N CA CB ga_12 640 C CA CB ga_12 641 CA CB SG ga_15 642 [ impropers ] 643; ai aj ak al gromos type 644 N -C CA H gi_1 645 C CA +N O gi_1 646 CA N C CB gi_2 647 [ dihedrals ] 648; ai aj ak al gromos type 649 -CA -C N CA gd_4 650 -C N CA C gd_19 651 N CA C +N gd_20 652 N CA CB SG gd_17 653 654[ GLN ] 655 [ atoms ] 656 N N -0.28000 0 657 H H 0.28000 0 658 CA CH1 0.00000 1 659 CB CH2 0.00000 1 660 CG CH2 0.00000 1 661 CD C 0.38000 2 662 OE1 O -0.38000 2 663 NE2 NT -0.83000 3 664 HE21 H 0.41500 3 665 HE22 H 0.41500 3 666 C C 0.380 4 667 O O -0.380 4 668 [ bonds ] 669 N H gb_2 670 N CA gb_20 671 CA C gb_26 672 C O gb_4 673 C +N gb_9 674 CA CB gb_26 675 CB CG gb_26 676 CG CD gb_26 677 CD OE1 gb_4 678 CD NE2 gb_8 679 NE2 HE21 gb_2 680 NE2 HE22 gb_2 681 [ angles ] 682; ai aj ak gromos type 683 -C N H ga_31 684 H N CA ga_17 685 -C N CA ga_30 686 N CA C ga_12 687 CA C +N ga_18 688 CA C O ga_29 689 O C +N ga_32 690 N CA CB ga_12 691 C CA CB ga_12 692 CA CB CG ga_14 693 CB CG CD ga_14 694 CG CD OE1 ga_29 695 CG CD NE2 ga_18 696 OE1 CD NE2 ga_32 697 CD NE2 HE21 ga_22 698 CD NE2 HE22 ga_22 699 HE21 NE2 HE22 ga_23 700 [ impropers ] 701; ai aj ak al gromos type 702 N -C CA H gi_1 703 C CA +N O gi_1 704 CA N C CB gi_2 705 CD OE1 NE2 CG gi_1 706 NE2 HE21 HE22 CD gi_1 707 [ dihedrals ] 708; ai aj ak al gromos type 709 -CA -C N CA gd_4 710 -C N CA C gd_19 711 N CA C +N gd_20 712 N CA CB CG gd_17 713 CA CB CG CD gd_17 714 CB CG CD NE2 gd_20 715 CG CD NE2 HE21 gd_4 716 717[ GLU ] 718 [ atoms ] 719 N N -0.28000 0 720 H H 0.28000 0 721 CA CH1 0.00000 1 722 CB CH2 0.00000 1 723 CG CH2 0.00000 1 724 CD C 0.27000 2 725 OE1 OM -0.63500 2 726 OE2 OM -0.63500 2 727 C C 0.380 3 728 O O -0.380 3 729 [ bonds ] 730 N H gb_2 731 N CA gb_20 732 CA C gb_26 733 C O gb_4 734 C +N gb_9 735 CA CB gb_26 736 CB CG gb_26 737 CG CD gb_26 738 CD OE1 gb_5 739 CD OE2 gb_5 740 [ angles ] 741; ai aj ak gromos type 742 -C N H ga_31 743 H N CA ga_17 744 -C N CA ga_30 745 N CA C ga_12 746 CA C +N ga_18 747 CA C O ga_29 748 O C +N ga_32 749 N CA CB ga_12 750 C CA CB ga_12 751 CA CB CG ga_14 752 CB CG CD ga_14 753 CG CD OE1 ga_21 754 CG CD OE2 ga_21 755 OE1 CD OE2 ga_37 756 [ impropers ] 757; ai aj ak al gromos type 758 N -C CA H gi_1 759 C CA +N O gi_1 760 CA N C CB gi_2 761 CD OE1 OE2 CG gi_1 762 [ dihedrals ] 763; ai aj ak al gromos type 764 -CA -C N CA gd_4 765 -C N CA C gd_19 766 N CA C +N gd_20 767 N CA CB CG gd_17 768 CA CB CG CD gd_17 769 CB CG CD OE2 gd_20 770 771[ GLUH ] 772 [ atoms ] 773 N N -0.28000 0 774 H H 0.28000 0 775 CA CH1 0.00000 1 776 CB CH2 0.00000 1 777 CG CH2 0.00000 1 778 CD C 0.53000 2 779 OE1 O -0.38000 2 780 OE2 OA -0.54800 2 781 HE2 H 0.39800 2 782 C C 0.380 3 783 O O -0.380 3 784 [ bonds ] 785 N H gb_2 786 N CA gb_20 787 CA C gb_26 788 C O gb_4 789 C +N gb_9 790 CA CB gb_26 791 CB CG gb_26 792 CG CD gb_26 793 CD OE1 gb_4 794 CD OE2 gb_12 795 OE2 HE2 gb_1 796 [ angles ] 797; ai aj ak gromos type 798 -C N H ga_31 799 H N CA ga_17 800 -C N CA ga_30 801 N CA C ga_12 802 CA C +N ga_18 803 CA C O ga_29 804 O C +N ga_32 805 N CA CB ga_12 806 C CA CB ga_12 807 CA CB CG ga_14 808 CB CG CD ga_14 809 CG CD OE1 ga_29 810 CG CD OE2 ga_18 811 OE1 CD OE2 ga_32 812 CD OE2 HE2 ga_11 813 [ impropers ] 814; ai aj ak al gromos type 815 N -C CA H gi_1 816 C CA +N O gi_1 817 CA N C CB gi_2 818 CD OE1 OE2 CG gi_1 819 [ dihedrals ] 820; ai aj ak al gromos type 821 -CA -C N CA gd_4 822 -C N CA C gd_19 823 N CA C +N gd_20 824 N CA CB CG gd_17 825 CA CB CG CD gd_17 826 CB CG CD OE2 gd_20 827 CG CD OE2 HE2 gd_3 828 829[ GLY ] 830 [ atoms ] 831 N N -0.28000 0 832 H H 0.28000 0 833 CA CH2 0.00000 1 834 C C 0.380 2 835 O O -0.380 2 836 [ bonds ] 837 N H gb_2 838 N CA gb_20 839 CA C gb_26 840 C O gb_4 841 C +N gb_9 842 [ angles ] 843; ai aj ak gromos type 844 -C N H ga_31 845 H N CA ga_17 846 -C N CA ga_30 847 N CA C ga_12 848 CA C +N ga_18 849 CA C O ga_29 850 O C +N ga_32 851 [ impropers ] 852; ai aj ak al gromos type 853 N -C CA H gi_1 854 C CA +N O gi_1 855 [ dihedrals ] 856; ai aj ak al gromos type 857 -CA -C N CA gd_4 858 -C N CA C gd_19 859 N CA C +N gd_20 860 861[ HISA ] 862 [ atoms ] 863 N N -0.28000 0 864 H H 0.28000 0 865 CA CH1 0.00000 1 866 CB CH2 0.00000 1 867 CG C 0.00000 2 868 ND1 NR 0.00000 2 869 HD1 H 0.19000 2 870 CD2 CR1 0.13000 2 871 CE1 CR1 0.26000 2 872 NE2 NR -0.58000 2 873 C C 0.380 3 874 O O -0.380 3 875 [ bonds ] 876 N H gb_2 877 N CA gb_20 878 CA C gb_26 879 C O gb_4 880 C +N gb_9 881 CA CB gb_26 882 CB CG gb_26 883 CG ND1 gb_9 884 CG CD2 gb_9 885 ND1 HD1 gb_2 886 ND1 CE1 gb_9 887 CD2 NE2 gb_9 888 CE1 NE2 gb_9 889 [ exclusions ] 890; ai aj 891 CB HD1 892 CB CE1 893 CB NE2 894 HD1 CD2 895 HD1 NE2 896 [ angles ] 897; ai aj ak gromos type 898 -C N H ga_31 899 H N CA ga_17 900 -C N CA ga_30 901 N CA C ga_12 902 CA C +N ga_18 903 CA C O ga_29 904 O C +N ga_32 905 N CA CB ga_12 906 C CA CB ga_12 907 CA CB CG ga_14 908 CB CG ND1 ga_36 909 CB CG CD2 ga_36 910 ND1 CG CD2 ga_6 911 CG ND1 HD1 ga_35 912 CG ND1 CE1 ga_6 913 HD1 ND1 CE1 ga_35 914 CG CD2 NE2 ga_6 915 ND1 CE1 NE2 ga_6 916 CD2 NE2 CE1 ga_6 917 [ impropers ] 918; ai aj ak al gromos type 919 N -C CA H gi_1 920 C CA +N O gi_1 921 CA N C CB gi_2 922 CG ND1 CD2 CB gi_1 923 CD2 CG ND1 CE1 gi_1 924 ND1 CG CD2 NE2 gi_1 925 CG ND1 CE1 NE2 gi_1 926 CG CD2 NE2 CE1 gi_1 927 CD2 NE2 CE1 ND1 gi_1 928 ND1 CG CE1 HD1 gi_1 929 [ dihedrals ] 930; ai aj ak al gromos type 931 -CA -C N CA gd_4 932 -C N CA C gd_19 933 N CA C +N gd_20 934 N CA CB CG gd_17 935 CA CB CG ND1 gd_20 936 937[ HISB ] 938 [ atoms ] 939 N N -0.28000 0 940 H H 0.28000 0 941 CA CH1 0.00000 1 942 CB CH2 0.00000 1 943 CG C 0.13000 2 944 ND1 NR -0.58000 2 945 CD2 CR1 0.00000 2 946 CE1 CR1 0.26000 2 947 NE2 NR 0.00000 2 948 HE2 H 0.19000 2 949 C C 0.380 3 950 O O -0.380 3 951 [ bonds ] 952 N H gb_2 953 N CA gb_20 954 CA C gb_26 955 C O gb_4 956 C +N gb_9 957 CA CB gb_26 958 CB CG gb_26 959 CG ND1 gb_9 960 CG CD2 gb_9 961 ND1 CE1 gb_9 962 CD2 NE2 gb_9 963 CE1 NE2 gb_9 964 NE2 HE2 gb_2 965 [ exclusions ] 966; ai aj 967 CB CE1 968 CB NE2 969 CG HE2 970 ND1 HE2 971 [ angles ] 972; ai aj ak gromos type 973 -C N H ga_31 974 H N CA ga_17 975 -C N CA ga_30 976 N CA C ga_12 977 CA C +N ga_18 978 CA C O ga_29 979 O C +N ga_32 980 N CA CB ga_12 981 C CA CB ga_12 982 CA CB CG ga_14 983 CB CG ND1 ga_36 984 CB CG CD2 ga_36 985 ND1 CG CD2 ga_6 986 CG ND1 CE1 ga_6 987 CG CD2 NE2 ga_6 988 ND1 CE1 NE2 ga_6 989 CD2 NE2 CE1 ga_6 990 CD2 NE2 HE2 ga_35 991 CE1 NE2 HE2 ga_35 992 [ impropers ] 993; ai aj ak al gromos type 994 N -C CA H gi_1 995 C CA +N O gi_1 996 CA N C CB gi_2 997 CG ND1 CD2 CB gi_1 998 CD2 CG ND1 CE1 gi_1 999 ND1 CG CD2 NE2 gi_1 1000 CG ND1 CE1 NE2 gi_1 1001 CG CD2 NE2 CE1 gi_1 1002 CD2 NE2 CE1 ND1 gi_1 1003 NE2 CD2 CE1 HE2 gi_1 1004 [ dihedrals ] 1005; ai aj ak al gromos type 1006 -CA -C N CA gd_4 1007 -C N CA C gd_19 1008 N CA C +N gd_20 1009 N CA CB CG gd_17 1010 CA CB CG ND1 gd_20 1011 1012[ HISH ] 1013 [ atoms ] 1014 N N -0.28000 0 1015 H H 0.28000 0 1016 CA CH1 0.00000 1 1017 CB CH2 0.00000 1 1018 CG C -0.05000 2 1019 ND1 NR 0.38000 2 1020 HD1 H 0.30000 2 1021 CD2 CR1 0.00000 2 1022 CE1 CR1 -0.24000 2 1023 NE2 NR 0.31000 2 1024 HE2 H 0.30000 2 1025 C C 0.380 3 1026 O O -0.380 3 1027 [ bonds ] 1028 N H gb_2 1029 N CA gb_20 1030 CA C gb_26 1031 C O gb_4 1032 C +N gb_9 1033 CA CB gb_26 1034 CB CG gb_26 1035 CG ND1 gb_9 1036 CG CD2 gb_9 1037 ND1 HD1 gb_2 1038 ND1 CE1 gb_9 1039 CD2 NE2 gb_9 1040 CE1 NE2 gb_9 1041 NE2 HE2 gb_2 1042 [ exclusions ] 1043; ai aj 1044 CB HD1 1045 CB CE1 1046 CB NE2 1047 CG HE2 1048 ND1 HE2 1049 HD1 CD2 1050 HD1 NE2 1051 [ angles ] 1052; ai aj ak gromos type 1053 -C N H ga_31 1054 H N CA ga_17 1055 -C N CA ga_30 1056 N CA C ga_12 1057 CA C +N ga_18 1058 CA C O ga_29 1059 O C +N ga_32 1060 N CA CB ga_12 1061 C CA CB ga_12 1062 CA CB CG ga_14 1063 CB CG ND1 ga_36 1064 CB CG CD2 ga_36 1065 ND1 CG CD2 ga_6 1066 CG ND1 HD1 ga_35 1067 CG ND1 CE1 ga_6 1068 HD1 ND1 CE1 ga_35 1069 CG CD2 NE2 ga_6 1070 ND1 CE1 NE2 ga_6 1071 CD2 NE2 CE1 ga_6 1072 CD2 NE2 HE2 ga_35 1073 CE1 NE2 HE2 ga_35 1074 [ impropers ] 1075; ai aj ak al gromos type 1076 N -C CA H gi_1 1077 C CA +N O gi_1 1078 CA N C CB gi_2 1079 CG ND1 CD2 CB gi_1 1080 CD2 CG ND1 CE1 gi_1 1081 ND1 CG CD2 NE2 gi_1 1082 CG ND1 CE1 NE2 gi_1 1083 CG CD2 NE2 CE1 gi_1 1084 CD2 NE2 CE1 ND1 gi_1 1085 ND1 CG CE1 HD1 gi_1 1086 NE2 CD2 CE1 HE2 gi_1 1087 [ dihedrals ] 1088; ai aj ak al gromos type 1089 -CA -C N CA gd_4 1090 -C N CA C gd_19 1091 N CA C +N gd_20 1092 N CA CB CG gd_17 1093 CA CB CG ND1 gd_20 1094 1095[ HIS1 ] 1096 [ atoms ] 1097 N N -0.28000 0 1098 H H 0.28000 0 1099 CA CH1 0.00000 1 1100 CB CH2 0.00000 1 1101 CG C 0.00000 2 1102 ND1 NR 0.00000 2 1103 HD1 H 0.19000 2 1104 CD2 CR1 0.13000 2 1105 CE1 CR1 0.26000 2 1106 NE2 NR -0.58000 2 1107 C C 0.380 3 1108 O O -0.380 3 1109 [ bonds ] 1110 N H gb_2 1111 N CA gb_20 1112 CA C gb_26 1113 C O gb_4 1114 C +N gb_9 1115 CA CB gb_26 1116 CB CG gb_26 1117 CG ND1 gb_9 1118 CG CD2 gb_9 1119 ND1 HD1 gb_2 1120 ND1 CE1 gb_9 1121 CD2 NE2 gb_9 1122 CE1 NE2 gb_9 1123 [ exclusions ] 1124; ai aj 1125 CB HD1 1126 CB CE1 1127 CB NE2 1128 HD1 CD2 1129 HD1 NE2 1130 [ angles ] 1131; ai aj ak gromos type 1132 -C N H ga_31 1133 H N CA ga_17 1134 -C N CA ga_30 1135 N CA C ga_12 1136 CA C +N ga_18 1137 CA C O ga_29 1138 O C +N ga_32 1139 N CA CB ga_12 1140 C CA CB ga_12 1141 CA CB CG ga_14 1142 CB CG ND1 ga_36 1143 CB CG CD2 ga_36 1144 ND1 CG CD2 ga_6 1145 CG ND1 HD1 ga_35 1146 CG ND1 CE1 ga_6 1147 HD1 ND1 CE1 ga_35 1148 CG CD2 NE2 ga_6 1149 ND1 CE1 NE2 ga_6 1150 CD2 NE2 CE1 ga_6 1151 CD2 NE2 -C ga_33 1152 CE1 NE2 -C ga_33 1153 NE2 -C -CA ga_16 1154 [ impropers ] 1155; ai aj ak al gromos type 1156 N -C CA H gi_1 1157 C CA +N O gi_1 1158 CA N C CB gi_2 1159 CG ND1 CD2 CB gi_1 1160 CD2 CG ND1 CE1 gi_1 1161 ND1 CG CD2 NE2 gi_1 1162 CG ND1 CE1 NE2 gi_1 1163 CG CD2 NE2 CE1 gi_1 1164 CD2 NE2 CE1 ND1 gi_1 1165 ND1 CG CE1 HD1 gi_1 1166 [ dihedrals ] 1167; ai aj ak al gromos type 1168 -CA -C N CA gd_4 1169 -C N CA C gd_19 1170 N CA C +N gd_20 1171 N CA CB CG gd_17 1172 CA CB CG ND1 gd_20 1173 CD2 NE2 -C -CA gd_18 1174 1175[ HYP ] 1176 [ atoms ] 1177 N N 0.00000 0 1178 CA CH1 0.00000 1 1179 CB CH2 0.00000 1 1180 CG CH1 0.15000 2 1181 OD1 OA -0.54800 2 1182 HD1 H 0.39800 2 1183 CD2 CH2 0.00000 3 1184 C C 0.380 4 1185 O O -0.380 4 1186 [ bonds ] 1187 N CA gb_20 1188 CA C gb_26 1189 C O gb_4 1190 C +N gb_9 1191 CA CB gb_26 1192 CB CG gb_26 1193 CG OD1 gb_17 1194 OD1 HD1 gb_1 1195 CG CD2 gb_26 1196 CD2 N gb_20 1197 [ angles ] 1198; ai aj ak gromos type 1199 -C N CA ga_30 1200 N CA C ga_12 1201 CA C +N ga_18 1202 CA C O ga_29 1203 O C +N ga_32 1204 N CA CB ga_12 1205 C CA CB ga_12 1206 CA CB CG ga_12 1207 CB CG OD1 ga_12 1208 CB CG CD2 ga_12 1209 CG OD1 HD1 ga_11 1210 OD1 CG CD2 ga_12 1211 CG CD2 N ga_12 1212 CD2 N CA ga_20 1213 -C N CD2 ga_30 1214 [ impropers ] 1215; ai aj ak al gromos type 1216 N -C CA CD2 gi_1 1217 C CA +N O gi_1 1218 CA N C CB gi_2 1219 CG CD2 CB OD1 gi_2 1220 [ dihedrals ] 1221; ai aj ak al gromos type 1222 -CA -C N CA gd_4 1223 -C N CA C gd_19 1224 N CA C +N gd_20 1225 N CA CB CG gd_17 1226 CA CB CG CD2 gd_17 1227 CB CG CD2 N gd_17 1228 CG CD2 N CA gd_19 1229 CB CG OD1 HD1 gd_12 1230 1231[ ILE ] 1232 [ atoms ] 1233 N N -0.28000 0 1234 H H 0.28000 0 1235 CA CH1 0.00000 1 1236 CB CH1 0.00000 2 1237 CG1 CH2 0.00000 2 1238 CG2 CH3 0.00000 2 1239 CD CH3 0.00000 2 1240 C C 0.380 3 1241 O O -0.380 3 1242 [ bonds ] 1243 N H gb_2 1244 N CA gb_20 1245 CA C gb_26 1246 C O gb_4 1247 C +N gb_9 1248 CA CB gb_26 1249 CB CG1 gb_26 1250 CB CG2 gb_26 1251 CG1 CD gb_26 1252 [ angles ] 1253; ai aj ak gromos type 1254 -C N H ga_31 1255 H N CA ga_17 1256 -C N CA ga_30 1257 N CA C ga_12 1258 CA C +N ga_18 1259 CA C O ga_29 1260 O C +N ga_32 1261 N CA CB ga_12 1262 C CA CB ga_12 1263 CA CB CG1 ga_14 1264 CA CB CG2 ga_14 1265 CG1 CB CG2 ga_14 1266 CB CG1 CD ga_14 1267 [ impropers ] 1268; ai aj ak al gromos type 1269 N -C CA H gi_1 1270 C CA +N O gi_1 1271 CA N C CB gi_2 1272 CB CG1 CG2 CA gi_2 1273 [ dihedrals ] 1274; ai aj ak al gromos type 1275 -CA -C N CA gd_4 1276 -C N CA C gd_19 1277 N CA C +N gd_20 1278 N CA CB CG1 gd_17 1279 CA CB CG1 CD gd_17 1280 1281[ LEU ] 1282 [ atoms ] 1283 N N -0.28000 0 1284 H H 0.28000 0 1285 CA CH1 0.00000 1 1286 CB CH2 0.00000 1 1287 CG CH1 0.00000 2 1288 CD1 CH3 0.00000 2 1289 CD2 CH3 0.00000 2 1290 C C 0.380 3 1291 O O -0.380 3 1292 [ bonds ] 1293 N H gb_2 1294 N CA gb_20 1295 CA C gb_26 1296 C O gb_4 1297 C +N gb_9 1298 CA CB gb_26 1299 CB CG gb_26 1300 CG CD1 gb_26 1301 CG CD2 gb_26 1302 [ angles ] 1303; ai aj ak gromos type 1304 -C N H ga_31 1305 H N CA ga_17 1306 -C N CA ga_30 1307 N CA C ga_12 1308 CA C +N ga_18 1309 CA C O ga_29 1310 O C +N ga_32 1311 N CA CB ga_12 1312 C CA CB ga_12 1313 CA CB CG ga_14 1314 CB CG CD1 ga_14 1315 CB CG CD2 ga_14 1316 CD1 CG CD2 ga_14 1317 [ impropers ] 1318; ai aj ak al gromos type 1319 N -C CA H gi_1 1320 C CA +N O gi_1 1321 CA N C CB gi_2 1322 CG CD2 CD1 CB gi_2 1323 [ dihedrals ] 1324; ai aj ak al gromos type 1325 -CA -C N CA gd_4 1326 -C N CA C gd_19 1327 N CA C +N gd_20 1328 N CA CB CG gd_17 1329 CA CB CG CD1 gd_17 1330 1331[ LYS ] 1332 [ atoms ] 1333 N N -0.28000 0 1334 H H 0.28000 0 1335 CA CH1 0.00000 1 1336 CB CH2 0.00000 1 1337 CG CH2 0.00000 2 1338 CD CH2 0.00000 2 1339 CE CH2 0.00000 3 1340 NZ NT -0.83000 3 1341 HZ1 H 0.41500 3 1342 HZ2 H 0.41500 3 1343 C C 0.380 4 1344 O O -0.380 4 1345 [ bonds ] 1346 N H gb_2 1347 N CA gb_20 1348 CA C gb_26 1349 C O gb_4 1350 C +N gb_9 1351 CA CB gb_26 1352 CB CG gb_26 1353 CG CD gb_26 1354 CD CE gb_26 1355 CE NZ gb_20 1356 NZ HZ1 gb_2 1357 NZ HZ2 gb_2 1358 [ angles ] 1359; ai aj ak gromos type 1360 -C N H ga_31 1361 H N CA ga_17 1362 -C N CA ga_30 1363 N CA C ga_12 1364 CA C +N ga_18 1365 CA C O ga_29 1366 O C +N ga_32 1367 N CA CB ga_12 1368 C CA CB ga_12 1369 CA CB CG ga_14 1370 CB CG CD ga_14 1371 CG CD CE ga_14 1372 CD CE NZ ga_14 1373 CE NZ HZ1 ga_10 1374 CE NZ HZ2 ga_10 1375 HZ1 NZ HZ2 ga_9 1376 [ impropers ] 1377; ai aj ak al gromos type 1378 N -C CA H gi_1 1379 C CA +N O gi_1 1380 CA N C CB gi_2 1381 [ dihedrals ] 1382; ai aj ak al gromos type 1383 -CA -C N CA gd_4 1384 -C N CA C gd_19 1385 N CA C +N gd_20 1386 N CA CB CG gd_17 1387 CA CB CG CD gd_17 1388 CB CG CD CE gd_17 1389 CG CD CE NZ gd_17 1390 CD CE NZ HZ1 gd_14 1391 1392[ LYSH ] 1393 [ atoms ] 1394 N N -0.28000 0 1395 H H 0.28000 0 1396 CA CH1 0.00000 1 1397 CB CH2 0.00000 1 1398 CG CH2 0.00000 2 1399 CD CH2 0.00000 2 1400 CE CH2 0.12700 3 1401 NZ NL 0.12900 3 1402 HZ1 H 0.24800 3 1403 HZ2 H 0.24800 3 1404 HZ3 H 0.24800 3 1405 C C 0.380 4 1406 O O -0.380 4 1407 [ bonds ] 1408 N H gb_2 1409 N CA gb_20 1410 CA C gb_26 1411 C O gb_4 1412 C +N gb_9 1413 CA CB gb_26 1414 CB CG gb_26 1415 CG CD gb_26 1416 CD CE gb_26 1417 CE NZ gb_20 1418 NZ HZ1 gb_2 1419 NZ HZ2 gb_2 1420 NZ HZ3 gb_2 1421 [ angles ] 1422; ai aj ak gromos type 1423 -C N H ga_31 1424 H N CA ga_17 1425 -C N CA ga_30 1426 N CA C ga_12 1427 CA C +N ga_18 1428 CA C O ga_29 1429 O C +N ga_32 1430 N CA CB ga_12 1431 C CA CB ga_12 1432 CA CB CG ga_14 1433 CB CG CD ga_14 1434 CG CD CE ga_14 1435 CD CE NZ ga_14 1436 CE NZ HZ1 ga_10 1437 CE NZ HZ2 ga_10 1438 CE NZ HZ3 ga_10 1439 HZ1 NZ HZ2 ga_9 1440 HZ1 NZ HZ3 ga_9 1441 HZ2 NZ HZ3 ga_9 1442 [ impropers ] 1443; ai aj ak al gromos type 1444 N -C CA H gi_1 1445 C CA +N O gi_1 1446 CA N C CB gi_2 1447 [ dihedrals ] 1448; ai aj ak al gromos type 1449 -CA -C N CA gd_4 1450 -C N CA C gd_19 1451 N CA C +N gd_20 1452 N CA CB CG gd_17 1453 CA CB CG CD gd_17 1454 CB CG CD CE gd_17 1455 CG CD CE NZ gd_17 1456 CD CE NZ HZ1 gd_14 1457 1458[ MET ] 1459 [ atoms ] 1460 N N -0.28000 0 1461 H H 0.28000 0 1462 CA CH1 0.00000 1 1463 CB CH2 0.00000 1 1464 CG CH2 0.00000 1 1465 SD S 0.00000 2 1466 CE CH3 0.00000 2 1467 C C 0.380 3 1468 O O -0.380 3 1469 [ bonds ] 1470 N H gb_2 1471 N CA gb_20 1472 CA C gb_26 1473 C O gb_4 1474 C +N gb_9 1475 CA CB gb_26 1476 CB CG gb_26 1477 CG SD gb_30 1478 SD CE gb_29 1479 [ angles ] 1480; ai aj ak gromos type 1481 -C N H ga_31 1482 H N CA ga_17 1483 -C N CA ga_30 1484 N CA C ga_12 1485 CA C +N ga_18 1486 CA C O ga_29 1487 O C +N ga_32 1488 N CA CB ga_12 1489 C CA CB ga_12 1490 CA CB CG ga_14 1491 CB CG SD ga_15 1492 CG SD CE ga_3 1493 [ impropers ] 1494; ai aj ak al gromos type 1495 N -C CA H gi_1 1496 C CA +N O gi_1 1497 CA N C CB gi_2 1498 [ dihedrals ] 1499; ai aj ak al gromos type 1500 -CA -C N CA gd_4 1501 -C N CA C gd_19 1502 N CA C +N gd_20 1503 N CA CB CG gd_17 1504 CA CB CG SD gd_17 1505 CB CG SD CE gd_13 1506 1507[ PHE ] 1508 [ atoms ] 1509 N N -0.28000 0 1510 H H 0.28000 0 1511 CA CH1 0.00000 1 1512 CB CH2 0.00000 1 1513 CG C 0.00000 1 1514 CD1 C -0.10000 2 1515 HD1 HC 0.10000 2 1516 CD2 C -0.10000 3 1517 HD2 HC 0.10000 3 1518 CE1 C -0.10000 4 1519 HE1 HC 0.10000 4 1520 CE2 C -0.10000 5 1521 HE2 HC 0.10000 5 1522 CZ C -0.10000 6 1523 HZ HC 0.10000 6 1524 C C 0.380 7 1525 O O -0.380 7 1526 [ bonds ] 1527 N H gb_2 1528 N CA gb_20 1529 CA C gb_26 1530 C O gb_4 1531 C +N gb_9 1532 CA CB gb_26 1533 CB CG gb_26 1534 CG CD1 gb_15 1535 CG CD2 gb_15 1536 CD1 HD1 gb_3 1537 CD1 CE1 gb_15 1538 CD2 HD2 gb_3 1539 CD2 CE2 gb_15 1540 CE1 HE1 gb_3 1541 CE1 CZ gb_15 1542 CE2 HE2 gb_3 1543 CE2 CZ gb_15 1544 CZ HZ gb_3 1545 [ exclusions ] 1546; ai aj 1547 CB HD1 1548 CB HD2 1549 CB CE1 1550 CB CE2 1551 CG HE1 1552 CG HE2 1553 CG CZ 1554 CD1 HD2 1555 CD1 CE2 1556 CD1 HZ 1557 HD1 CD2 1558 HD1 HE1 1559 HD1 CZ 1560 CD2 CE1 1561 CD2 HZ 1562 HD2 HE2 1563 HD2 CZ 1564 CE1 HE2 1565 HE1 CE2 1566 HE1 HZ 1567 HE2 HZ 1568 [ angles ] 1569; ai aj ak gromos type 1570 -C N H ga_31 1571 H N CA ga_17 1572 -C N CA ga_30 1573 N CA C ga_12 1574 CA C +N ga_18 1575 CA C O ga_29 1576 O C +N ga_32 1577 N CA CB ga_12 1578 C CA CB ga_12 1579 CA CB CG ga_14 1580 CB CG CD1 ga_26 1581 CB CG CD2 ga_26 1582 CD1 CG CD2 ga_26 1583 CG CD1 HD1 ga_24 1584 HD1 CD1 CE1 ga_24 1585 CG CD1 CE1 ga_26 1586 CG CD2 HD2 ga_24 1587 HD2 CD2 CE2 ga_24 1588 CG CD2 CE2 ga_26 1589 CD1 CE1 HE1 ga_24 1590 HE1 CE1 CZ ga_24 1591 CD1 CE1 CZ ga_26 1592 CD2 CE2 HE2 ga_24 1593 HE2 CE2 CZ ga_24 1594 CD2 CE2 CZ ga_26 1595 CE1 CZ HZ ga_24 1596 CE2 CZ HZ ga_24 1597 CE1 CZ CE2 ga_26 1598 [ impropers ] 1599; ai aj ak al gromos type 1600 N -C CA H gi_1 1601 C CA +N O gi_1 1602 CA N C CB gi_2 1603 CG CD1 CD2 CB gi_1 1604 CD2 CG CD1 CE1 gi_1 1605 CD1 CG CD2 CE2 gi_1 1606 CG CD1 CE1 CZ gi_1 1607 CG CD2 CE2 CZ gi_1 1608 CD1 CE1 CZ CE2 gi_1 1609 CD2 CE2 CZ CE1 gi_1 1610 CD1 CG CE1 HD1 gi_1 1611 CD2 CG CE2 HD2 gi_1 1612 CE1 CZ CD1 HE1 gi_1 1613 CE2 CZ CD2 HE2 gi_1 1614 CZ CE1 CE2 HZ gi_1 1615 [ dihedrals ] 1616; ai aj ak al gromos type 1617 -CA -C N CA gd_4 1618 -C N CA C gd_19 1619 N CA C +N gd_20 1620 N CA CB CG gd_17 1621 CA CB CG CD1 gd_20 1622 1623[ PRO ] 1624 [ atoms ] 1625 N N 0.00000 0 1626 CA CH1 0.00000 1 1627 CB CH2 0.00000 1 1628 CG CH2 0.00000 2 1629 CD CH2 0.00000 2 1630 C C 0.380 3 1631 O O -0.380 3 1632 [ bonds ] 1633 N CA gb_20 1634 CA C gb_26 1635 C O gb_4 1636 C +N gb_9 1637 CA CB gb_26 1638 CB CG gb_26 1639 CG CD gb_26 1640 CD N gb_20 1641 [ angles ] 1642; ai aj ak gromos type 1643 -C N CA ga_30 1644 N CA C ga_12 1645 CA C +N ga_18 1646 CA C O ga_29 1647 O C +N ga_32 1648 N CA CB ga_12 1649 C CA CB ga_12 1650 CA CB CG ga_12 1651 CB CG CD ga_12 1652 CG CD N ga_12 1653 CD N CA ga_20 1654 -C N CD ga_30 1655 [ impropers ] 1656; ai aj ak al gromos type 1657 N -C CA CD gi_1 1658 C CA +N O gi_1 1659 CA N C CB gi_2 1660 [ dihedrals ] 1661; ai aj ak al gromos type 1662 -CA -C N CA gd_4 1663 -C N CA C gd_19 1664 N CA C +N gd_20 1665 N CA CB CG gd_17 1666 CA CB CG CD gd_17 1667 CB CG CD N gd_17 1668 CG CD N CA gd_19 1669 1670[ SER ] 1671 [ atoms ] 1672 N N -0.28000 0 1673 H H 0.28000 0 1674 CA CH1 0.00000 1 1675 CB CH2 0.15000 2 1676 OG OA -0.54800 2 1677 HG H 0.39800 2 1678 C C 0.380 3 1679 O O -0.380 3 1680 [ bonds ] 1681 N H gb_2 1682 N CA gb_20 1683 CA C gb_26 1684 C O gb_4 1685 C +N gb_9 1686 CA CB gb_26 1687 CB OG gb_17 1688 OG HG gb_1 1689 [ angles ] 1690; ai aj ak gromos type 1691 -C N H ga_31 1692 H N CA ga_17 1693 -C N CA ga_30 1694 N CA C ga_12 1695 CA C +N ga_18 1696 CA C O ga_29 1697 O C +N ga_32 1698 N CA CB ga_12 1699 C CA CB ga_12 1700 CA CB OG ga_12 1701 CB OG HG ga_11 1702 [ impropers ] 1703; ai aj ak al gromos type 1704 N -C CA H gi_1 1705 C CA +N O gi_1 1706 CA N C CB gi_2 1707 [ dihedrals ] 1708; ai aj ak al gromos type 1709 -CA -C N CA gd_4 1710 -C N CA C gd_19 1711 N CA C +N gd_20 1712 N CA CB OG gd_17 1713 CA CB OG HG gd_12 1714 1715[ THR ] 1716 [ atoms ] 1717 N N -0.28000 0 1718 H H 0.28000 0 1719 CA CH1 0.00000 1 1720 CB CH1 0.15000 2 1721 OG1 OA -0.54800 2 1722 HG1 H 0.39800 2 1723 CG2 CH3 0.00000 3 1724 C C 0.380 4 1725 O O -0.380 4 1726 [ bonds ] 1727 N H gb_2 1728 N CA gb_20 1729 CA C gb_26 1730 C O gb_4 1731 C +N gb_9 1732 CA CB gb_26 1733 CB OG1 gb_17 1734 CB CG2 gb_26 1735 OG1 HG1 gb_1 1736 [ angles ] 1737; ai aj ak gromos type 1738 -C N H ga_31 1739 H N CA ga_17 1740 -C N CA ga_30 1741 N CA C ga_12 1742 CA C +N ga_18 1743 CA C O ga_29 1744 O C +N ga_32 1745 N CA CB ga_12 1746 C CA CB ga_12 1747 CA CB OG1 ga_12 1748 CA CB CG2 ga_14 1749 OG1 CB CG2 ga_14 1750 CB OG1 HG1 ga_11 1751 [ impropers ] 1752; ai aj ak al gromos type 1753 N -C CA H gi_1 1754 C CA +N O gi_1 1755 CA N C CB gi_2 1756 CB OG1 CG2 CA gi_2 1757 [ dihedrals ] 1758; ai aj ak al gromos type 1759 -CA -C N CA gd_4 1760 -C N CA C gd_19 1761 N CA C +N gd_20 1762 N CA CB OG1 gd_17 1763 CA CB OG1 HG1 gd_12 1764 1765[ TRP ] 1766 [ atoms ] 1767 N N -0.28000 0 1768 H H 0.28000 0 1769 CA CH1 0.00000 1 1770 CB CH2 0.00000 1 1771 CG C -0.14000 2 1772 CD1 C -0.10000 2 1773 HD1 HC 0.10000 2 1774 CD2 C 0.00000 2 1775 NE1 NR -0.05000 2 1776 HE1 H 0.19000 2 1777 CE2 C 0.00000 2 1778 CE3 C -0.10000 3 1779 HE3 HC 0.10000 3 1780 CZ2 C -0.10000 4 1781 HZ2 HC 0.10000 4 1782 CZ3 C -0.10000 5 1783 HZ3 HC 0.10000 5 1784 CH2 C -0.10000 6 1785 HH2 HC 0.10000 6 1786 C C 0.380 7 1787 O O -0.380 7 1788 [ bonds ] 1789 N H gb_2 1790 N CA gb_20 1791 CA C gb_26 1792 C O gb_4 1793 C +N gb_9 1794 CA CB gb_26 1795 CB CG gb_26 1796 CG CD1 gb_9 1797 CG CD2 gb_15 1798 CD1 HD1 gb_3 1799 CD1 NE1 gb_9 1800 CD2 CE2 gb_15 1801 CD2 CE3 gb_15 1802 NE1 HE1 gb_2 1803 NE1 CE2 gb_9 1804 CE2 CZ2 gb_15 1805 CE3 HE3 gb_3 1806 CE3 CZ3 gb_15 1807 CZ2 HZ2 gb_3 1808 CZ2 CH2 gb_15 1809 CZ3 HZ3 gb_3 1810 CZ3 CH2 gb_15 1811 CH2 HH2 gb_3 1812 [ exclusions ] 1813; ai aj 1814 CB HD1 1815 CB NE1 1816 CB CE2 1817 CB CE3 1818 CG HE1 1819 CG HE3 1820 CG CZ2 1821 CG CZ3 1822 CD1 CE3 1823 CD1 CZ2 1824 HD1 CD2 1825 HD1 HE1 1826 HD1 CE2 1827 CD2 HE1 1828 CD2 HZ2 1829 CD2 HZ3 1830 CD2 CH2 1831 NE1 CE3 1832 NE1 HZ2 1833 NE1 CH2 1834 HE1 CZ2 1835 CE2 HE3 1836 CE2 CZ3 1837 CE2 HH2 1838 CE3 CZ2 1839 CE3 HH2 1840 HE3 HZ3 1841 HE3 CH2 1842 CZ2 HZ3 1843 HZ2 CZ3 1844 HZ2 HH2 1845 HZ3 HH2 1846 [ angles ] 1847; ai aj ak gromos type 1848 -C N H ga_31 1849 H N CA ga_17 1850 -C N CA ga_30 1851 N CA C ga_12 1852 CA C +N ga_18 1853 CA C O ga_29 1854 O C +N ga_32 1855 N CA CB ga_12 1856 C CA CB ga_12 1857 CA CB CG ga_14 1858 CB CG CD1 ga_36 1859 CB CG CD2 ga_36 1860 CD1 CG CD2 ga_6 1861 CG CD1 HD1 ga_35 1862 HD1 CD1 NE1 ga_35 1863 CG CD1 NE1 ga_6 1864 CG CD2 CE2 ga_6 1865 CD1 NE1 CE2 ga_6 1866 CD1 NE1 HE1 ga_35 1867 HE1 NE1 CE2 ga_35 1868 NE1 CE2 CD2 ga_6 1869 CG CD2 CE3 ga_38 1870 NE1 CE2 CZ2 ga_38 1871 CD2 CE2 CZ2 ga_26 1872 CE2 CD2 CE3 ga_26 1873 CD2 CE3 HE3 ga_24 1874 HE3 CE3 CZ3 ga_24 1875 CD2 CE3 CZ3 ga_26 1876 CE2 CZ2 HZ2 ga_24 1877 HZ2 CZ2 CH2 ga_24 1878 CE2 CZ2 CH2 ga_26 1879 CE3 CZ3 HZ3 ga_24 1880 HZ3 CZ3 CH2 ga_24 1881 CE3 CZ3 CH2 ga_26 1882 CZ2 CH2 HH2 ga_24 1883 HH2 CH2 CZ3 ga_24 1884 CZ2 CH2 CZ3 ga_26 1885 [ impropers ] 1886; ai aj ak al gromos type 1887 N -C CA H gi_1 1888 C CA +N O gi_1 1889 CA N C CB gi_2 1890 CG CD1 CD2 CB gi_1 1891 CD2 CG CD1 NE1 gi_1 1892 CD1 CG CD2 CE2 gi_1 1893 CG CD1 NE1 CE2 gi_1 1894 CG CD2 CE2 NE1 gi_1 1895 CD1 NE1 CE2 CD2 gi_1 1896 CD1 CG NE1 HD1 gi_1 1897 NE1 CD1 CE2 HE1 gi_1 1898 CD2 CE2 CE3 CG gi_1 1899 CE2 CD2 CZ2 NE1 gi_1 1900 CE3 CD2 CE2 CZ2 gi_1 1901 CD2 CE2 CZ2 CH2 gi_1 1902 CE2 CD2 CE3 CZ3 gi_1 1903 CE2 CZ2 CH2 CZ3 gi_1 1904 CD2 CE3 CZ3 CH2 gi_1 1905 CE3 CZ3 CH2 CZ2 gi_1 1906 CE3 CD2 CZ3 HE3 gi_1 1907 CZ2 CE2 CH2 HZ2 gi_1 1908 CZ3 CE3 CH2 HZ3 gi_1 1909 CH2 CZ2 CZ3 HH2 gi_1 1910 [ dihedrals ] 1911; ai aj ak al gromos type 1912 -CA -C N CA gd_4 1913 -C N CA C gd_19 1914 N CA C +N gd_20 1915 N CA CB CG gd_17 1916 CA CB CG CD2 gd_20 1917 1918[ TYR ] 1919 [ atoms ] 1920 N N -0.28000 0 1921 H H 0.28000 0 1922 CA CH1 0.00000 1 1923 CB CH2 0.00000 1 1924 CG C 0.00000 1 1925 CD1 C -0.10000 2 1926 HD1 HC 0.10000 2 1927 CD2 C -0.10000 3 1928 HD2 HC 0.10000 3 1929 CE1 C -0.10000 4 1930 HE1 HC 0.10000 4 1931 CE2 C -0.10000 5 1932 HE2 HC 0.10000 5 1933 CZ C 0.15000 6 1934 OH OA -0.54800 6 1935 HH H 0.39800 6 1936 C C 0.380 7 1937 O O -0.380 7 1938 [ bonds ] 1939 N H gb_2 1940 N CA gb_20 1941 CA C gb_26 1942 C O gb_4 1943 C +N gb_9 1944 CA CB gb_26 1945 CB CG gb_26 1946 CG CD1 gb_15 1947 CG CD2 gb_15 1948 CD1 HD1 gb_3 1949 CD1 CE1 gb_15 1950 CD2 HD2 gb_3 1951 CD2 CE2 gb_15 1952 CE1 HE1 gb_3 1953 CE1 CZ gb_15 1954 CE2 HE2 gb_3 1955 CE2 CZ gb_15 1956 CZ OH gb_12 1957 OH HH gb_1 1958 [ exclusions ] 1959; ai aj 1960 CB HD1 1961 CB HD2 1962 CB CE1 1963 CB CE2 1964 CG HE1 1965 CG HE2 1966 CG CZ 1967 CD1 HD2 1968 CD1 CE2 1969 CD1 OH 1970 HD1 CD2 1971 HD1 HE1 1972 HD1 CZ 1973 CD2 CE1 1974 CD2 OH 1975 HD2 HE2 1976 HD2 CZ 1977 CE1 HE2 1978 HE1 CE2 1979 HE1 OH 1980 HE2 OH 1981 [ angles ] 1982; ai aj ak gromos type 1983 -C N H ga_31 1984 H N CA ga_17 1985 -C N CA ga_30 1986 N CA C ga_12 1987 CA C +N ga_18 1988 CA C O ga_29 1989 O C +N ga_32 1990 N CA CB ga_12 1991 C CA CB ga_12 1992 CA CB CG ga_14 1993 CB CG CD1 ga_26 1994 CB CG CD2 ga_26 1995 CD1 CG CD2 ga_26 1996 CG CD1 HD1 ga_24 1997 HD1 CD1 CE1 ga_24 1998 CG CD1 CE1 ga_26 1999 CG CD2 HD2 ga_24 2000 HD2 CD2 CE2 ga_24 2001 CG CD2 CE2 ga_26 2002 CD1 CE1 HE1 ga_24 2003 HE1 CE1 CZ ga_24 2004 CD1 CE1 CZ ga_26 2005 CD2 CE2 HE2 ga_24 2006 HE2 CE2 CZ ga_24 2007 CD2 CE2 CZ ga_26 2008 CE1 CZ CE2 ga_26 2009 CE1 CZ OH ga_26 2010 CE2 CZ OH ga_26 2011 CZ OH HH ga_11 2012 [ impropers ] 2013; ai aj ak al gromos type 2014 N -C CA H gi_1 2015 C CA +N O gi_1 2016 CA N C CB gi_2 2017 CG CD1 CD2 CB gi_1 2018 CD2 CG CD1 CE1 gi_1 2019 CD1 CG CD2 CE2 gi_1 2020 CG CD1 CE1 CZ gi_1 2021 CG CD2 CE2 CZ gi_1 2022 CD1 CE1 CZ CE2 gi_1 2023 CD2 CE2 CZ CE1 gi_1 2024 CD1 CG CE1 HD1 gi_1 2025 CD2 CG CE2 HD2 gi_1 2026 CE1 CZ CD1 HE1 gi_1 2027 CE2 CZ CD2 HE2 gi_1 2028 CZ CE1 CE2 OH gi_1 2029 [ dihedrals ] 2030; ai aj ak al gromos type 2031 -CA -C N CA gd_4 2032 -C N CA C gd_19 2033 N CA C +N gd_20 2034 N CA CB CG gd_17 2035 CA CB CG CD1 gd_20 2036 CE1 CZ OH HH gd_2 2037 2038[ VAL ] 2039 [ atoms ] 2040 N N -0.28000 0 2041 H H 0.28000 0 2042 CA CH1 0.00000 1 2043 CB CH1 0.00000 1 2044 CG1 CH3 0.00000 1 2045 CG2 CH3 0.00000 1 2046 C C 0.380 2 2047 O O -0.380 2 2048 [ bonds ] 2049 N H gb_2 2050 N CA gb_20 2051 CA C gb_26 2052 C O gb_4 2053 C +N gb_9 2054 CA CB gb_26 2055 CB CG1 gb_26 2056 CB CG2 gb_26 2057 [ angles ] 2058; ai aj ak gromos type 2059 -C N H ga_31 2060 H N CA ga_17 2061 -C N CA ga_30 2062 N CA C ga_12 2063 CA C +N ga_18 2064 CA C O ga_29 2065 O C +N ga_32 2066 N CA CB ga_12 2067 C CA CB ga_12 2068 CA CB CG1 ga_14 2069 CA CB CG2 ga_14 2070 CG1 CB CG2 ga_14 2071 [ impropers ] 2072; ai aj ak al gromos type 2073 N -C CA H gi_1 2074 C CA +N O gi_1 2075 CA N C CB gi_2 2076 CB CG2 CG1 CA gi_2 2077 [ dihedrals ] 2078; ai aj ak al gromos type 2079 -CA -C N CA gd_4 2080 -C N CA C gd_19 2081 N CA C +N gd_20 2082 N CA CB CG1 gd_17 2083 2084[ DALA ] 2085 [ atoms ] 2086 N N -0.28000 0 2087 H H 0.28000 0 2088 CA CH1 0.00000 1 2089 CB CH3 0.00000 1 2090 C C 0.380 2 2091 O O -0.380 2 2092 [ bonds ] 2093 N H gb_2 2094 N CA gb_20 2095 CA C gb_26 2096 C O gb_4 2097 C +N gb_9 2098 CA CB gb_26 2099 [ angles ] 2100; ai aj ak gromos type 2101 -C N H ga_31 2102 H N CA ga_17 2103 -C N CA ga_30 2104 N CA C ga_12 2105 CA C +N ga_18 2106 CA C O ga_29 2107 O C +N ga_32 2108 N CA CB ga_12 2109 C CA CB ga_12 2110 [ impropers ] 2111; ai aj ak al gromos type 2112 N -C CA H gi_1 2113 C CA +N O gi_1 2114 CA C N CB gi_2 2115 [ dihedrals ] 2116; ai aj ak al gromos type 2117 -CA -C N CA gd_4 2118 -C N CA C gd_19 2119 N CA C +N gd_20 2120 2121[ ABU ] 2122 [ atoms ] 2123 N N -0.28000 0 2124 H H 0.28000 0 2125 CA CH1 0.00000 1 2126 CB CH2 0.00000 1 2127 CG CH3 0.00000 1 2128 C C 0.380 2 2129 O O -0.380 2 2130 [ bonds ] 2131 N H gb_2 2132 N CA gb_20 2133 CA C gb_26 2134 C O gb_4 2135 C +N gb_9 2136 CA CB gb_26 2137 CB CG gb_26 2138 [ angles ] 2139; ai aj ak gromos type 2140 -C N H ga_31 2141 H N CA ga_17 2142 -C N CA ga_30 2143 N CA C ga_12 2144 CA C +N ga_18 2145 CA C O ga_29 2146 O C +N ga_32 2147 N CA CB ga_12 2148 C CA CB ga_12 2149 CA CB CG ga_14 2150 [ impropers ] 2151; ai aj ak al gromos type 2152 N -C CA H gi_1 2153 C CA +N O gi_1 2154 CA N C CB gi_2 2155 [ dihedrals ] 2156; ai aj ak al gromos type 2157 -CA -C N CA gd_4 2158 -C N CA C gd_19 2159 N CA C +N gd_20 2160 N CA CB CG gd_17 2161 2162[ MEBMT ] 2163 [ atoms ] 2164 N N 0.00000 0 2165 CN CH3 0.00000 0 2166 CA CH1 0.00000 1 2167 CB CH1 0.15000 2 2168 OG1 OA -0.54800 2 2169 HG1 H 0.39800 2 2170 CG2 CH1 0.00000 3 2171 CD1 CH3 0.00000 3 2172 CD2 CH2 0.00000 3 2173 CE CR1 0.00000 4 2174 CZ CR1 0.00000 4 2175 CH CH3 0.00000 4 2176 C C 0.380 5 2177 O O -0.380 5 2178 [ bonds ] 2179 N CN gb_20 2180 N CA gb_20 2181 CA C gb_26 2182 C O gb_4 2183 C +N gb_9 2184 CA CB gb_26 2185 CB OG1 gb_17 2186 OG1 HG1 gb_1 2187 CB CG2 gb_26 2188 CG2 CD1 gb_26 2189 CG2 CD2 gb_26 2190 CD2 CE gb_26 2191 CE CZ gb_9 2192 CZ CH gb_26 2193 [ angles ] 2194; ai aj ak gromos type 2195 -C N CN ga_21 2196 CN N CA ga_29 2197 -C N CA ga_30 2198 N CA C ga_12 2199 CA C +N ga_18 2200 CA C O ga_29 2201 O C +N ga_32 2202 N CA CB ga_12 2203 C CA CB ga_12 2204 CA CB OG1 ga_12 2205 CA CB CG2 ga_14 2206 OG1 CB CG2 ga_14 2207 CB OG1 HG1 ga_11 2208 CB CG2 CD1 ga_14 2209 CB CG2 CD2 ga_14 2210 CD2 CG2 CD1 ga_14 2211 CG2 CD2 CE ga_14 2212 CD2 CE CZ ga_26 2213 CE CZ CH ga_26 2214 [ impropers ] 2215; ai aj ak al gromos type 2216 N -C CA CN gi_1 2217 C CA +N O gi_1 2218 CA N C CB gi_2 2219 CB OG1 CG2 CA gi_2 2220 CG2 CD1 CD2 CB gi_2 2221 [ dihedrals ] 2222; ai aj ak al gromos type 2223 -CA -C N CA gd_4 2224 -C N CA C gd_19 2225 N CA C +N gd_20 2226 N CA CB CG2 gd_17 2227 CA CB OG1 HG1 gd_12 2228 CA CB CG2 CD2 gd_17 2229 CB CG2 CD2 CE gd_17 2230 CG2 CD2 CE CZ gd_20 2231 CD2 CE CZ CH gd_4 2232 2233[ MELEU ] 2234 [ atoms ] 2235 N N 0.00000 0 2236 CN CH3 0.00000 0 2237 CA CH1 0.00000 1 2238 CB CH2 0.00000 1 2239 CG CH1 0.00000 2 2240 CD1 CH3 0.00000 2 2241 CD2 CH3 0.00000 2 2242 C C 0.380 3 2243 O O -0.380 3 2244 [ bonds ] 2245 N CN gb_20 2246 N CA gb_20 2247 CA C gb_26 2248 C O gb_4 2249 C +N gb_9 2250 CA CB gb_26 2251 CB CG gb_26 2252 CG CD1 gb_26 2253 CG CD2 gb_26 2254 [ angles ] 2255; ai aj ak gromos type 2256 -C N CN ga_21 2257 CN N CA ga_29 2258 -C N CA ga_30 2259 N CA C ga_12 2260 CA C +N ga_18 2261 CA C O ga_29 2262 O C +N ga_32 2263 N CA CB ga_12 2264 C CA CB ga_12 2265 CA CB CG ga_14 2266 CB CG CD1 ga_14 2267 CB CG CD2 ga_14 2268 CD1 CG CD2 ga_14 2269 [ impropers ] 2270; ai aj ak al gromos type 2271 N -C CA CN gi_1 2272 C CA +N O gi_1 2273 CA N C CB gi_2 2274 CG CD2 CD1 CB gi_2 2275 [ dihedrals ] 2276; ai aj ak al gromos type 2277 -CA -C N CA gd_4 2278 -C N CA C gd_19 2279 N CA C +N gd_20 2280 N CA CB CG gd_17 2281 CA CB CG CD1 gd_17 2282 2283[ MEVAL ] 2284 [ atoms ] 2285 N N 0.00000 0 2286 CN CH3 0.00000 0 2287 CA CH1 0.00000 1 2288 CB CH1 0.00000 1 2289 CG1 CH3 0.00000 1 2290 CG2 CH3 0.00000 1 2291 C C 0.380 2 2292 O O -0.380 2 2293 [ bonds ] 2294 N CN gb_20 2295 N CA gb_20 2296 CA C gb_26 2297 C O gb_4 2298 C +N gb_9 2299 CA CB gb_26 2300 CB CG1 gb_26 2301 CB CG2 gb_26 2302 [ angles ] 2303; ai aj ak gromos type 2304 -C N CN ga_21 2305 CN N CA ga_29 2306 -C N CA ga_30 2307 N CA C ga_12 2308 CA C +N ga_18 2309 CA C O ga_29 2310 O C +N ga_32 2311 N CA CB ga_12 2312 C CA CB ga_12 2313 CA CB CG1 ga_14 2314 CA CB CG2 ga_14 2315 CG1 CB CG2 ga_14 2316 [ impropers ] 2317; ai aj ak al gromos type 2318 N -C CA CN gi_1 2319 C CA +N O gi_1 2320 CA N C CB gi_2 2321 CB CG2 CG1 CA gi_2 2322 [ dihedrals ] 2323; ai aj ak al gromos type 2324 -CA -C N CA gd_4 2325 -C N CA C gd_19 2326 N CA C +N gd_20 2327 N CA CB CG1 gd_17 2328 2329[ SAR ] 2330 [ atoms ] 2331 N N 0.00000 0 2332 CN CH3 0.00000 0 2333 CA CH2 0.00000 1 2334 C C 0.380 2 2335 O O -0.380 2 2336 [ bonds ] 2337 N CN gb_20 2338 N CA gb_20 2339 CA C gb_26 2340 C O gb_4 2341 C +N gb_9 2342 [ angles ] 2343; ai aj ak gromos type 2344 -C N CN ga_21 2345 CN N CA ga_29 2346 -C N CA ga_30 2347 N CA C ga_12 2348 CA C +N ga_18 2349 CA C O ga_29 2350 O C +N ga_32 2351 [ impropers ] 2352; ai aj ak al gromos type 2353 N -C CA CN gi_1 2354 C CA +N O gi_1 2355 [ dihedrals ] 2356; ai aj ak al gromos type 2357 -CA -C N CA gd_4 2358 -C N CA C gd_19 2359 N CA C +N gd_20 2360 2361[ DADE ] 2362 [ atoms ] 2363 P P 0.99000 0 2364 O1P OM -0.63500 0 2365 O2P OM -0.63500 0 2366 O5* OA -0.36000 0 2367 C5* CH2 0.00000 1 2368 C4* CH1 0.16000 2 2369 O4* OA -0.36000 2 2370 C1* CH1 0.20000 2 2371 N9 NR -0.20000 3 2372 C4 C 0.20000 3 2373 N3 NR -0.36000 4 2374 C2 CR1 0.36000 4 2375 N1 NR -0.36000 5 2376 C6 C 0.36000 5 2377 N6 NT -0.83000 6 2378 H61 H 0.41500 6 2379 H62 H 0.41500 6 2380 C5 C 0.00000 7 2381 N7 NR -0.36000 7 2382 C8 CR1 0.36000 7 2383 C2* CH2 0.00000 8 2384 C3* CH1 0.000 8 2385 O3* OA -0.360 9 2386 [ bonds ] 2387 P O1P gb_23 2388 P O2P gb_23 2389 P O5* gb_27 2390 O5* C5* gb_19 2391 C5* C4* gb_25 2392 C4* O4* gb_19 2393 C4* C3* gb_25 2394 O4* C1* gb_19 2395 C1* N9 gb_21 2396 C1* C2* gb_25 2397 N9 C4 gb_9 2398 N9 C8 gb_9 2399 C4 N3 gb_11 2400 C4 C5 gb_15 2401 N3 C2 gb_6 2402 C2 N1 gb_6 2403 N1 C6 gb_11 2404 C6 N6 gb_8 2405 C6 C5 gb_15 2406 N6 H61 gb_2 2407 N6 H62 gb_2 2408 C5 N7 gb_9 2409 N7 C8 gb_9 2410 C2* C3* gb_25 2411 C3* O3* gb_19 2412 O3* +P gb_27 2413 [ exclusions ] 2414; ai aj 2415 C1* N3 2416 C1* C5 2417 C1* N7 2418 N9 C2 2419 N9 C6 2420 C4 N1 2421 C4 N6 2422 N3 C6 2423 N3 N7 2424 N3 C8 2425 C2 N6 2426 C2 C5 2427 N1 N7 2428 C6 C8 2429 N6 N7 2430 [ angles ] 2431; ai aj ak gromos type 2432 -O P O1P ga_13 2433 -O P O2P ga_13 2434 -O P O5* ga_4 2435 O1P P O2P ga_28 2436 O1P P O5* ga_13 2437 O2P P O5* ga_13 2438 P O5* C5* ga_25 2439 O5* C5* C4* ga_8 2440 C5* C4* O4* ga_8 2441 C5* C4* C3* ga_7 2442 O4* C4* C3* ga_8 2443 C4* O4* C1* ga_9 2444 O4* C1* N9 ga_8 2445 O4* C1* C2* ga_8 2446 N9 C1* C2* ga_8 2447 C1* N9 C4 ga_36 2448 C1* N9 C8 ga_36 2449 C4 N9 C8 ga_6 2450 N9 C4 N3 ga_38 2451 N9 C4 C5 ga_6 2452 N3 C4 C5 ga_26 2453 C4 N3 C2 ga_26 2454 N3 C2 N1 ga_26 2455 C2 N1 C6 ga_26 2456 N1 C6 N6 ga_26 2457 N1 C6 C5 ga_26 2458 N6 C6 C5 ga_26 2459 C6 N6 H61 ga_22 2460 C6 N6 H62 ga_22 2461 H61 N6 H62 ga_23 2462 C4 C5 C6 ga_26 2463 C4 C5 N7 ga_6 2464 C6 C5 N7 ga_38 2465 C5 N7 C8 ga_6 2466 N9 C8 N7 ga_6 2467 C1* C2* C3* ga_7 2468 C4* C3* C2* ga_7 2469 C4* C3* O3* ga_8 2470 C2* C3* O3* ga_8 2471 C3* O3* +P ga_25 2472 [ impropers ] 2473; ai aj ak al gromos type 2474 C4* O4* C5* C3* gi_2 2475 C3* C2* O3* C4* gi_2 2476 C1* N9 O4* C2* gi_2 2477 N9 C8 C4 C1* gi_1 2478 C4 N9 C8 N7 gi_1 2479 C8 N9 C4 C5 gi_1 2480 N9 C8 N7 C5 gi_1 2481 N9 C4 C5 N7 gi_1 2482 C8 N7 C5 C4 gi_1 2483 C4 N9 N3 C5 gi_1 2484 C5 C6 N7 C4 gi_1 2485 N3 C4 C5 C6 gi_1 2486 C4 C5 C6 N1 gi_1 2487 C5 C4 N3 C2 gi_1 2488 C5 C6 N1 C2 gi_1 2489 C4 N3 C2 N1 gi_1 2490 N3 C2 N1 C6 gi_1 2491 C6 C5 N1 N6 gi_1 2492 N6 H61 H62 C6 gi_1 2493 [ dihedrals ] 2494; ai aj ak al gromos type 2495 -C -O P O5* gd_11 2496 -C -O P O5* gd_9 2497 -O P O5* C5* gd_11 2498 -O P O5* C5* gd_9 2499 P O5* C5* C4* gd_14 2500 O5* C5* C4* C3* gd_17 2501 O5* C5* C4* C3* gd_7 2502 O5* C5* C4* O4* gd_8 2503 C5* C4* C3* C2* gd_17 2504 C5* C4* C3* O3* gd_7 2505 O4* C4* C3* C2* gd_7 2506 O4* C4* C3* O3* gd_8 2507 C4* C3* C2* C1* gd_17 2508 O3* C3* C2* C1* gd_7 2509 C3* C2* C1* O4* gd_17 2510 C3* C2* C1* O4* gd_7 2511 C3* C4* O4* C1* gd_14 2512 C4* O4* C1* C2* gd_14 2513 O4* C1* N9 C4 gd_6 2514 C5 C6 N6 H61 gd_4 2515 C4* C3* O3* +P gd_14 2516 2517[ DGUA ] 2518 [ atoms ] 2519 P P 0.99000 0 2520 O1P OM -0.63500 0 2521 O2P OM -0.63500 0 2522 O5* OA -0.36000 0 2523 C5* CH2 0.00000 1 2524 C4* CH1 0.16000 2 2525 O4* OA -0.36000 2 2526 C1* CH1 0.20000 2 2527 N9 NR -0.20000 3 2528 C4 C 0.20000 3 2529 N3 NR -0.36000 4 2530 C2 C 0.36000 4 2531 N2 NT -0.83000 5 2532 H21 H 0.41500 5 2533 H22 H 0.41500 5 2534 N1 NR -0.28000 6 2535 H1 H 0.28000 6 2536 C6 C 0.38000 7 2537 O6 O -0.38000 7 2538 C5 C 0.00000 8 2539 N7 NR -0.36000 8 2540 C8 CR1 0.36000 8 2541 C2* CH2 0.00000 9 2542 C3* CH1 0.000 9 2543 O3* OA -0.360 10 2544 [ bonds ] 2545 P O1P gb_23 2546 P O2P gb_23 2547 P O5* gb_27 2548 O5* C5* gb_19 2549 C5* C4* gb_25 2550 C4* O4* gb_19 2551 C4* C3* gb_25 2552 O4* C1* gb_19 2553 C1* N9 gb_21 2554 C1* C2* gb_25 2555 N9 C4 gb_9 2556 N9 C8 gb_9 2557 C4 N3 gb_11 2558 C4 C5 gb_15 2559 N3 C2 gb_11 2560 C2 N2 gb_8 2561 C2 N1 gb_16 2562 N2 H21 gb_2 2563 N2 H22 gb_2 2564 N1 H1 gb_2 2565 N1 C6 gb_16 2566 C6 O6 gb_4 2567 C6 C5 gb_15 2568 C5 N7 gb_9 2569 N7 C8 gb_9 2570 C2* C3* gb_25 2571 C3* O3* gb_19 2572 O3* +P gb_27 2573 [ exclusions ] 2574; ai aj 2575 C1* N3 2576 C1* C5 2577 C1* N7 2578 N9 C2 2579 N9 C6 2580 C4 N2 2581 C4 N1 2582 C4 O6 2583 N3 H1 2584 N3 C6 2585 N3 N7 2586 N3 C8 2587 C2 O6 2588 C2 C5 2589 N2 H1 2590 N2 C6 2591 N1 N7 2592 H1 O6 2593 H1 C5 2594 C6 C8 2595 O6 N7 2596 [ angles ] 2597; ai aj ak gromos type 2598 -O P O1P ga_13 2599 -O P O2P ga_13 2600 -O P O5* ga_4 2601 O1P P O2P ga_28 2602 O1P P O5* ga_13 2603 O2P P O5* ga_13 2604 P O5* C5* ga_25 2605 O5* C5* C4* ga_8 2606 C5* C4* O4* ga_8 2607 C5* C4* C3* ga_7 2608 O4* C4* C3* ga_8 2609 C4* O4* C1* ga_9 2610 O4* C1* N9 ga_8 2611 O4* C1* C2* ga_8 2612 N9 C1* C2* ga_8 2613 C1* N9 C4 ga_36 2614 C1* N9 C8 ga_36 2615 C4 N9 C8 ga_6 2616 N9 C4 N3 ga_38 2617 N9 C4 C5 ga_6 2618 N3 C4 C5 ga_26 2619 C4 N3 C2 ga_26 2620 N3 C2 N2 ga_26 2621 N3 C2 N1 ga_26 2622 N2 C2 N1 ga_26 2623 C2 N2 H21 ga_22 2624 C2 N2 H22 ga_22 2625 H21 N2 H22 ga_23 2626 C2 N1 H1 ga_24 2627 C2 N1 C6 ga_26 2628 H1 N1 C6 ga_24 2629 N1 C6 O6 ga_26 2630 N1 C6 C5 ga_26 2631 O6 C6 C5 ga_26 2632 C4 C5 C6 ga_26 2633 C4 C5 N7 ga_6 2634 C6 C5 N7 ga_38 2635 C5 N7 C8 ga_6 2636 N9 C8 N7 ga_6 2637 C1* C2* C3* ga_7 2638 C4* C3* C2* ga_7 2639 C4* C3* O3* ga_8 2640 C2* C3* O3* ga_8 2641 C3* O3* +P ga_25 2642 [ impropers ] 2643; ai aj ak al gromos type 2644 C4* O4* C5* C3* gi_2 2645 C3* C2* O3* C4* gi_2 2646 C1* N9 O4* C2* gi_2 2647 N9 C8 C4 C1* gi_1 2648 C4 N9 C8 N7 gi_1 2649 C8 N9 C4 C5 gi_1 2650 N9 C8 N7 C5 gi_1 2651 N9 C4 C5 N7 gi_1 2652 C8 N7 C5 C4 gi_1 2653 C4 N9 N3 C5 gi_1 2654 C5 C6 N7 C4 gi_1 2655 N3 C4 C5 C6 gi_1 2656 C4 C5 C6 N1 gi_1 2657 C5 C4 N3 C2 gi_1 2658 C5 C6 N1 C2 gi_1 2659 C4 N3 C2 N1 gi_1 2660 N3 C2 N1 C6 gi_1 2661 C2 N1 N3 N2 gi_1 2662 N2 H21 H22 C2 gi_1 2663 N1 C6 C2 H1 gi_1 2664 C6 C5 N1 O6 gi_1 2665 [ dihedrals ] 2666; ai aj ak al gromos type 2667 -C -O P O5* gd_11 2668 -C -O P O5* gd_9 2669 -O P O5* C5* gd_11 2670 -O P O5* C5* gd_9 2671 P O5* C5* C4* gd_14 2672 O5* C5* C4* C3* gd_17 2673 O5* C5* C4* C3* gd_7 2674 O5* C5* C4* O4* gd_8 2675 C5* C4* C3* C2* gd_17 2676 C5* C4* C3* O3* gd_7 2677 O4* C4* C3* C2* gd_7 2678 O4* C4* C3* O3* gd_8 2679 C4* C3* C2* C1* gd_17 2680 O3* C3* C2* C1* gd_7 2681 C3* C2* C1* O4* gd_17 2682 C3* C2* C1* O4* gd_7 2683 C3* C4* O4* C1* gd_14 2684 C4* O4* C1* C2* gd_14 2685 O4* C1* N9 C4 gd_6 2686 N3 C2 N2 H21 gd_4 2687 C4* C3* O3* +P gd_14 2688 2689[ DCYT ] 2690 [ atoms ] 2691 P P 0.99000 0 2692 O1P OM -0.63500 0 2693 O2P OM -0.63500 0 2694 O5* OA -0.36000 0 2695 C5* CH2 0.00000 1 2696 C4* CH1 0.16000 2 2697 O4* OA -0.36000 2 2698 C1* CH1 0.20000 2 2699 N1 NR -0.20000 3 2700 C6 CR1 0.20000 3 2701 C2 C 0.38000 4 2702 O2 O -0.38000 4 2703 N3 NR -0.36000 5 2704 C4 C 0.36000 5 2705 N4 NT -0.83000 6 2706 H41 H 0.41500 6 2707 H42 H 0.41500 6 2708 C5 CR1 0.00000 7 2709 C2* CH2 0.00000 8 2710 C3* CH1 0.000 8 2711 O3* OA -0.360 9 2712 [ bonds ] 2713 P O1P gb_23 2714 P O2P gb_23 2715 P O5* gb_27 2716 O5* C5* gb_19 2717 C5* C4* gb_25 2718 C4* O4* gb_19 2719 C4* C3* gb_25 2720 O4* C1* gb_19 2721 C1* N1 gb_22 2722 C1* C2* gb_25 2723 N1 C6 gb_16 2724 N1 C2 gb_16 2725 C6 C5 gb_15 2726 C2 O2 gb_4 2727 C2 N3 gb_11 2728 N3 C4 gb_11 2729 C4 N4 gb_8 2730 C4 C5 gb_15 2731 N4 H41 gb_2 2732 N4 H42 gb_2 2733 C2* C3* gb_25 2734 C3* O3* gb_19 2735 O3* +P gb_27 2736 [ exclusions ] 2737; ai aj 2738 C1* O2 2739 C1* N3 2740 C1* C5 2741 N1 C4 2742 C6 O2 2743 C6 N3 2744 C6 N4 2745 C2 N4 2746 C2 C5 2747 O2 C4 2748 [ angles ] 2749; ai aj ak gromos type 2750 -O P O1P ga_13 2751 -O P O2P ga_13 2752 -O P O5* ga_4 2753 O1P P O2P ga_28 2754 O1P P O5* ga_13 2755 O2P P O5* ga_13 2756 P O5* C5* ga_25 2757 O5* C5* C4* ga_8 2758 C5* C4* O4* ga_8 2759 C5* C4* C3* ga_7 2760 O4* C4* C3* ga_8 2761 C4* O4* C1* ga_9 2762 O4* C1* N1 ga_8 2763 O4* C1* C2* ga_8 2764 N1 C1* C2* ga_7 2765 C1* N1 C6 ga_26 2766 C1* N1 C2 ga_26 2767 C6 N1 C2 ga_26 2768 N1 C6 C5 ga_26 2769 N1 C2 O2 ga_26 2770 N1 C2 N3 ga_26 2771 O2 C2 N3 ga_26 2772 C2 N3 C4 ga_26 2773 N3 C4 N4 ga_26 2774 N3 C4 C5 ga_26 2775 N4 C4 C5 ga_26 2776 C4 N4 H41 ga_22 2777 C4 N4 H42 ga_22 2778 H41 N4 H42 ga_23 2779 C6 C5 C4 ga_26 2780 C1* C2* C3* ga_7 2781 C4* C3* C2* ga_7 2782 C4* C3* O3* ga_8 2783 C2* C3* O3* ga_8 2784 C3* O3* +P ga_25 2785 [ impropers ] 2786; ai aj ak al gromos type 2787 C4* O4* C5* C3* gi_2 2788 C3* C2* O3* C4* gi_2 2789 C1* N1 O4* C2* gi_2 2790 N1 C6 C2 C1* gi_1 2791 C2 N1 C6 C5 gi_1 2792 C6 N1 C2 N3 gi_1 2793 N1 C6 C5 C4 gi_1 2794 N1 C2 N3 C4 gi_1 2795 C6 C5 C4 N3 gi_1 2796 C2 N3 C4 C5 gi_1 2797 C2 N3 N1 O2 gi_1 2798 C4 C5 N3 N4 gi_1 2799 N4 H41 H42 C4 gi_1 2800 [ dihedrals ] 2801; ai aj ak al gromos type 2802 -C -O P O5* gd_11 2803 -C -O P O5* gd_9 2804 -O P O5* C5* gd_11 2805 -O P O5* C5* gd_9 2806 P O5* C5* C4* gd_14 2807 O5* C5* C4* C3* gd_17 2808 O5* C5* C4* C3* gd_7 2809 O5* C5* C4* O4* gd_8 2810 C5* C4* C3* C2* gd_17 2811 C5* C4* C3* O3* gd_7 2812 O4* C4* C3* C2* gd_7 2813 O4* C4* C3* O3* gd_8 2814 C4* C3* C2* C1* gd_17 2815 O3* C3* C2* C1* gd_7 2816 C3* C2* C1* O4* gd_17 2817 C3* C2* C1* O4* gd_7 2818 C3* C4* O4* C1* gd_14 2819 C4* O4* C1* C2* gd_14 2820 O4* C1* N1 C2 gd_6 2821 N3 C4 N4 H41 gd_4 2822 C4* C3* O3* +P gd_14 2823 2824[ DTHY ] 2825 [ atoms ] 2826 P P 0.99000 0 2827 O1P OM -0.63500 0 2828 O2P OM -0.63500 0 2829 O5* OA -0.36000 0 2830 C5* CH2 0.00000 1 2831 C4* CH1 0.16000 2 2832 O4* OA -0.36000 2 2833 C1* CH1 0.20000 2 2834 N1 NR -0.20000 3 2835 C6 CR1 0.20000 3 2836 C2 C 0.38000 4 2837 O2 O -0.38000 4 2838 N3 NR -0.28000 5 2839 H3 H 0.28000 5 2840 C4 C 0.38000 6 2841 O4 O -0.38000 6 2842 C5 C 0.00000 7 2843 C5M CH3 0.00000 7 2844 C2* CH2 0.00000 8 2845 C3* CH1 0.000 8 2846 O3* OA -0.360 9 2847 [ bonds ] 2848 P O1P gb_23 2849 P O2P gb_23 2850 P O5* gb_27 2851 O5* C5* gb_19 2852 C5* C4* gb_25 2853 C4* O4* gb_19 2854 C4* C3* gb_25 2855 O4* C1* gb_19 2856 C1* N1 gb_22 2857 C1* C2* gb_25 2858 N1 C6 gb_16 2859 N1 C2 gb_16 2860 C6 C5 gb_15 2861 C2 O2 gb_4 2862 C2 N3 gb_16 2863 N3 H3 gb_2 2864 N3 C4 gb_16 2865 C4 O4 gb_4 2866 C4 C5 gb_15 2867 C5 C5M gb_26 2868 C2* C3* gb_25 2869 C3* O3* gb_19 2870 O3* +P gb_27 2871 [ exclusions ] 2872; ai aj 2873 C1* O2 2874 C1* N3 2875 C1* C5 2876 N1 H3 2877 N1 C4 2878 N1 C5M 2879 C6 O2 2880 C6 N3 2881 C6 O4 2882 C2 O4 2883 C2 C5 2884 O2 H3 2885 O2 C4 2886 N3 C5M 2887 H3 O4 2888 H3 C5 2889 O4 C5M 2890 [ angles ] 2891; ai aj ak gromos type 2892 -O P O1P ga_13 2893 -O P O2P ga_13 2894 -O P O5* ga_4 2895 O1P P O2P ga_28 2896 O1P P O5* ga_13 2897 O2P P O5* ga_13 2898 P O5* C5* ga_25 2899 O5* C5* C4* ga_8 2900 C5* C4* O4* ga_8 2901 C5* C4* C3* ga_7 2902 O4* C4* C3* ga_8 2903 C4* O4* C1* ga_9 2904 O4* C1* N1 ga_8 2905 O4* C1* C2* ga_8 2906 N1 C1* C2* ga_7 2907 C1* N1 C6 ga_26 2908 C1* N1 C2 ga_26 2909 C6 N1 C2 ga_26 2910 N1 C6 C5 ga_26 2911 N1 C2 O2 ga_26 2912 N1 C2 N3 ga_26 2913 O2 C2 N3 ga_26 2914 C2 N3 H3 ga_24 2915 C2 N3 C4 ga_26 2916 H3 N3 C4 ga_24 2917 N3 C4 O4 ga_26 2918 N3 C4 C5 ga_26 2919 O4 C4 C5 ga_26 2920 C6 C5 C4 ga_26 2921 C6 C5 C5M ga_26 2922 C4 C5 C5M ga_26 2923 C1* C2* C3* ga_7 2924 C4* C3* C2* ga_7 2925 C4* C3* O3* ga_8 2926 C2* C3* O3* ga_8 2927 C3* O3* +P ga_25 2928 [ impropers ] 2929; ai aj ak al gromos type 2930 C4* O4* C5* C3* gi_2 2931 C3* C2* O3* C4* gi_2 2932 C1* N1 O4* C2* gi_2 2933 N1 C6 C2 C1* gi_1 2934 C2 N1 C6 C5 gi_1 2935 C6 N1 C2 N3 gi_1 2936 N1 C6 C5 C4 gi_1 2937 N1 C2 N3 C4 gi_1 2938 C6 C5 C4 N3 gi_1 2939 C2 N3 C4 C5 gi_1 2940 C2 N3 N1 O2 gi_1 2941 N3 C4 C2 H3 gi_1 2942 C4 C5 N3 O4 gi_1 2943 C5 C6 C4 C5M gi_1 2944 [ dihedrals ] 2945; ai aj ak al gromos type 2946 -C -O P O5* gd_11 2947 -C -O P O5* gd_9 2948 -O P O5* C5* gd_11 2949 -O P O5* C5* gd_9 2950 P O5* C5* C4* gd_14 2951 O5* C5* C4* C3* gd_17 2952 O5* C5* C4* C3* gd_7 2953 O5* C5* C4* O4* gd_8 2954 C5* C4* C3* C2* gd_17 2955 C5* C4* C3* O3* gd_7 2956 O4* C4* C3* C2* gd_7 2957 O4* C4* C3* O3* gd_8 2958 C4* C3* C2* C1* gd_17 2959 O3* C3* C2* C1* gd_7 2960 C3* C2* C1* O4* gd_17 2961 C3* C2* C1* O4* gd_7 2962 C3* C4* O4* C1* gd_14 2963 C4* O4* C1* C2* gd_14 2964 O4* C1* N1 C2 gd_6 2965 C4* C3* O3* +P gd_14 2966 2967[ ADE ] 2968 [ atoms ] 2969 P P 0.99000 0 2970 O1P OM -0.63500 0 2971 O2P OM -0.63500 0 2972 O5* OA -0.36000 0 2973 C5* CH2 0.00000 1 2974 C4* CH1 0.16000 2 2975 O4* OA -0.36000 2 2976 C1* CH1 0.20000 2 2977 N9 NR -0.20000 3 2978 C4 C 0.20000 3 2979 N3 NR -0.36000 4 2980 C2 CR1 0.36000 4 2981 N1 NR -0.36000 5 2982 C6 C 0.36000 5 2983 N6 NT -0.83000 6 2984 H61 H 0.41500 6 2985 H62 H 0.41500 6 2986 C5 C 0.00000 7 2987 N7 NR -0.36000 7 2988 C8 CR1 0.36000 7 2989 C2* CH1 0.15000 8 2990 O2* OA -0.54800 8 2991 H2* H 0.39800 8 2992 C3* CH1 0.000 9 2993 O3* OA -0.360 10 2994 [ bonds ] 2995 P O1P gb_23 2996 P O2P gb_23 2997 P O5* gb_27 2998 O5* C5* gb_19 2999 C5* C4* gb_25 3000 C4* O4* gb_19 3001 C4* C3* gb_25 3002 O4* C1* gb_19 3003 C1* N9 gb_21 3004 C1* C2* gb_25 3005 N9 C4 gb_9 3006 N9 C8 gb_9 3007 C4 N3 gb_11 3008 C4 C5 gb_15 3009 N3 C2 gb_6 3010 C2 N1 gb_6 3011 N1 C6 gb_11 3012 C6 N6 gb_8 3013 C6 C5 gb_15 3014 N6 H61 gb_2 3015 N6 H62 gb_2 3016 C5 N7 gb_9 3017 N7 C8 gb_9 3018 C2* O2* gb_19 3019 O2* H2* gb_1 3020 C2* C3* gb_25 3021 C3* O3* gb_19 3022 O3* +P gb_27 3023 [ exclusions ] 3024; ai aj 3025 C1* N3 3026 C1* C5 3027 C1* N7 3028 N9 C2 3029 N9 C6 3030 C4 N1 3031 C4 N6 3032 N3 C6 3033 N3 N7 3034 N3 C8 3035 C2 N6 3036 C2 C5 3037 N1 N7 3038 C6 C8 3039 N6 N7 3040 [ angles ] 3041; ai aj ak gromos type 3042 -O P O1P ga_13 3043 -O P O2P ga_13 3044 -O P O5* ga_4 3045 O1P P O2P ga_28 3046 O1P P O5* ga_13 3047 O2P P O5* ga_13 3048 P O5* C5* ga_25 3049 O5* C5* C4* ga_8 3050 C5* C4* O4* ga_8 3051 C5* C4* C3* ga_7 3052 O4* C4* C3* ga_8 3053 C4* O4* C1* ga_9 3054 O4* C1* N9 ga_8 3055 O4* C1* C2* ga_8 3056 N9 C1* C2* ga_8 3057 C1* N9 C4 ga_36 3058 C1* N9 C8 ga_36 3059 C4 N9 C8 ga_6 3060 N9 C4 N3 ga_38 3061 N9 C4 C5 ga_6 3062 N3 C4 C5 ga_26 3063 C4 N3 C2 ga_26 3064 N3 C2 N1 ga_26 3065 C2 N1 C6 ga_26 3066 N1 C6 N6 ga_26 3067 N1 C6 C5 ga_26 3068 N6 C6 C5 ga_26 3069 C6 N6 H61 ga_22 3070 C6 N6 H62 ga_22 3071 H61 N6 H62 ga_23 3072 C4 C5 C6 ga_26 3073 C4 C5 N7 ga_6 3074 C6 C5 N7 ga_38 3075 C5 N7 C8 ga_6 3076 N9 C8 N7 ga_6 3077 C1* C2* C3* ga_7 3078 C1* C2* O2* ga_8 3079 O2* C2* C3* ga_8 3080 C2* O2* H2* ga_11 3081 C4* C3* C2* ga_7 3082 C4* C3* O3* ga_8 3083 C2* C3* O3* ga_8 3084 C3* O3* +P ga_25 3085 [ impropers ] 3086; ai aj ak al gromos type 3087 C4* O4* C5* C3* gi_2 3088 C3* C2* O3* C4* gi_2 3089 C1* N9 O4* C2* gi_2 3090 N9 C8 C4 C1* gi_1 3091 C4 N9 C8 N7 gi_1 3092 C8 N9 C4 C5 gi_1 3093 N9 C8 N7 C5 gi_1 3094 N9 C4 C5 N7 gi_1 3095 C8 N7 C5 C4 gi_1 3096 C4 N9 N3 C5 gi_1 3097 C5 C6 N7 C4 gi_1 3098 N3 C4 C5 C6 gi_1 3099 C4 C5 C6 N1 gi_1 3100 C5 C4 N3 C2 gi_1 3101 C5 C6 N1 C2 gi_1 3102 C4 N3 C2 N1 gi_1 3103 N3 C2 N1 C6 gi_1 3104 C6 C5 N1 N6 gi_1 3105 N6 H61 H62 C6 gi_1 3106 C2* O2* C3* C1* gi_2 3107 [ dihedrals ] 3108; ai aj ak al gromos type 3109 -C -O P O5* gd_11 3110 -C -O P O5* gd_9 3111 -O P O5* C5* gd_11 3112 -O P O5* C5* gd_9 3113 P O5* C5* C4* gd_14 3114 O5* C5* C4* C3* gd_17 3115 O5* C5* C4* C3* gd_7 3116 O5* C5* C4* O4* gd_8 3117 C5* C4* C3* C2* gd_17 3118 C5* C4* C3* O3* gd_7 3119 O4* C4* C3* C2* gd_7 3120 O4* C4* C3* O3* gd_8 3121 C4* C3* C2* C1* gd_17 3122 O3* C3* C2* C1* gd_7 3123 C4* C3* C2* O2* gd_7 3124 O3* C3* C2* O2* gd_8 3125 C3* C2* C1* O4* gd_17 3126 C3* C2* C1* O4* gd_7 3127 O2* C2* C1* N9 gd_7 3128 O2* C2* C1* O4* gd_8 3129 C1* C2* O2* H2* gd_12 3130 C3* C4* O4* C1* gd_14 3131 C4* O4* C1* C2* gd_14 3132 O4* C1* N9 C4 gd_6 3133 C5 C6 N6 H61 gd_4 3134 C4* C3* O3* +P gd_14 3135 3136[ GUA ] 3137 [ atoms ] 3138 P P 0.99000 0 3139 O1P OM -0.63500 0 3140 O2P OM -0.63500 0 3141 O5* OA -0.36000 0 3142 C5* CH2 0.00000 1 3143 C4* CH1 0.16000 2 3144 O4* OA -0.36000 2 3145 C1* CH1 0.20000 2 3146 N9 NR -0.20000 3 3147 C4 C 0.20000 3 3148 N3 NR -0.36000 4 3149 C2 C 0.36000 4 3150 N2 NT -0.83000 5 3151 H21 H 0.41500 5 3152 H22 H 0.41500 5 3153 N1 NR -0.28000 6 3154 H1 H 0.28000 6 3155 C6 C 0.38000 7 3156 O6 O -0.38000 7 3157 C5 C 0.00000 8 3158 N7 NR -0.36000 8 3159 C8 CR1 0.36000 8 3160 C2* CH1 0.15000 9 3161 O2* OA -0.54800 9 3162 H2* H 0.39800 9 3163 C3* CH1 0.000 10 3164 O3* OA -0.360 11 3165 [ bonds ] 3166 P O1P gb_23 3167 P O2P gb_23 3168 P O5* gb_27 3169 O5* C5* gb_19 3170 C5* C4* gb_25 3171 C4* O4* gb_19 3172 C4* C3* gb_25 3173 O4* C1* gb_19 3174 C1* N9 gb_21 3175 C1* C2* gb_25 3176 N9 C4 gb_9 3177 N9 C8 gb_9 3178 C4 N3 gb_11 3179 C4 C5 gb_15 3180 N3 C2 gb_11 3181 C2 N2 gb_8 3182 C2 N1 gb_16 3183 N2 H21 gb_2 3184 N2 H22 gb_2 3185 N1 H1 gb_2 3186 N1 C6 gb_16 3187 C6 O6 gb_4 3188 C6 C5 gb_15 3189 C5 N7 gb_9 3190 N7 C8 gb_9 3191 C2* O2* gb_19 3192 O2* H2* gb_1 3193 C2* C3* gb_25 3194 C3* O3* gb_19 3195 O3* +P gb_27 3196 [ exclusions ] 3197; ai aj 3198 C1* N3 3199 C1* C5 3200 C1* N7 3201 N9 C2 3202 N9 C6 3203 C4 N2 3204 C4 N1 3205 C4 O6 3206 N3 H1 3207 N3 C6 3208 N3 N7 3209 N3 C8 3210 C2 O6 3211 C2 C5 3212 N2 H1 3213 N2 C6 3214 N1 N7 3215 H1 O6 3216 H1 C5 3217 C6 C8 3218 O6 N7 3219 [ angles ] 3220; ai aj ak gromos type 3221 -O P O1P ga_13 3222 -O P O2P ga_13 3223 -O P O5* ga_4 3224 O1P P O2P ga_28 3225 O1P P O5* ga_13 3226 O2P P O5* ga_13 3227 P O5* C5* ga_25 3228 O5* C5* C4* ga_8 3229 C5* C4* O4* ga_8 3230 C5* C4* C3* ga_7 3231 O4* C4* C3* ga_8 3232 C4* O4* C1* ga_9 3233 O4* C1* N9 ga_8 3234 O4* C1* C2* ga_8 3235 N9 C1* C2* ga_8 3236 C1* N9 C4 ga_36 3237 C1* N9 C8 ga_36 3238 C4 N9 C8 ga_6 3239 N9 C4 N3 ga_38 3240 N9 C4 C5 ga_6 3241 N3 C4 C5 ga_26 3242 C4 N3 C2 ga_26 3243 N3 C2 N2 ga_26 3244 N3 C2 N1 ga_26 3245 N2 C2 N1 ga_26 3246 C2 N2 H21 ga_22 3247 C2 N2 H22 ga_22 3248 H21 N2 H22 ga_23 3249 C2 N1 H1 ga_24 3250 C2 N1 C6 ga_26 3251 H1 N1 C6 ga_24 3252 N1 C6 O6 ga_26 3253 N1 C6 C5 ga_26 3254 O6 C6 C5 ga_26 3255 C4 C5 C6 ga_26 3256 C4 C5 N7 ga_6 3257 C6 C5 N7 ga_38 3258 C5 N7 C8 ga_6 3259 N9 C8 N7 ga_6 3260 C1* C2* C3* ga_7 3261 C1* C2* O2* ga_8 3262 O2* C2* C3* ga_8 3263 C2* O2* H2* ga_11 3264 C4* C3* C2* ga_7 3265 C4* C3* O3* ga_8 3266 C2* C3* O3* ga_8 3267 C3* O3* +P ga_25 3268 [ impropers ] 3269; ai aj ak al gromos type 3270 C4* O4* C5* C3* gi_2 3271 C3* C2* O3* C4* gi_2 3272 C1* N9 O4* C2* gi_2 3273 N9 C8 C4 C1* gi_1 3274 C4 N9 C8 N7 gi_1 3275 C8 N9 C4 C5 gi_1 3276 N9 C8 N7 C5 gi_1 3277 N9 C4 C5 N7 gi_1 3278 C8 N7 C5 C4 gi_1 3279 C4 N9 N3 C5 gi_1 3280 C5 C6 N7 C4 gi_1 3281 N3 C4 C5 C6 gi_1 3282 C4 C5 C6 N1 gi_1 3283 C5 C4 N3 C2 gi_1 3284 C5 C6 N1 C2 gi_1 3285 C4 N3 C2 N1 gi_1 3286 N3 C2 N1 C6 gi_1 3287 C2 N1 N3 N2 gi_1 3288 N2 H21 H22 C2 gi_1 3289 N1 C6 C2 H1 gi_1 3290 C6 C5 N1 O6 gi_1 3291 C2* O2* C3* C1* gi_2 3292 [ dihedrals ] 3293; ai aj ak al gromos type 3294 -C -O P O5* gd_11 3295 -C -O P O5* gd_9 3296 -O P O5* C5* gd_11 3297 -O P O5* C5* gd_9 3298 P O5* C5* C4* gd_14 3299 O5* C5* C4* C3* gd_17 3300 O5* C5* C4* C3* gd_7 3301 O5* C5* C4* O4* gd_8 3302 C5* C4* C3* C2* gd_17 3303 C5* C4* C3* O3* gd_7 3304 O4* C4* C3* C2* gd_7 3305 O4* C4* C3* O3* gd_8 3306 C4* C3* C2* C1* gd_17 3307 O3* C3* C2* C1* gd_7 3308 C4* C3* C2* O2* gd_7 3309 O3* C3* C2* O2* gd_8 3310 C3* C2* C1* O4* gd_17 3311 C3* C2* C1* O4* gd_7 3312 O2* C2* C1* N9 gd_7 3313 O2* C2* C1* O4* gd_8 3314 C1* C2* O2* H2* gd_12 3315 C3* C4* O4* C1* gd_14 3316 C4* O4* C1* C2* gd_14 3317 O4* C1* N9 C4 gd_6 3318 N3 C2 N2 H21 gd_4 3319 C4* C3* O3* +P gd_14 3320 3321[ CYT ] 3322 [ atoms ] 3323 P P 0.99000 0 3324 O1P OM -0.63500 0 3325 O2P OM -0.63500 0 3326 O5* OA -0.36000 0 3327 C5* CH2 0.00000 1 3328 C4* CH1 0.16000 2 3329 O4* OA -0.36000 2 3330 C1* CH1 0.20000 2 3331 N1 NR -0.20000 3 3332 C6 CR1 0.20000 3 3333 C2 C 0.38000 4 3334 O2 O -0.38000 4 3335 N3 NR -0.36000 5 3336 C4 C 0.36000 5 3337 N4 NT -0.83000 6 3338 H41 H 0.41500 6 3339 H42 H 0.41500 6 3340 C5 CR1 0.00000 7 3341 C2* CH1 0.15000 8 3342 O2* OA -0.54800 8 3343 H2* H 0.39800 8 3344 C3* CH1 0.000 9 3345 O3* OA -0.360 10 3346 [ bonds ] 3347 P O1P gb_23 3348 P O2P gb_23 3349 P O5* gb_27 3350 O5* C5* gb_19 3351 C5* C4* gb_25 3352 C4* O4* gb_19 3353 C4* C3* gb_25 3354 O4* C1* gb_19 3355 C1* N1 gb_22 3356 C1* C2* gb_25 3357 N1 C6 gb_16 3358 N1 C2 gb_16 3359 C6 C5 gb_15 3360 C2 O2 gb_4 3361 C2 N3 gb_11 3362 N3 C4 gb_11 3363 C4 N4 gb_8 3364 C4 C5 gb_15 3365 N4 H41 gb_2 3366 N4 H42 gb_2 3367 C2* O2* gb_19 3368 O2* H2* gb_1 3369 C2* C3* gb_25 3370 C3* O3* gb_19 3371 O3* +P gb_27 3372 [ exclusions ] 3373; ai aj 3374 C1* O2 3375 C1* N3 3376 C1* C5 3377 N1 C4 3378 C6 O2 3379 C6 N3 3380 C6 N4 3381 C2 N4 3382 C2 C5 3383 O2 C4 3384 [ angles ] 3385; ai aj ak gromos type 3386 -O P O1P ga_13 3387 -O P O2P ga_13 3388 -O P O5* ga_4 3389 O1P P O2P ga_28 3390 O1P P O5* ga_13 3391 O2P P O5* ga_13 3392 P O5* C5* ga_25 3393 O5* C5* C4* ga_8 3394 C5* C4* O4* ga_8 3395 C5* C4* C3* ga_7 3396 O4* C4* C3* ga_8 3397 C4* O4* C1* ga_9 3398 O4* C1* N1 ga_8 3399 O4* C1* C2* ga_8 3400 N1 C1* C2* ga_7 3401 C1* N1 C6 ga_26 3402 C1* N1 C2 ga_26 3403 C6 N1 C2 ga_26 3404 N1 C6 C5 ga_26 3405 N1 C2 O2 ga_26 3406 N1 C2 N3 ga_26 3407 O2 C2 N3 ga_26 3408 C2 N3 C4 ga_26 3409 N3 C4 N4 ga_26 3410 N3 C4 C5 ga_26 3411 N4 C4 C5 ga_26 3412 C4 N4 H41 ga_22 3413 C4 N4 H42 ga_22 3414 H41 N4 H42 ga_23 3415 C6 C5 C4 ga_26 3416 C1* C2* C3* ga_7 3417 C1* C2* O2* ga_8 3418 O2* C2* C3* ga_8 3419 C2* O2* H2* ga_11 3420 C4* C3* C2* ga_7 3421 C4* C3* O3* ga_8 3422 C2* C3* O3* ga_8 3423 C3* O3* +P ga_25 3424 [ impropers ] 3425; ai aj ak al gromos type 3426 C4* O4* C5* C3* gi_2 3427 C3* C2* O3* C4* gi_2 3428 C1* N1 O4* C2* gi_2 3429 N1 C6 C2 C1* gi_1 3430 C2 N1 C6 C5 gi_1 3431 C6 N1 C2 N3 gi_1 3432 N1 C6 C5 C4 gi_1 3433 N1 C2 N3 C4 gi_1 3434 C6 C5 C4 N3 gi_1 3435 C2 N3 C4 C5 gi_1 3436 C2 N3 N1 O2 gi_1 3437 C4 C5 N3 N4 gi_1 3438 N4 H41 H42 C4 gi_1 3439 C2* O2* C3* C1* gi_2 3440 [ dihedrals ] 3441; ai aj ak al gromos type 3442 -C -O P O5* gd_11 3443 -C -O P O5* gd_9 3444 -O P O5* C5* gd_11 3445 -O P O5* C5* gd_9 3446 P O5* C5* C4* gd_14 3447 O5* C5* C4* C3* gd_17 3448 O5* C5* C4* C3* gd_7 3449 O5* C5* C4* O4* gd_8 3450 C5* C4* C3* C2* gd_17 3451 C5* C4* C3* O3* gd_7 3452 O4* C4* C3* C2* gd_7 3453 O4* C4* C3* O3* gd_8 3454 C4* C3* C2* C1* gd_17 3455 O3* C3* C2* C1* gd_7 3456 C4* C3* C2* O2* gd_7 3457 O3* C3* C2* O2* gd_8 3458 C3* C2* C1* O4* gd_17 3459 C3* C2* C1* O4* gd_7 3460 O2* C2* C1* N1 gd_7 3461 O2* C2* C1* O4* gd_8 3462 C1* C2* O2* H2* gd_12 3463 C3* C4* O4* C1* gd_14 3464 C4* O4* C1* C2* gd_14 3465 O4* C1* N1 C2 gd_6 3466 N3 C4 N4 H41 gd_4 3467 C4* C3* O3* +P gd_14 3468 3469[ URA ] 3470 [ atoms ] 3471 P P 0.99000 0 3472 O1P OM -0.63500 0 3473 O2P OM -0.63500 0 3474 O5* OA -0.36000 0 3475 C5* CH2 0.00000 1 3476 C4* CH1 0.16000 2 3477 O4* OA -0.36000 2 3478 C1* CH1 0.20000 2 3479 N1 NR -0.20000 3 3480 C6 CR1 0.20000 3 3481 C2 C 0.38000 4 3482 O2 O -0.38000 4 3483 N3 NR -0.28000 5 3484 H3 H 0.28000 5 3485 C4 C 0.38000 6 3486 O4 O -0.38000 6 3487 C5 CR1 0.00000 7 3488 C2* CH1 0.15000 8 3489 O2* OA -0.54800 8 3490 H2* H 0.39800 8 3491 C3* CH1 0.000 9 3492 O3* OA -0.360 10 3493 [ bonds ] 3494 P O1P gb_23 3495 P O2P gb_23 3496 P O5* gb_27 3497 O5* C5* gb_19 3498 C5* C4* gb_25 3499 C4* O4* gb_19 3500 C4* C3* gb_25 3501 O4* C1* gb_19 3502 C1* N1 gb_22 3503 C1* C2* gb_25 3504 N1 C6 gb_16 3505 N1 C2 gb_16 3506 C6 C5 gb_15 3507 C2 O2 gb_4 3508 C2 N3 gb_16 3509 N3 H3 gb_2 3510 N3 C4 gb_16 3511 C4 O4 gb_4 3512 C4 C5 gb_15 3513 C2* O2* gb_19 3514 O2* H2* gb_1 3515 C2* C3* gb_25 3516 C3* O3* gb_19 3517 O3* +P gb_27 3518 [ exclusions ] 3519; ai aj 3520 C1* O2 3521 C1* N3 3522 C1* C5 3523 N1 H3 3524 N1 C4 3525 C6 O2 3526 C6 N3 3527 C6 O4 3528 C2 O4 3529 C2 C5 3530 O2 H3 3531 O2 C4 3532 H3 O4 3533 H3 C5 3534 [ angles ] 3535; ai aj ak gromos type 3536 -O P O1P ga_13 3537 -O P O2P ga_13 3538 -O P O5* ga_4 3539 O1P P O2P ga_28 3540 O1P P O5* ga_13 3541 O2P P O5* ga_13 3542 P O5* C5* ga_25 3543 O5* C5* C4* ga_8 3544 C5* C4* O4* ga_8 3545 C5* C4* C3* ga_7 3546 O4* C4* C3* ga_8 3547 C4* O4* C1* ga_9 3548 O4* C1* N1 ga_8 3549 O4* C1* C2* ga_8 3550 N1 C1* C2* ga_7 3551 C1* N1 C6 ga_26 3552 C1* N1 C2 ga_26 3553 C6 N1 C2 ga_26 3554 N1 C6 C5 ga_26 3555 N1 C2 O2 ga_26 3556 N1 C2 N3 ga_26 3557 O2 C2 N3 ga_26 3558 C2 N3 H3 ga_24 3559 C2 N3 C4 ga_26 3560 H3 N3 C4 ga_24 3561 N3 C4 O4 ga_26 3562 N3 C4 C5 ga_26 3563 O4 C4 C5 ga_26 3564 C6 C5 C4 ga_26 3565 C1* C2* C3* ga_7 3566 C1* C2* O2* ga_8 3567 O2* C2* C3* ga_8 3568 C2* O2* H2* ga_11 3569 C4* C3* C2* ga_7 3570 C4* C3* O3* ga_8 3571 C2* C3* O3* ga_8 3572 C3* O3* +P ga_25 3573 [ impropers ] 3574; ai aj ak al gromos type 3575 C4* O4* C5* C3* gi_2 3576 C3* C2* O3* C4* gi_2 3577 C1* N1 O4* C2* gi_2 3578 N1 C6 C2 C1* gi_1 3579 C2 N1 C6 C5 gi_1 3580 C6 N1 C2 N3 gi_1 3581 N1 C6 C5 C4 gi_1 3582 N1 C2 N3 C4 gi_1 3583 C6 C5 C4 N3 gi_1 3584 C2 N3 C4 C5 gi_1 3585 C2 N3 N1 O2 gi_1 3586 N3 C4 C2 H3 gi_1 3587 C4 C5 N3 O4 gi_1 3588 C2* O2* C3* C1* gi_2 3589 [ dihedrals ] 3590; ai aj ak al gromos type 3591 -C -O P O5* gd_11 3592 -C -O P O5* gd_9 3593 -O P O5* C5* gd_11 3594 -O P O5* C5* gd_9 3595 P O5* C5* C4* gd_14 3596 O5* C5* C4* C3* gd_17 3597 O5* C5* C4* C3* gd_7 3598 O5* C5* C4* O4* gd_8 3599 C5* C4* C3* C2* gd_17 3600 C5* C4* C3* O3* gd_7 3601 O4* C4* C3* C2* gd_7 3602 O4* C4* C3* O3* gd_8 3603 C4* C3* C2* C1* gd_17 3604 O3* C3* C2* C1* gd_7 3605 C4* C3* C2* O2* gd_7 3606 O3* C3* C2* O2* gd_8 3607 C3* C2* C1* O4* gd_17 3608 C3* C2* C1* O4* gd_7 3609 O2* C2* C1* N1 gd_7 3610 O2* C2* C1* O4* gd_8 3611 C1* C2* O2* H2* gd_12 3612 C3* C4* O4* C1* gd_14 3613 C4* O4* C1* C2* gd_14 3614 O4* C1* N1 C2 gd_6 3615 C4* C3* O3* +P gd_14 3616 3617[ FMNO ] 3618 [ atoms ] 3619 FC9A C 0.20000 0 3620 FN10 NR -0.20000 0 3621FC10A C 0.36000 1 3622 FN1 NR -0.36000 1 3623 FC2 C 0.38000 2 3624 FO2 O -0.38000 2 3625 FN3 NR -0.28000 3 3626 FH3 H 0.28000 3 3627 FC4 C 0.38000 4 3628 FO4 O -0.38000 4 3629 FC4A C 0.18000 5 3630 FN5 NR -0.28000 5 3631 FC5A C 0.10000 5 3632 FC6 CR1 0.00000 6 3633 FC7 C 0.00000 7 3634 FCM7 CH3 0.00000 7 3635 FC8 C 0.00000 8 3636 FCM8 CH3 0.00000 8 3637 FC9 CR1 0.00000 9 3638 FCA CH2 0.00000 10 3639 FCB CH1 0.15000 11 3640 FOB OA -0.54800 11 3641 FHB H 0.39800 11 3642 FCG CH1 0.15000 12 3643 FOG OA -0.54800 12 3644 FHG H 0.39800 12 3645 FCD CH1 0.15000 13 3646 FOD OA -0.54800 13 3647 FHD H 0.39800 13 3648 FCE CH2 0.15000 14 3649 FOZ OA -0.36000 14 3650 FPH P 0.63000 14 3651 FOH OA -0.54800 14 3652 FHH H 0.39800 14 3653 FOT1 OM -0.63500 14 3654 FOT2 OM -0.63500 14 3655 [ bonds ] 3656 FC9A FN10 gb_16 3657 FC9A FC5A gb_15 3658 FC9A FC9 gb_15 3659 FN10 FC10A gb_16 3660 FN10 FCA gb_22 3661FC10A FN1 gb_11 3662FC10A FC4A gb_15 3663 FN1 FC2 gb_11 3664 FC2 FO2 gb_4 3665 FC2 FN3 gb_16 3666 FN3 FH3 gb_2 3667 FN3 FC4 gb_16 3668 FC4 FO4 gb_4 3669 FC4 FC4A gb_15 3670 FC4A FN5 gb_11 3671 FN5 FC5A gb_11 3672 FC5A FC6 gb_15 3673 FC6 FC7 gb_15 3674 FC7 FCM7 gb_26 3675 FC7 FC8 gb_15 3676 FC8 FCM8 gb_26 3677 FC8 FC9 gb_15 3678 FCA FCB gb_26 3679 FCB FOB gb_17 3680 FCB FCG gb_26 3681 FOB FHB gb_1 3682 FCG FOG gb_17 3683 FCG FCD gb_26 3684 FOG FHG gb_1 3685 FCD FOD gb_17 3686 FCD FCE gb_26 3687 FOD FHD gb_1 3688 FCE FOZ gb_17 3689 FOZ FPH gb_27 3690 FPH FOH gb_27 3691 FPH FOT1 gb_23 3692 FPH FOT2 gb_23 3693 FOH FHH gb_1 3694 [ exclusions ] 3695; ai aj 3696 FC9A FN1 3697 FC9A FC4A 3698 FC9A FC7 3699 FC9A FCM8 3700 FN10 FC2 3701 FN10 FC4 3702 FN10 FN5 3703 FN10 FC6 3704 FN10 FC8 3705FC10A FO2 3706FC10A FN3 3707FC10A FO4 3708FC10A FC5A 3709FC10A FC9 3710 FN1 FH3 3711 FN1 FC4 3712 FN1 FN5 3713 FN1 FCA 3714 FC2 FO4 3715 FC2 FC4A 3716 FO2 FH3 3717 FO2 FC4 3718 FN3 FN5 3719 FH3 FO4 3720 FH3 FC4A 3721 FC4 FC5A 3722 FO4 FN5 3723 FC4A FC6 3724 FC4A FCA 3725 FN5 FC7 3726 FN5 FC9 3727 FC5A FCM7 3728 FC5A FC8 3729 FC5A FCA 3730 FC6 FCM8 3731 FC6 FC9 3732 FCM7 FCM8 3733 FCM7 FC9 3734 FC9 FCA 3735 FOZ FHH 3736 FHH FOT1 3737 FHH FOT2 3738 [ angles ] 3739; ai aj ak gromos type 3740 FN10 FC9A FC5A ga_26 3741 FN10 FC9A FC9 ga_26 3742 FC5A FC9A FC9 ga_26 3743 FC9A FN10 FC10A ga_26 3744 FC9A FN10 FCA ga_26 3745FC10A FN10 FCA ga_26 3746 FN10 FC10A FN1 ga_26 3747 FN10 FC10A FC4A ga_26 3748 FN1 FC10A FC4A ga_26 3749FC10A FN1 FC2 ga_26 3750 FN1 FC2 FO2 ga_26 3751 FN1 FC2 FN3 ga_26 3752 FO2 FC2 FN3 ga_26 3753 FC2 FN3 FH3 ga_24 3754 FC2 FN3 FC4 ga_26 3755 FH3 FN3 FC4 ga_24 3756 FN3 FC4 FO4 ga_26 3757 FN3 FC4 FC4A ga_26 3758 FO4 FC4 FC4A ga_26 3759FC10A FC4A FC4 ga_26 3760FC10A FC4A FN5 ga_26 3761 FC4 FC4A FN5 ga_26 3762 FC4A FN5 FC5A ga_26 3763 FC9A FC5A FN5 ga_26 3764 FC9A FC5A FC6 ga_26 3765 FN5 FC5A FC6 ga_26 3766 FC5A FC6 FC7 ga_26 3767 FC6 FC7 FCM7 ga_26 3768 FC6 FC7 FC8 ga_26 3769 FCM7 FC7 FC8 ga_26 3770 FC7 FC8 FCM8 ga_26 3771 FC7 FC8 FC9 ga_26 3772 FCM8 FC8 FC9 ga_26 3773 FC9A FC9 FC8 ga_26 3774 FN10 FCA FCB ga_14 3775 FCA FCB FOB ga_14 3776 FCA FCB FCG ga_14 3777 FOB FCB FCG ga_12 3778 FCB FOB FHB ga_11 3779 FCB FCG FOG ga_12 3780 FCB FCG FCD ga_14 3781 FOG FCG FCD ga_12 3782 FCG FOG FHG ga_11 3783 FCG FCD FOD ga_12 3784 FCG FCD FCE ga_14 3785 FOD FCD FCE ga_14 3786 FCD FOD FHD ga_11 3787 FCD FCE FOZ ga_14 3788 FCE FOZ FPH ga_25 3789 FOZ FPH FOH ga_4 3790 FOZ FPH FOT1 ga_13 3791 FOZ FPH FOT2 ga_13 3792 FOH FPH FOT1 ga_13 3793 FOH FPH FOT2 ga_13 3794 FOT1 FPH FOT2 ga_28 3795 FPH FOH FHH ga_11 3796 [ impropers ] 3797; ai aj ak al gromos type 3798 FC2 FN1 FN3 FO2 gi_1 3799 FN3 FC2 FC4 FH3 gi_1 3800 FC4 FN3 FC4A FO4 gi_1 3801 FN1 FC2 FN3 FC4 gi_1 3802 FC2 FN3 FC4 FC4A gi_1 3803 FN3 FC4 FC4A FC10A gi_1 3804 FC4 FC4A FC10A FN1 gi_1 3805 FC4A FC10A FN1 FC2 gi_1 3806FC10A FN1 FC2 FN3 gi_1 3807 FC4A FC4 FN5 FC10A gi_1 3808FC10A FN1 FN10 FC4A gi_1 3809 FN10 FC10A FC4A FN5 gi_1 3810 FN10 FC9A FC5A FN5 gi_1 3811 FC5A FN5 FC6 FC9A gi_1 3812 FC9A FN10 FC9 FC5A gi_1 3813 FC5A FC6 FC7 FC8 gi_1 3814 FC6 FC7 FC8 FC9 gi_1 3815 FC7 FC8 FC9 FC9A gi_1 3816 FC8 FC9 FC9A FC5A gi_1 3817 FC9 FC9A FC5A FC6 gi_1 3818 FC9A FC5A FC6 FC7 gi_1 3819 FC7 FC6 FC8 FCM7 gi_1 3820 FC8 FC7 FC9 FCM8 gi_1 3821 FCB FOB FCG FCA gi_2 3822 FCG FOG FCD FCB gi_2 3823 FCD FOD FCE FCG gi_2 3824 [ dihedrals ] 3825; ai aj ak al gromos type 3826FC10A FC4A FN5 FC5A gd_4 3827 FC4A FN5 FC5A FC9A gd_4 3828 FC5A FC9A FN10 FC10A gd_4 3829 FC9A FN10 FC10A FC4A gd_4 3830 FC9A FN10 FCA FCB gd_20 3831 FN10 FCA FCB FCG gd_17 3832 FCA FCB FOB FHB gd_12 3833 FCA FCB FCG FCD gd_17 3834 FCB FCG FOG FHG gd_12 3835 FCB FCG FCD FCE gd_17 3836 FCG FCD FOD FHD gd_12 3837 FCG FCD FCE FOZ gd_17 3838 FCD FCE FOZ FPH gd_14 3839 FCE FOZ FPH FOH gd_11 3840 FCE FOZ FPH FOH gd_9 3841 FOZ FPH FOH FHH gd_11 3842 FOZ FPH FOH FHH gd_9 3843 3844[ FMNS ] 3845 [ atoms ] 3846 FC9A C 0.20000 0 3847 FN10 NR -0.20000 0 3848FC10A C 0.36000 1 3849 FN1 NR -0.36000 1 3850 FC2 C 0.38000 2 3851 FO2 O -0.38000 2 3852 FN3 NR -0.28000 3 3853 FH3 H 0.28000 3 3854 FC4 C 0.38000 4 3855 FO4 O -0.38000 4 3856 FC4A C 0.00000 5 3857 FN5 NR -0.28000 6 3858 FH5 H 0.28000 6 3859 FC5A C 0.00000 7 3860 FC6 CR1 0.00000 8 3861 FC7 C 0.00000 9 3862 FCM7 CH3 0.00000 9 3863 FC8 C 0.00000 10 3864 FCM8 CH3 0.00000 10 3865 FC9 CR1 0.00000 11 3866 FCA CH2 0.00000 12 3867 FCB CH1 0.15000 13 3868 FOB OA -0.54800 13 3869 FHB H 0.39800 13 3870 FCG CH1 0.15000 14 3871 FOG OA -0.54800 14 3872 FHG H 0.39800 14 3873 FCD CH1 0.15000 15 3874 FOD OA -0.54800 15 3875 FHD H 0.39800 15 3876 FCE CH2 0.15000 16 3877 FOZ OA -0.36000 16 3878 FPH P 0.63000 16 3879 FOH OA -0.54800 16 3880 FHH H 0.39800 16 3881 FOT1 OM -0.63500 16 3882 FOT2 OM -0.63500 16 3883 [ bonds ] 3884 FC9A FN10 gb_16 3885 FC9A FC5A gb_15 3886 FC9A FC9 gb_15 3887 FN10 FC10A gb_16 3888 FN10 FCA gb_22 3889FC10A FN1 gb_11 3890FC10A FC4A gb_15 3891 FN1 FC2 gb_11 3892 FC2 FO2 gb_4 3893 FC2 FN3 gb_16 3894 FN3 FH3 gb_2 3895 FN3 FC4 gb_16 3896 FC4 FO4 gb_4 3897 FC4 FC4A gb_15 3898 FC4A FN5 gb_16 3899 FN5 FH5 gb_2 3900 FN5 FC5A gb_16 3901 FC5A FC6 gb_15 3902 FC6 FC7 gb_15 3903 FC7 FCM7 gb_26 3904 FC7 FC8 gb_15 3905 FC8 FCM8 gb_26 3906 FC8 FC9 gb_15 3907 FCA FCB gb_26 3908 FCB FOB gb_17 3909 FCB FCG gb_26 3910 FOB FHB gb_1 3911 FCG FOG gb_17 3912 FCG FCD gb_26 3913 FOG FHG gb_1 3914 FCD FOD gb_17 3915 FCD FCE gb_26 3916 FOD FHD gb_1 3917 FCE FOZ gb_17 3918 FOZ FPH gb_27 3919 FPH FOH gb_27 3920 FPH FOT1 gb_23 3921 FPH FOT2 gb_23 3922 FOH FHH gb_1 3923 [ exclusions ] 3924; ai aj 3925 FC9A FN1 3926 FC9A FC4A 3927 FC9A FH5 3928 FC9A FC7 3929 FC9A FCM8 3930 FN10 FC2 3931 FN10 FC4 3932 FN10 FN5 3933 FN10 FC6 3934 FN10 FC8 3935FC10A FO2 3936FC10A FN3 3937FC10A FO4 3938FC10A FH5 3939FC10A FC5A 3940FC10A FC9 3941 FN1 FH3 3942 FN1 FC4 3943 FN1 FN5 3944 FN1 FCA 3945 FC2 FO4 3946 FC2 FC4A 3947 FO2 FH3 3948 FO2 FC4 3949 FN3 FN5 3950 FH3 FO4 3951 FH3 FC4A 3952 FC4 FH5 3953 FC4 FC5A 3954 FO4 FN5 3955 FC4A FC6 3956 FC4A FCA 3957 FN5 FC7 3958 FN5 FC9 3959 FH5 FC6 3960 FC5A FCM7 3961 FC5A FC8 3962 FC5A FCA 3963 FC6 FCM8 3964 FC6 FC9 3965 FCM7 FCM8 3966 FCM7 FC9 3967 FC9 FCA 3968 FOZ FHH 3969 FHH FOT1 3970 FHH FOT2 3971 [ angles ] 3972; ai aj ak gromos type 3973 FN10 FC9A FC5A ga_26 3974 FN10 FC9A FC9 ga_26 3975 FC5A FC9A FC9 ga_26 3976 FC9A FN10 FC10A ga_26 3977 FC9A FN10 FCA ga_26 3978FC10A FN10 FCA ga_26 3979 FN10 FC10A FN1 ga_26 3980 FN10 FC10A FC4A ga_26 3981 FN1 FC10A FC4A ga_26 3982FC10A FN1 FC2 ga_26 3983 FN1 FC2 FO2 ga_26 3984 FN1 FC2 FN3 ga_26 3985 FO2 FC2 FN3 ga_26 3986 FC2 FN3 FH3 ga_24 3987 FC2 FN3 FC4 ga_26 3988 FH3 FN3 FC4 ga_24 3989 FN3 FC4 FO4 ga_26 3990 FN3 FC4 FC4A ga_26 3991 FO4 FC4 FC4A ga_26 3992FC10A FC4A FC4 ga_26 3993FC10A FC4A FN5 ga_26 3994 FC4 FC4A FN5 ga_26 3995 FC4A FN5 FH5 ga_24 3996 FC4A FN5 FC5A ga_26 3997 FH5 FN5 FC5A ga_24 3998 FC9A FC5A FN5 ga_26 3999 FC9A FC5A FC6 ga_26 4000 FN5 FC5A FC6 ga_26 4001 FC5A FC6 FC7 ga_26 4002 FC6 FC7 FCM7 ga_26 4003 FC6 FC7 FC8 ga_26 4004 FCM7 FC7 FC8 ga_26 4005 FC7 FC8 FCM8 ga_26 4006 FC7 FC8 FC9 ga_26 4007 FCM8 FC8 FC9 ga_26 4008 FC9A FC9 FC8 ga_26 4009 FN10 FCA FCB ga_14 4010 FCA FCB FOB ga_14 4011 FCA FCB FCG ga_14 4012 FOB FCB FCG ga_12 4013 FCB FOB FHB ga_11 4014 FCB FCG FOG ga_12 4015 FCB FCG FCD ga_14 4016 FOG FCG FCD ga_12 4017 FCG FOG FHG ga_11 4018 FCG FCD FOD ga_12 4019 FCG FCD FCE ga_14 4020 FOD FCD FCE ga_14 4021 FCD FOD FHD ga_11 4022 FCD FCE FOZ ga_14 4023 FCE FOZ FPH ga_25 4024 FOZ FPH FOH ga_4 4025 FOZ FPH FOT1 ga_13 4026 FOZ FPH FOT2 ga_13 4027 FOH FPH FOT1 ga_13 4028 FOH FPH FOT2 ga_13 4029 FOT1 FPH FOT2 ga_28 4030 FPH FOH FHH ga_11 4031 [ impropers ] 4032; ai aj ak al gromos type 4033 FC2 FN1 FN3 FO2 gi_1 4034 FN3 FC2 FC4 FH3 gi_1 4035 FC4 FN3 FC4A FO4 gi_1 4036 FN1 FC2 FN3 FC4 gi_1 4037 FC2 FN3 FC4 FC4A gi_1 4038 FN3 FC4 FC4A FC10A gi_1 4039 FC4 FC4A FC10A FN1 gi_1 4040 FC4A FC10A FN1 FC2 gi_1 4041FC10A FN1 FC2 FN3 gi_1 4042 FC4A FC4 FN5 FC10A gi_1 4043FC10A FN1 FN10 FC4A gi_1 4044 FN10 FC10A FC4A FN5 gi_1 4045 FN10 FC9A FC5A FN5 gi_1 4046 FC5A FN5 FC6 FC9A gi_1 4047 FC9A FN10 FC9 FC5A gi_1 4048 FC5A FC6 FC7 FC8 gi_1 4049 FC6 FC7 FC8 FC9 gi_1 4050 FC7 FC8 FC9 FC9A gi_1 4051 FC8 FC9 FC9A FC5A gi_1 4052 FC9 FC9A FC5A FC6 gi_1 4053 FC9A FC5A FC6 FC7 gi_1 4054 FC7 FC6 FC8 FCM7 gi_1 4055 FC8 FC7 FC9 FCM8 gi_1 4056 FCB FOB FCG FCA gi_2 4057 FCG FOG FCD FCB gi_2 4058 FCD FOD FCE FCG gi_2 4059 [ dihedrals ] 4060; ai aj ak al gromos type 4061FC10A FC4A FN5 FC5A gd_4 4062 FC4A FN5 FC5A FC9A gd_4 4063 FC5A FC9A FN10 FC10A gd_4 4064 FC9A FN10 FC10A FC4A gd_4 4065 FC9A FN10 FCA FCB gd_20 4066 FN10 FCA FCB FCG gd_17 4067 FCA FCB FOB FHB gd_12 4068 FCA FCB FCG FCD gd_17 4069 FCB FCG FOG FHG gd_12 4070 FCB FCG FCD FCE gd_17 4071 FCG FCD FOD FHD gd_12 4072 FCG FCD FCE FOZ gd_17 4073 FCD FCE FOZ FPH gd_14 4074 FCE FOZ FPH FOH gd_11 4075 FCE FOZ FPH FOH gd_9 4076 FOZ FPH FOH FHH gd_11 4077 FOZ FPH FOH FHH gd_9 4078 4079[ FMNR ] 4080 [ atoms ] 4081 FC9A C 0.10000 0 4082 FN10 NR -0.20000 0 4083FC10A C 0.10000 0 4084 FN1 NR -0.28000 1 4085 FH1 H 0.28000 1 4086 FC2 C 0.38000 2 4087 FO2 O -0.38000 2 4088 FN3 NR -0.28000 3 4089 FH3 H 0.28000 3 4090 FC4 C 0.38000 4 4091 FO4 O -0.38000 4 4092 FC4A C 0.00000 5 4093 FN5 NR -0.28000 6 4094 FH5 H 0.28000 6 4095 FC5A C 0.00000 7 4096 FC6 CR1 0.00000 8 4097 FC7 C 0.00000 9 4098 FCM7 CH3 0.00000 9 4099 FC8 C 0.00000 10 4100 FCM8 CH3 0.00000 10 4101 FC9 CR1 0.00000 11 4102 FCA CH2 0.00000 12 4103 FCB CH1 0.15000 13 4104 FOB OA -0.54800 13 4105 FHB H 0.39800 13 4106 FCG CH1 0.15000 14 4107 FOG OA -0.54800 14 4108 FHG H 0.39800 14 4109 FCD CH1 0.15000 15 4110 FOD OA -0.54800 15 4111 FHD H 0.39800 15 4112 FCE CH2 0.15000 16 4113 FOZ OA -0.36000 16 4114 FPH P 0.63000 16 4115 FOH OA -0.54800 16 4116 FHH H 0.39800 16 4117 FOT1 OM -0.63500 16 4118 FOT2 OM -0.63500 16 4119 [ bonds ] 4120 FC9A FN10 gb_16 4121 FC9A FC5A gb_15 4122 FC9A FC9 gb_15 4123 FN10 FC10A gb_16 4124 FN10 FCA gb_22 4125FC10A FN1 gb_16 4126FC10A FC4A gb_15 4127 FN1 FH1 gb_2 4128 FN1 FC2 gb_16 4129 FC2 FO2 gb_14 4130 FC2 FN3 gb_16 4131 FN3 FH3 gb_2 4132 FN3 FC4 gb_16 4133 FC4 FO4 gb_4 4134 FC4 FC4A gb_15 4135 FC4A FN5 gb_16 4136 FN5 FH5 gb_2 4137 FN5 FC5A gb_16 4138 FC5A FC6 gb_15 4139 FC6 FC7 gb_15 4140 FC7 FCM7 gb_26 4141 FC7 FC8 gb_15 4142 FC8 FCM8 gb_26 4143 FC8 FC9 gb_15 4144 FCA FCB gb_26 4145 FCB FOB gb_17 4146 FCB FCG gb_26 4147 FOB FHB gb_1 4148 FCG FOG gb_17 4149 FCG FCD gb_26 4150 FOG FHG gb_1 4151 FCD FOD gb_17 4152 FCD FCE gb_26 4153 FOD FHD gb_1 4154 FCE FOZ gb_17 4155 FOZ FPH gb_27 4156 FPH FOH gb_27 4157 FPH FOT1 gb_23 4158 FPH FOT2 gb_23 4159 FOH FHH gb_1 4160 [ exclusions ] 4161; ai aj 4162 FC9A FN1 4163 FC9A FC4A 4164 FC9A FH5 4165 FC9A FC7 4166 FC9A FCM8 4167 FN10 FH1 4168 FN10 FC2 4169 FN10 FC4 4170 FN10 FN5 4171 FN10 FC6 4172 FN10 FC8 4173FC10A FO2 4174FC10A FN3 4175FC10A FO4 4176FC10A FH5 4177FC10A FC5A 4178FC10A FC9 4179 FN1 FH3 4180 FN1 FC4 4181 FN1 FN5 4182 FN1 FCA 4183 FH1 FO2 4184 FH1 FN3 4185 FH1 FC4A 4186 FC2 FO4 4187 FC2 FC4A 4188 FO2 FH3 4189 FO2 FC4 4190 FN3 FN5 4191 FH3 FO4 4192 FH3 FC4A 4193 FC4 FH5 4194 FC4 FC5A 4195 FO4 FN5 4196 FC4A FC6 4197 FC4A FCA 4198 FN5 FC7 4199 FN5 FC9 4200 FH5 FC6 4201 FC5A FCM7 4202 FC5A FC8 4203 FC5A FCA 4204 FC6 FCM8 4205 FC6 FC9 4206 FCM7 FCM8 4207 FCM7 FC9 4208 FC9 FCA 4209 FOZ FHH 4210 FHH FOT1 4211 FHH FOT2 4212 FOT1 +N 4213 [ angles ] 4214; ai aj ak gromos type 4215 FN10 FC9A FC5A ga_26 4216 FN10 FC9A FC9 ga_26 4217 FC5A FC9A FC9 ga_26 4218 FC9A FN10 FC10A ga_26 4219 FC9A FN10 FCA ga_26 4220FC10A FN10 FCA ga_26 4221 FN10 FC10A FN1 ga_26 4222 FN10 FC10A FC4A ga_26 4223 FN1 FC10A FC4A ga_26 4224FC10A FN1 FH1 ga_24 4225FC10A FN1 FC2 ga_26 4226 FH1 FN1 FC2 ga_24 4227 FN1 FC2 FO2 ga_26 4228 FN1 FC2 FN3 ga_26 4229 FO2 FC2 FN3 ga_26 4230 FC2 FN3 FH3 ga_24 4231 FC2 FN3 FC4 ga_26 4232 FH3 FN3 FC4 ga_24 4233 FN3 FC4 FO4 ga_26 4234 FN3 FC4 FC4A ga_26 4235 FO4 FC4 FC4A ga_26 4236FC10A FC4A FC4 ga_26 4237FC10A FC4A FN5 ga_26 4238 FC4 FC4A FN5 ga_26 4239 FC4A FN5 FH5 ga_24 4240 FC4A FN5 FC5A ga_26 4241 FH5 FN5 FC5A ga_24 4242 FC9A FC5A FN5 ga_26 4243 FC9A FC5A FC6 ga_26 4244 FN5 FC5A FC6 ga_26 4245 FC5A FC6 FC7 ga_26 4246 FC6 FC7 FCM7 ga_26 4247 FC6 FC7 FC8 ga_26 4248 FCM7 FC7 FC8 ga_26 4249 FC7 FC8 FCM8 ga_26 4250 FC7 FC8 FC9 ga_26 4251 FCM8 FC8 FC9 ga_26 4252 FC9A FC9 FC8 ga_26 4253 FN10 FCA FCB ga_14 4254 FCA FCB FOB ga_14 4255 FCA FCB FCG ga_14 4256 FOB FCB FCG ga_12 4257 FCB FOB FHB ga_11 4258 FCB FCG FOG ga_12 4259 FCB FCG FCD ga_14 4260 FOG FCG FCD ga_12 4261 FCG FOG FHG ga_11 4262 FCG FCD FOD ga_12 4263 FCG FCD FCE ga_14 4264 FOD FCD FCE ga_14 4265 FCD FOD FHD ga_11 4266 FCD FCE FOZ ga_14 4267 FCE FOZ FPH ga_25 4268 FOZ FPH FOH ga_4 4269 FOZ FPH FOT1 ga_13 4270 FOZ FPH FOT2 ga_13 4271 FOH FPH FOT1 ga_13 4272 FOH FPH FOT2 ga_13 4273 FOT1 FPH FOT2 ga_28 4274 FPH FOH FHH ga_11 4275 [ impropers ] 4276; ai aj ak al gromos type 4277 FN1 FC10A FC2 FH1 gi_1 4278 FC2 FN1 FN3 FO2 gi_1 4279 FN3 FC2 FC4 FH3 gi_1 4280 FC4 FN3 FC4A FO4 gi_1 4281 FN1 FC2 FN3 FC4 gi_1 4282 FC2 FN3 FC4 FC4A gi_1 4283 FN3 FC4 FC4A FC10A gi_1 4284 FC4 FC4A FC10A FN1 gi_1 4285 FC4A FC10A FN1 FC2 gi_1 4286FC10A FN1 FC2 FN3 gi_1 4287 FC4A FC4 FN5 FC10A gi_1 4288FC10A FN1 FN10 FC4A gi_1 4289 FN10 FC10A FC4A FN5 gi_1 4290 FN10 FC9A FC5A FN5 gi_1 4291 FC5A FN5 FC6 FC9A gi_1 4292 FC9A FN10 FC9 FC5A gi_1 4293 FC5A FC6 FC7 FC8 gi_1 4294 FC6 FC7 FC8 FC9 gi_1 4295 FC7 FC8 FC9 FC9A gi_1 4296 FC8 FC9 FC9A FC5A gi_1 4297 FC9 FC9A FC5A FC6 gi_1 4298 FC9A FC5A FC6 FC7 gi_1 4299 FC7 FC6 FC8 FCM7 gi_1 4300 FC8 FC7 FC9 FCM8 gi_1 4301 FCB FOB FCG FCA gi_2 4302 FCG FOG FCD FCB gi_2 4303 FCD FOD FCE FCG gi_2 4304 [ dihedrals ] 4305; ai aj ak al gromos type 4306FC10A FC4A FN5 FC5A gd_4 4307 FC4A FN5 FC5A FC9A gd_4 4308 FC5A FC9A FN10 FC10A gd_4 4309 FC9A FN10 FC10A FC4A gd_4 4310 FC9A FN10 FCA FCB gd_20 4311 FN10 FCA FCB FCG gd_17 4312 FCA FCB FOB FHB gd_12 4313 FCA FCB FCG FCD gd_17 4314 FCB FCG FOG FHG gd_12 4315 FCB FCG FCD FCE gd_17 4316 FCG FCD FOD FHD gd_12 4317 FCG FCD FCE FOZ gd_17 4318 FCD FCE FOZ FPH gd_14 4319 FCE FOZ FPH FOH gd_11 4320 FCE FOZ FPH FOH gd_9 4321 FOZ FPH FOH FHH gd_11 4322 FOZ FPH FOH FHH gd_9 4323 4324[ PFN ] 4325 [ atoms ] 4326 FC9A C 0.00000 0 4327 FC10 CR1 0.00000 0 4328FC10A C 0.00000 0 4329 FC1 CR1 0.00000 1 4330 FC2 CR1 0.00000 1 4331 FC3 C 0.00000 2 4332 FN3 NT -0.83000 3 4333 FH31 H 0.41500 3 4334 FH32 H 0.41500 3 4335 FC4 CR1 0.00000 4 4336 FC4A C 0.15000 5 4337 FN5 NR 0.28500 5 4338 FH5 H 0.41500 5 4339 FC5A C 0.15000 5 4340 FC6 CR1 0.00000 6 4341 FC7 C 0.00000 7 4342 FN7 NT -0.83000 8 4343 FH71 H 0.41500 8 4344 FH72 H 0.41500 8 4345 FC8 CR1 0.00000 9 4346 FC9 CR1 0.00000 9 4347 [ bonds ] 4348 FC9A FC10 gb_15 4349 FC9A FC5A gb_15 4350 FC9A FC9 gb_15 4351 FC10 FC10A gb_15 4352FC10A FC1 gb_15 4353FC10A FC4A gb_15 4354 FC1 FC2 gb_15 4355 FC2 FC3 gb_15 4356 FC3 FN3 gb_8 4357 FC3 FC4 gb_15 4358 FN3 FH31 gb_2 4359 FN3 FH32 gb_2 4360 FC4 FC4A gb_15 4361 FC4A FN5 gb_16 4362 FN5 FH5 gb_2 4363 FN5 FC5A gb_16 4364 FC5A FC6 gb_15 4365 FC6 FC7 gb_15 4366 FC7 FN7 gb_8 4367 FC7 FC8 gb_15 4368 FN7 FH71 gb_2 4369 FN7 FH72 gb_2 4370 FC8 FC9 gb_15 4371 [ exclusions ] 4372; ai aj 4373 FC9A FC1 4374 FC9A FC4A 4375 FC9A FH5 4376 FC9A FC7 4377 FC10 FC2 4378 FC10 FC4 4379 FC10 FN5 4380 FC10 FC6 4381 FC10 FC8 4382FC10A FC3 4383FC10A FH5 4384FC10A FC5A 4385FC10A FC9 4386 FC1 FN3 4387 FC1 FC4 4388 FC1 FN5 4389 FC2 FC4A 4390 FC3 FN5 4391 FN3 FC4A 4392 FC4 FH5 4393 FC4 FC5A 4394 FC4A FC6 4395 FN5 FC7 4396 FN5 FC9 4397 FH5 FC6 4398 FC5A FN7 4399 FC5A FC8 4400 FC6 FC9 4401 FN7 FC9 4402 [ angles ] 4403; ai aj ak gromos type 4404 FC10 FC9A FC5A ga_26 4405 FC10 FC9A FC9 ga_26 4406 FC5A FC9A FC9 ga_26 4407 FC9A FC10 FC10A ga_26 4408 FC10 FC10A FC1 ga_26 4409 FC10 FC10A FC4A ga_26 4410 FC1 FC10A FC4A ga_26 4411FC10A FC1 FC2 ga_26 4412 FC1 FC2 FC3 ga_26 4413 FC2 FC3 FN3 ga_26 4414 FC2 FC3 FC4 ga_26 4415 FN3 FC3 FC4 ga_26 4416 FC3 FN3 FH31 ga_22 4417 FC3 FN3 FH32 ga_22 4418 FH31 FN3 FH32 ga_23 4419 FC3 FC4 FC4A ga_26 4420FC10A FC4A FC4 ga_26 4421FC10A FC4A FN5 ga_26 4422 FC4 FC4A FN5 ga_26 4423 FC4A FN5 FH5 ga_24 4424 FC4A FN5 FC5A ga_26 4425 FH5 FN5 FC5A ga_24 4426 FC9A FC5A FN5 ga_26 4427 FC9A FC5A FC6 ga_26 4428 FN5 FC5A FC6 ga_26 4429 FC5A FC6 FC7 ga_26 4430 FC6 FC7 FN7 ga_26 4431 FC6 FC7 FC8 ga_26 4432 FN7 FC7 FC8 ga_26 4433 FC7 FN7 FH71 ga_22 4434 FC7 FN7 FH72 ga_22 4435 FH71 FN7 FH72 ga_23 4436 FC7 FC8 FC9 ga_26 4437 FC8 FC9 FC9A ga_26 4438 [ impropers ] 4439; ai aj ak al gromos type 4440 FC9A FC10 FC10A FC4A gi_1 4441 FC10 FC10A FC4A FN5 gi_1 4442FC10A FC4A FN5 FC5A gi_1 4443 FC4A FN5 FC5A FC9A gi_1 4444 FN5 FC5A FC9A FC10 gi_1 4445 FC5A FC9A FC10 FC10A gi_1 4446 FN5 FC4A FC5A FH5 gi_1 4447FC10A FC1 FC10 FC4A gi_1 4448 FC4A FC4 FN5 FC10A gi_1 4449 FC4A FC10A FC1 FC2 gi_1 4450FC10A FC1 FC2 FC3 gi_1 4451 FC1 FC2 FC3 FC4 gi_1 4452 FC2 FC3 FC4 FC4A gi_1 4453 FC3 FC4 FC4A FC10A gi_1 4454 FC4 FC4A FC10A FC1 gi_1 4455 FC3 FC2 FC4 FN3 gi_1 4456 FN3 FH31 FH32 FC3 gi_1 4457 FC5A FN5 FC6 FC9A gi_1 4458 FC9A FC10 FC9 FC5A gi_1 4459 FC5A FC6 FC7 FC8 gi_1 4460 FC6 FC7 FC8 FC9 gi_1 4461 FC7 FC8 FC9 FC9A gi_1 4462 FC8 FC9 FC9A FC5A gi_1 4463 FC9 FC9A FC5A FC6 gi_1 4464 FC9A FC5A FC6 FC7 gi_1 4465 FC7 FC8 FC6 FN7 gi_1 4466 FN7 FH71 FH72 FC7 gi_1 4467 [ dihedrals ] 4468; ai aj ak al gromos type 4469 FC2 FC3 FN3 FH31 gd_4 4470 FC8 FC7 FN7 FH71 gd_4 4471 4472[ NADP ] 4473 [ atoms ] 4474 AP P 0.76000 0 4475 AO1P OM -0.63500 0 4476 AO2P OM -0.63500 0 4477 AO5* OA -0.36000 0 4478 O3P OA -0.26000 1 4479 NP P 0.76000 1 4480 NO1P OM -0.63500 1 4481 NO2P OM -0.63500 1 4482 NO5* OA -0.36000 1 4483 AC5* CH2 0.00000 2 4484 AC4* CH1 0.16000 3 4485 AO4* OA -0.36000 3 4486 AC1* CH1 0.20000 3 4487 AN9 NR -0.20000 4 4488 AC4 C 0.20000 4 4489 AN3 NR -0.36000 5 4490 AC2 CR1 0.36000 5 4491 AN1 NR -0.36000 6 4492 AC6 C 0.36000 6 4493 AN6 NT -0.83000 7 4494 AH61 H 0.41500 7 4495 AH62 H 0.41500 7 4496 AC5 C 0.00000 8 4497 AN7 NR -0.36000 8 4498 AC8 CR1 0.36000 8 4499 AC2* CH1 0.15000 9 4500 AO2* OA -0.54800 9 4501 AH2* H 0.39800 9 4502 AC3* CH1 0.15000 10 4503 AO3* OA -0.54800 10 4504 AH3* H 0.39800 10 4505 NC5* CH2 0.00000 11 4506 NC4* CH1 0.16000 12 4507 NO4* OA -0.36000 12 4508 NC1* CH1 0.20000 12 4509 NN1 NR 0.10000 13 4510 NC6 CR1 0.30000 13 4511 NC2 CR1 0.25000 13 4512 NC3 C 0.00000 13 4513 NC4 CR1 0.25000 13 4514 NC5 CR1 0.10000 13 4515 NC7 C 0.38000 14 4516 NO7 O -0.38000 14 4517 NN7 NT -0.83000 15 4518 NH71 H 0.41500 15 4519 NH72 H 0.41500 15 4520 NC2* CH1 0.15000 16 4521 NO2* OA -0.54800 16 4522 NH2* H 0.39800 16 4523 NC3* CH1 0.15000 17 4524 NO3* OA -0.54800 17 4525 NH3* H 0.39800 17 4526 [ bonds ] 4527 AP AO1P gb_23 4528 AP AO2P gb_23 4529 AP AO5* gb_27 4530 AP O3P gb_27 4531 AO5* AC5* gb_19 4532 O3P NP gb_27 4533 NP NO1P gb_23 4534 NP NO2P gb_23 4535 NP NO5* gb_27 4536 NO5* NC5* gb_19 4537 AC5* AC4* gb_25 4538 AC4* AO4* gb_19 4539 AC4* AC3* gb_25 4540 AO4* AC1* gb_19 4541 AC1* AN9 gb_21 4542 AC1* AC2* gb_25 4543 AN9 AC4 gb_9 4544 AN9 AC8 gb_9 4545 AC4 AN3 gb_11 4546 AC4 AC5 gb_15 4547 AN3 AC2 gb_6 4548 AC2 AN1 gb_6 4549 AN1 AC6 gb_11 4550 AC6 AN6 gb_8 4551 AC6 AC5 gb_15 4552 AN6 AH61 gb_2 4553 AN6 AH62 gb_2 4554 AC5 AN7 gb_9 4555 AN7 AC8 gb_9 4556 AC2* AO2* gb_19 4557 AC2* AC3* gb_25 4558 AO2* AH2* gb_1 4559 AC3* AO3* gb_19 4560 AO3* AH3* gb_1 4561 NC5* NC4* gb_25 4562 NC4* NO4* gb_19 4563 NC4* NC3* gb_25 4564 NO4* NC1* gb_19 4565 NC1* NN1 gb_22 4566 NC1* NC2* gb_25 4567 NN1 NC6 gb_16 4568 NN1 NC2 gb_16 4569 NC6 NC5 gb_15 4570 NC2 NC3 gb_15 4571 NC3 NC4 gb_15 4572 NC3 NC7 gb_26 4573 NC4 NC5 gb_15 4574 NC7 NO7 gb_4 4575 NC7 NN7 gb_8 4576 NN7 NH71 gb_2 4577 NN7 NH72 gb_2 4578 NC2* NO2* gb_19 4579 NC2* NC3* gb_25 4580 NO2* NH2* gb_1 4581 NC3* NO3* gb_19 4582 NO3* NH3* gb_1 4583 [ exclusions ] 4584; ai aj 4585 AC1* AN3 4586 AC1* AC5 4587 AC1* AN7 4588 AN9 AC2 4589 AN9 AC6 4590 AC4 AN1 4591 AC4 AN6 4592 AN3 AC6 4593 AN3 AN7 4594 AN3 AC8 4595 AC2 AN6 4596 AC2 AC5 4597 AN1 AN7 4598 AC6 AC8 4599 AN6 AN7 4600 NC1* NC3 4601 NC1* NC5 4602 NN1 NC4 4603 NN1 NC7 4604 NC6 NC3 4605 NC2 NC5 4606 NC5 NC7 4607 [ angles ] 4608; ai aj ak gromos type 4609 AO1P AP AO2P ga_28 4610 AO1P AP AO5* ga_13 4611 AO1P AP O3P ga_13 4612 AO2P AP AO5* ga_13 4613 AO2P AP O3P ga_13 4614 AO5* AP O3P ga_4 4615 AP AO5* AC5* ga_25 4616 AP O3P NP ga_25 4617 O3P NP NO1P ga_13 4618 O3P NP NO2P ga_13 4619 O3P NP NO5* ga_4 4620 NO1P NP NO2P ga_28 4621 NO1P NP NO5* ga_13 4622 NO2P NP NO5* ga_13 4623 NP NO5* NC5* ga_25 4624 AO5* AC5* AC4* ga_8 4625 AC5* AC4* AO4* ga_8 4626 AC5* AC4* AC3* ga_7 4627 AO4* AC4* AC3* ga_8 4628 AC4* AO4* AC1* ga_9 4629 AO4* AC1* AN9 ga_8 4630 AO4* AC1* AC2* ga_8 4631 AN9 AC1* AC2* ga_8 4632 AC1* AN9 AC4 ga_36 4633 AC1* AN9 AC8 ga_36 4634 AC4 AN9 AC8 ga_6 4635 AN9 AC4 AN3 ga_38 4636 AN9 AC4 AC5 ga_6 4637 AN3 AC4 AC5 ga_26 4638 AC4 AN3 AC2 ga_26 4639 AN3 AC2 AN1 ga_26 4640 AC2 AN1 AC6 ga_26 4641 AN1 AC6 AN6 ga_26 4642 AN1 AC6 AC5 ga_26 4643 AN6 AC6 AC5 ga_26 4644 AC6 AN6 AH61 ga_22 4645 AC6 AN6 AH62 ga_22 4646 AH61 AN6 AH62 ga_23 4647 AC4 AC5 AC6 ga_26 4648 AC4 AC5 AN7 ga_6 4649 AC6 AC5 AN7 ga_38 4650 AC5 AN7 AC8 ga_6 4651 AN9 AC8 AN7 ga_6 4652 AC1* AC2* AO2* ga_8 4653 AC1* AC2* AC3* ga_7 4654 AO2* AC2* AC3* ga_8 4655 AC2* AO2* AH2* ga_11 4656 AC4* AC3* AC2* ga_7 4657 AC4* AC3* AO3* ga_8 4658 AC2* AC3* AO3* ga_8 4659 AC3* AO3* AH3* ga_11 4660 NO5* NC5* NC4* ga_8 4661 NC5* NC4* NO4* ga_8 4662 NC5* NC4* NC3* ga_7 4663 NO4* NC4* NC3* ga_8 4664 NC4* NO4* NC1* ga_9 4665 NO4* NC1* NN1 ga_8 4666 NO4* NC1* NC2* ga_8 4667 NN1 NC1* NC2* ga_7 4668 NC1* NN1 NC6 ga_26 4669 NC1* NN1 NC2 ga_26 4670 NC6 NN1 NC2 ga_26 4671 NN1 NC6 NC5 ga_26 4672 NN1 NC2 NC3 ga_26 4673 NC2 NC3 NC4 ga_26 4674 NC2 NC3 NC7 ga_26 4675 NC4 NC3 NC7 ga_26 4676 NC3 NC4 NC5 ga_26 4677 NC6 NC5 NC4 ga_26 4678 NC3 NC7 NO7 ga_29 4679 NC3 NC7 NN7 ga_18 4680 NO7 NC7 NN7 ga_32 4681 NC7 NN7 NH71 ga_22 4682 NC7 NN7 NH72 ga_22 4683 NH71 NN7 NH72 ga_23 4684 NC1* NC2* NO2* ga_8 4685 NC1* NC2* NC3* ga_7 4686 NO2* NC2* NC3* ga_8 4687 NC2* NO2* NH2* ga_11 4688 NC4* NC3* NC2* ga_7 4689 NC4* NC3* NO3* ga_8 4690 NC2* NC3* NO3* ga_8 4691 NC3* NO3* NH3* ga_11 4692 [ impropers ] 4693; ai aj ak al gromos type 4694 AC4* AO4* AC5* AC3* gi_2 4695 AC3* AC2* AO3* AC4* gi_2 4696 AC2* AO2* AC3* AC1* gi_2 4697 AC1* AN9 AO4* AC2* gi_2 4698 AN9 AC8 AC4 AC1* gi_1 4699 AC4 AN9 AC8 AN7 gi_1 4700 AC8 AN9 AC4 AC5 gi_1 4701 AN9 AC8 AN7 AC5 gi_1 4702 AN9 AC4 AC5 AN7 gi_1 4703 AC8 AN7 AC5 AC4 gi_1 4704 AC4 AN9 AN3 AC5 gi_1 4705 AC5 AC6 AN7 AC4 gi_1 4706 AN3 AC4 AC5 AC6 gi_1 4707 AC4 AC5 AC6 AN1 gi_1 4708 AC5 AC4 AN3 AC2 gi_1 4709 AC5 AC6 AN1 AC2 gi_1 4710 AC4 AN3 AC2 AN1 gi_1 4711 AN3 AC2 AN1 AC6 gi_1 4712 AC6 AC5 AN1 AN6 gi_1 4713 AN6 AH61 AH62 AC6 gi_1 4714 NC4* NO4* NC5* NC3* gi_2 4715 NC3* NC2* NO3* NC4* gi_2 4716 NC2* NO2* NC3* NC1* gi_2 4717 NC1* NN1 NO4* NC2* gi_2 4718 NN1 NC6 NC2 NC1* gi_1 4719 NC2 NN1 NC6 NC5 gi_1 4720 NC6 NN1 NC2 NC3 gi_1 4721 NN1 NC6 NC5 NC4 gi_1 4722 NN1 NC2 NC3 NC4 gi_1 4723 NC6 NC5 NC4 NC3 gi_1 4724 NC2 NC3 NC4 NC5 gi_1 4725 NC3 NC4 NC2 NC7 gi_1 4726 NC7 NO7 NN7 NC3 gi_1 4727 NN7 NH71 NH72 NC7 gi_1 4728 [ dihedrals ] 4729; ai aj ak al gromos type 4730 AO5* AP O3P NP gd_11 4731 AO5* AP O3P NP gd_9 4732 O3P AP AO5* AC5* gd_11 4733 O3P AP AO5* AC5* gd_9 4734 AP AO5* AC5* AC4* gd_14 4735 AO5* AC5* AC4* AC3* gd_17 4736 AO5* AC5* AC4* AC3* gd_7 4737 AO5* AC5* AC4* AO4* gd_8 4738 AC5* AC4* AC3* AC2* gd_17 4739 AC5* AC4* AC3* AO3* gd_7 4740 AO4* AC4* AC3* AC2* gd_7 4741 AO4* AC4* AC3* AO3* gd_8 4742 AC4* AC3* AC2* AC1* gd_17 4743 AO3* AC3* AC2* AC1* gd_7 4744 AC4* AC3* AC2* AO2* gd_7 4745 AO3* AC3* AC2* AO2* gd_8 4746 AC3* AC2* AC1* AO4* gd_17 4747 AC3* AC2* AC1* AO4* gd_7 4748 AO2* AC2* AC1* AN9 gd_7 4749 AO2* AC2* AC1* AO4* gd_8 4750 AC3* AC4* AO4* AC1* gd_14 4751 AC4* AO4* AC1* AC2* gd_14 4752 AC1* AC2* AO2* AH2* gd_12 4753 AC4* AC3* AO3* AH3* gd_12 4754 AO4* AC1* AN9 AC4 gd_6 4755 AC5 AC6 AN6 AH61 gd_4 4756 AP O3P NP NO5* gd_11 4757 AP O3P NP NO5* gd_9 4758 O3P NP NO5* NC5* gd_11 4759 O3P NP NO5* NC5* gd_9 4760 NP NO5* NC5* NC4* gd_14 4761 NO5* NC5* NC4* NC3* gd_17 4762 NO5* NC5* NC4* NC3* gd_7 4763 NO5* NC5* NC4* NO4* gd_8 4764 NC5* NC4* NC3* NC2* gd_17 4765 NC5* NC4* NC3* NO3* gd_7 4766 NO4* NC4* NC3* NC2* gd_7 4767 NO4* NC4* NC3* NO3* gd_8 4768 NC4* NC3* NC2* NC1* gd_17 4769 NO3* NC3* NC2* NC1* gd_7 4770 NC4* NC3* NC2* NO2* gd_7 4771 NO3* NC3* NC2* NO2* gd_8 4772 NC3* NC2* NC1* NO4* gd_17 4773 NC3* NC2* NC1* NO4* gd_7 4774 NO2* NC2* NC1* NN1 gd_7 4775 NO2* NC2* NC1* NO4* gd_8 4776 NC3* NC4* NO4* NC1* gd_14 4777 NC4* NO4* NC1* NC2* gd_14 4778 NC1* NC2* NO2* NH2* gd_12 4779 NC4* NC3* NO3* NH3* gd_12 4780 NO4* NC1* NN1 NC2 gd_6 4781 NC2 NC3 NC7 NN7 gd_1 4782 NC3 NC7 NN7 NH71 gd_4 4783 4784[ NADH ] 4785 [ atoms ] 4786 AP P 0.76000 0 4787 AO1P OM -0.63500 0 4788 AO2P OM -0.63500 0 4789 AO5* OA -0.36000 0 4790 O3P OA -0.26000 1 4791 NP P 0.76000 1 4792 NO1P OM -0.63500 1 4793 NO2P OM -0.63500 1 4794 NO5* OA -0.36000 1 4795 AC5* CH2 0.00000 2 4796 AC4* CH1 0.16000 3 4797 AO4* OA -0.36000 3 4798 AC1* CH1 0.20000 3 4799 AN9 NR -0.20000 4 4800 AC4 C 0.20000 4 4801 AN3 NR -0.36000 5 4802 AC2 CR1 0.36000 5 4803 AN1 NR -0.36000 6 4804 AC6 C 0.36000 6 4805 AN6 NT -0.83000 7 4806 AH61 H 0.41500 7 4807 AH62 H 0.41500 7 4808 AC5 C 0.00000 8 4809 AN7 NR -0.36000 8 4810 AC8 CR1 0.36000 8 4811 AC2* CH1 0.15000 9 4812 AO2* OA -0.54800 9 4813 AH2* H 0.39800 9 4814 AC3* CH1 0.15000 10 4815 AO3* OA -0.54800 10 4816 AH3* H 0.39800 10 4817 NC5* CH2 0.00000 11 4818 NC4* CH1 0.16000 12 4819 NO4* OA -0.36000 12 4820 NC1* CH1 0.20000 12 4821 NN1 NR -0.20000 13 4822 NC6 CR1 0.20000 13 4823 NC2 CR1 0.00000 13 4824 NC3 C 0.00000 13 4825 NC4 CH2 0.00000 13 4826 NC5 CR1 0.00000 13 4827 NC7 C 0.38000 14 4828 NO7 O -0.38000 14 4829 NN7 NT -0.83000 15 4830 NH71 H 0.41500 15 4831 NH72 H 0.41500 15 4832 NC2* CH1 0.15000 16 4833 NO2* OA -0.54800 16 4834 NH2* H 0.39800 16 4835 NC3* CH1 0.15000 17 4836 NO3* OA -0.54800 17 4837 NH3* H 0.39800 17 4838 [ bonds ] 4839 AP AO1P gb_23 4840 AP AO2P gb_23 4841 AP AO5* gb_27 4842 AP O3P gb_27 4843 AO5* AC5* gb_19 4844 O3P NP gb_27 4845 NP NO1P gb_23 4846 NP NO2P gb_23 4847 NP NO5* gb_27 4848 NO5* NC5* gb_19 4849 AC5* AC4* gb_25 4850 AC4* AO4* gb_19 4851 AC4* AC3* gb_25 4852 AO4* AC1* gb_19 4853 AC1* AN9 gb_21 4854 AC1* AC2* gb_25 4855 AN9 AC4 gb_9 4856 AN9 AC8 gb_9 4857 AC4 AN3 gb_11 4858 AC4 AC5 gb_15 4859 AN3 AC2 gb_6 4860 AC2 AN1 gb_6 4861 AN1 AC6 gb_11 4862 AC6 AN6 gb_8 4863 AC6 AC5 gb_15 4864 AN6 AH61 gb_2 4865 AN6 AH62 gb_2 4866 AC5 AN7 gb_9 4867 AN7 AC8 gb_9 4868 AC2* AO2* gb_19 4869 AC2* AC3* gb_25 4870 AO2* AH2* gb_1 4871 AC3* AO3* gb_19 4872 AO3* AH3* gb_1 4873 NC5* NC4* gb_25 4874 NC4* NO4* gb_19 4875 NC4* NC3* gb_25 4876 NO4* NC1* gb_19 4877 NC1* NN1 gb_22 4878 NC1* NC2* gb_25 4879 NN1 NC6 gb_16 4880 NN1 NC2 gb_16 4881 NC6 NC5 gb_15 4882 NC2 NC3 gb_15 4883 NC3 NC4 gb_14 4884 NC3 NC7 gb_26 4885 NC4 NC5 gb_14 4886 NC7 NO7 gb_4 4887 NC7 NN7 gb_8 4888 NN7 NH71 gb_2 4889 NN7 NH72 gb_2 4890 NC2* NO2* gb_19 4891 NC2* NC3* gb_25 4892 NO2* NH2* gb_1 4893 NC3* NO3* gb_19 4894 NO3* NH3* gb_1 4895 [ exclusions ] 4896; ai aj 4897 AC1* AN3 4898 AC1* AC5 4899 AC1* AN7 4900 AN9 AC2 4901 AN9 AC6 4902 AC4 AN1 4903 AC4 AN6 4904 AN3 AC6 4905 AN3 AN7 4906 AN3 AC8 4907 AC2 AN6 4908 AC2 AC5 4909 AN1 AN7 4910 AC6 AC8 4911 AN6 AN7 4912 NC1* NC3 4913 NC1* NC5 4914 NN1 NC4 4915 NN1 NC7 4916 NC6 NC3 4917 NC2 NC5 4918 NC5 NC7 4919 [ angles ] 4920; ai aj ak gromos type 4921 AO1P AP AO2P ga_28 4922 AO1P AP AO5* ga_13 4923 AO1P AP O3P ga_13 4924 AO2P AP AO5* ga_13 4925 AO2P AP O3P ga_13 4926 AO5* AP O3P ga_4 4927 AP AO5* AC5* ga_25 4928 AP O3P NP ga_25 4929 O3P NP NO1P ga_13 4930 O3P NP NO2P ga_13 4931 O3P NP NO5* ga_4 4932 NO1P NP NO2P ga_28 4933 NO1P NP NO5* ga_13 4934 NO2P NP NO5* ga_13 4935 NP NO5* NC5* ga_25 4936 AO5* AC5* AC4* ga_8 4937 AC5* AC4* AO4* ga_8 4938 AC5* AC4* AC3* ga_7 4939 AO4* AC4* AC3* ga_8 4940 AC4* AO4* AC1* ga_9 4941 AO4* AC1* AN9 ga_8 4942 AO4* AC1* AC2* ga_8 4943 AN9 AC1* AC2* ga_8 4944 AC1* AN9 AC4 ga_36 4945 AC1* AN9 AC8 ga_36 4946 AC4 AN9 AC8 ga_6 4947 AN9 AC4 AN3 ga_38 4948 AN9 AC4 AC5 ga_6 4949 AN3 AC4 AC5 ga_26 4950 AC4 AN3 AC2 ga_26 4951 AN3 AC2 AN1 ga_26 4952 AC2 AN1 AC6 ga_26 4953 AN1 AC6 AN6 ga_26 4954 AN1 AC6 AC5 ga_26 4955 AN6 AC6 AC5 ga_26 4956 AC6 AN6 AH61 ga_22 4957 AC6 AN6 AH62 ga_22 4958 AH61 AN6 AH62 ga_23 4959 AC4 AC5 AC6 ga_26 4960 AC4 AC5 AN7 ga_6 4961 AC6 AC5 AN7 ga_38 4962 AC5 AN7 AC8 ga_6 4963 AN9 AC8 AN7 ga_6 4964 AC1* AC2* AO2* ga_8 4965 AC1* AC2* AC3* ga_7 4966 AO2* AC2* AC3* ga_8 4967 AC2* AO2* AH2* ga_11 4968 AC4* AC3* AC2* ga_7 4969 AC4* AC3* AO3* ga_8 4970 AC2* AC3* AO3* ga_8 4971 AC3* AO3* AH3* ga_11 4972 NO5* NC5* NC4* ga_8 4973 NC5* NC4* NO4* ga_8 4974 NC5* NC4* NC3* ga_7 4975 NO4* NC4* NC3* ga_8 4976 NC4* NO4* NC1* ga_9 4977 NO4* NC1* NN1 ga_8 4978 NO4* NC1* NC2* ga_8 4979 NN1 NC1* NC2* ga_7 4980 NC1* NN1 NC6 ga_26 4981 NC1* NN1 NC2 ga_26 4982 NC6 NN1 NC2 ga_26 4983 NN1 NC6 NC5 ga_26 4984 NN1 NC2 NC3 ga_26 4985 NC2 NC3 NC4 ga_26 4986 NC2 NC3 NC7 ga_26 4987 NC4 NC3 NC7 ga_26 4988 NC3 NC4 NC5 ga_26 4989 NC6 NC5 NC4 ga_26 4990 NC3 NC7 NO7 ga_29 4991 NC3 NC7 NN7 ga_18 4992 NO7 NC7 NN7 ga_32 4993 NC7 NN7 NH71 ga_22 4994 NC7 NN7 NH72 ga_22 4995 NH71 NN7 NH72 ga_23 4996 NC1* NC2* NO2* ga_8 4997 NC1* NC2* NC3* ga_7 4998 NO2* NC2* NC3* ga_8 4999 NC2* NO2* NH2* ga_11 5000 NC4* NC3* NC2* ga_7 5001 NC4* NC3* NO3* ga_8 5002 NC2* NC3* NO3* ga_8 5003 NC3* NO3* NH3* ga_11 5004 [ impropers ] 5005; ai aj ak al gromos type 5006 AC4* AO4* AC5* AC3* gi_2 5007 AC3* AC2* AO3* AC4* gi_2 5008 AC2* AO2* AC3* AC1* gi_2 5009 AC1* AN9 AO4* AC2* gi_2 5010 AN9 AC8 AC4 AC1* gi_1 5011 AC4 AN9 AC8 AN7 gi_1 5012 AC8 AN9 AC4 AC5 gi_1 5013 AN9 AC8 AN7 AC5 gi_1 5014 AN9 AC4 AC5 AN7 gi_1 5015 AC8 AN7 AC5 AC4 gi_1 5016 AC4 AN9 AN3 AC5 gi_1 5017 AC5 AC6 AN7 AC4 gi_1 5018 AN3 AC4 AC5 AC6 gi_1 5019 AC4 AC5 AC6 AN1 gi_1 5020 AC5 AC4 AN3 AC2 gi_1 5021 AC5 AC6 AN1 AC2 gi_1 5022 AC4 AN3 AC2 AN1 gi_1 5023 AN3 AC2 AN1 AC6 gi_1 5024 AC6 AC5 AN1 AN6 gi_1 5025 AN6 AH61 AH62 AC6 gi_1 5026 NC4* NO4* NC5* NC3* gi_1 5027 NC3* NC2* NO3* NC4* gi_1 5028 NC2* NO2* NC3* NC1* gi_1 5029 NC1* NN1 NO4* NC2* gi_1 5030 NN1 NC6 NC2 NC1* gi_1 5031 NC2 NN1 NC6 NC5 gi_1 5032 NC6 NN1 NC2 NC3 gi_1 5033 NN1 NC6 NC5 NC4 gi_1 5034 NN1 NC2 NC3 NC4 gi_1 5035 NC6 NC5 NC4 NC3 gi_1 5036 NC2 NC3 NC4 NC5 gi_1 5037 NC3 NC4 NC2 NC7 gi_1 5038 NC7 NO7 NN7 NC3 gi_1 5039 NN7 NH71 NH72 NC7 gi_1 5040 [ dihedrals ] 5041; ai aj ak al gromos type 5042 AO5* AP O3P NP gd_11 5043 AO5* AP O3P NP gd_9 5044 O3P AP AO5* AC5* gd_11 5045 O3P AP AO5* AC5* gd_9 5046 AP AO5* AC5* AC4* gd_14 5047 AO5* AC5* AC4* AC3* gd_17 5048 AO5* AC5* AC4* AC3* gd_7 5049 AO5* AC5* AC4* AO4* gd_8 5050 AC5* AC4* AC3* AC2* gd_17 5051 AC5* AC4* AC3* AO3* gd_7 5052 AO4* AC4* AC3* AC2* gd_7 5053 AO4* AC4* AC3* AO3* gd_8 5054 AC4* AC3* AC2* AC1* gd_17 5055 AO3* AC3* AC2* AC1* gd_7 5056 AC4* AC3* AC2* AO2* gd_7 5057 AO3* AC3* AC2* AO2* gd_8 5058 AC3* AC2* AC1* AO4* gd_17 5059 AC3* AC2* AC1* AO4* gd_7 5060 AO2* AC2* AC1* AN9 gd_7 5061 AO2* AC2* AC1* AO4* gd_8 5062 AC3* AC4* AO4* AC1* gd_14 5063 AC4* AO4* AC1* AC2* gd_14 5064 AC1* AC2* AO2* AH2* gd_12 5065 AC4* AC3* AO3* AH3* gd_12 5066 AO4* AC1* AN9 AC4 gd_6 5067 AC5 AC6 AN6 AH61 gd_4 5068 AP O3P NP NO5* gd_11 5069 AP O3P NP NO5* gd_9 5070 O3P NP NO5* NC5* gd_11 5071 O3P NP NO5* NC5* gd_9 5072 NP NO5* NC5* NC4* gd_14 5073 NO5* NC5* NC4* NC3* gd_17 5074 NO5* NC5* NC4* NC3* gd_7 5075 NO5* NC5* NC4* NO4* gd_8 5076 NC5* NC4* NC3* NC2* gd_17 5077 NC5* NC4* NC3* NO3* gd_7 5078 NO4* NC4* NC3* NC2* gd_7 5079 NO4* NC4* NC3* NO3* gd_8 5080 NC4* NC3* NC2* NC1* gd_17 5081 NO3* NC3* NC2* NC1* gd_7 5082 NC4* NC3* NC2* NO2* gd_7 5083 NO3* NC3* NC2* NO2* gd_8 5084 NC3* NC2* NC1* NO4* gd_17 5085 NC3* NC2* NC1* NO4* gd_7 5086 NO2* NC2* NC1* NN1 gd_7 5087 NO2* NC2* NC1* NO4* gd_8 5088 NC3* NC4* NO4* NC1* gd_14 5089 NC4* NO4* NC1* NC2* gd_14 5090 NC1* NC2* NO2* NH2* gd_12 5091 NC4* NC3* NO3* NH3* gd_12 5092 NO4* NC1* NN1 NC2 gd_6 5093 NC2 NC3 NC7 NN7 gd_1 5094 NC3 NC7 NN7 NH71 gd_4 5095 5096[ NDPH ] 5097 [ atoms ] 5098 AP P 0.76000 0 5099 AO1P OM -0.63500 0 5100 AO2P OM -0.63500 0 5101 AO5* OA -0.36000 0 5102 O3P OA -0.26000 1 5103 NP P 0.76000 1 5104 NO1P OM -0.63500 1 5105 NO2P OM -0.63500 1 5106 NO5* OA -0.36000 1 5107 AC5* CH2 0.00000 2 5108 AC4* CH1 0.16000 3 5109 AO4* OA -0.36000 3 5110 AC1* CH1 0.20000 3 5111 AN9 NR -0.20000 4 5112 AC4 C 0.20000 4 5113 AN3 NR -0.36000 5 5114 AC2 CR1 0.36000 5 5115 AN1 NR -0.36000 6 5116 AC6 C 0.36000 6 5117 AN6 NT -0.83000 7 5118 AH61 H 0.41500 7 5119 AH62 H 0.41500 7 5120 AC5 C 0.00000 8 5121 AN7 NR -0.36000 8 5122 AC8 CR1 0.36000 8 5123 AC2* CH1 0.15000 9 5124 AO2* OA -0.36000 9 5125 AP2* P 0.63000 9 5126 AO6* OM -0.63500 9 5127 AO7* OM -0.63500 9 5128 AO8* OA -0.54800 9 5129 AH8* H 0.39800 9 5130 AC3* CH1 0.15000 10 5131 AO3* OA -0.54800 10 5132 AH3* H 0.39800 10 5133 NC5* CH2 0.00000 11 5134 NC4* CH1 0.16000 12 5135 NO4* OA -0.36000 12 5136 NC1* CH1 0.20000 12 5137 NN1 NR -0.20000 13 5138 NC6 CR1 0.20000 13 5139 NC2 CR1 0.00000 13 5140 NC3 C 0.00000 13 5141 NC4 CH2 0.00000 13 5142 NC5 CR1 0.00000 13 5143 NC7 C 0.38000 14 5144 NO7 O -0.38000 14 5145 NN7 NT -0.83000 15 5146 NH71 H 0.41500 15 5147 NH72 H 0.41500 15 5148 NC2* CH1 0.15000 16 5149 NO2* OA -0.54800 16 5150 NH2* H 0.39800 16 5151 NC3* CH1 0.15000 17 5152 NO3* OA -0.54800 17 5153 NH3* H 0.39800 17 5154 [ bonds ] 5155 AP AO1P gb_23 5156 AP AO2P gb_23 5157 AP AO5* gb_27 5158 AP O3P gb_27 5159 AO5* AC5* gb_19 5160 O3P NP gb_27 5161 NP NO1P gb_23 5162 NP NO2P gb_23 5163 NP NO5* gb_27 5164 NO5* NC5* gb_19 5165 AC5* AC4* gb_25 5166 AC4* AO4* gb_19 5167 AC4* AC3* gb_25 5168 AO4* AC1* gb_19 5169 AC1* AN9 gb_21 5170 AC1* AC2* gb_25 5171 AN9 AC4 gb_9 5172 AN9 AC8 gb_9 5173 AC4 AN3 gb_11 5174 AC4 AC5 gb_15 5175 AN3 AC2 gb_6 5176 AC2 AN1 gb_6 5177 AN1 AC6 gb_11 5178 AC6 AN6 gb_8 5179 AC6 AC5 gb_15 5180 AN6 AH61 gb_2 5181 AN6 AH62 gb_2 5182 AC5 AN7 gb_9 5183 AN7 AC8 gb_9 5184 AC2* AO2* gb_19 5185 AC2* AC3* gb_25 5186 AO2* AP2* gb_27 5187 AP2* AO6* gb_23 5188 AP2* AO7* gb_23 5189 AP2* AO8* gb_27 5190 AO8* AH8* gb_1 5191 AC3* AO3* gb_19 5192 AO3* AH3* gb_1 5193 NC5* NC4* gb_25 5194 NC4* NO4* gb_19 5195 NC4* NC3* gb_25 5196 NO4* NC1* gb_19 5197 NC1* NN1 gb_22 5198 NC1* NC2* gb_25 5199 NN1 NC6 gb_16 5200 NN1 NC2 gb_16 5201 NC6 NC5 gb_15 5202 NC2 NC3 gb_15 5203 NC3 NC4 gb_14 5204 NC3 NC7 gb_26 5205 NC4 NC5 gb_14 5206 NC7 NO7 gb_4 5207 NC7 NN7 gb_8 5208 NN7 NH71 gb_2 5209 NN7 NH72 gb_2 5210 NC2* NO2* gb_19 5211 NC2* NC3* gb_25 5212 NO2* NH2* gb_1 5213 NC3* NO3* gb_19 5214 NO3* NH3* gb_1 5215 [ exclusions ] 5216; ai aj 5217 AC1* AN3 5218 AC1* AC5 5219 AC1* AN7 5220 AN9 AC2 5221 AN9 AC6 5222 AC4 AN1 5223 AC4 AN6 5224 AN3 AC6 5225 AN3 AN7 5226 AN3 AC8 5227 AC2 AN6 5228 AC2 AC5 5229 AN1 AN7 5230 AC6 AC8 5231 AN6 AN7 5232 AO2* AH8* 5233 AO6* AH8* 5234 AO7* AH8* 5235 NC1* NC3 5236 NC1* NC5 5237 NN1 NC4 5238 NN1 NC7 5239 NC6 NC3 5240 NC2 NC5 5241 NC5 NC7 5242 [ angles ] 5243; ai aj ak gromos type 5244 AO1P AP AO2P ga_28 5245 AO1P AP AO5* ga_13 5246 AO1P AP O3P ga_13 5247 AO2P AP AO5* ga_13 5248 AO2P AP O3P ga_13 5249 AO5* AP O3P ga_4 5250 AP AO5* AC5* ga_25 5251 AP O3P NP ga_25 5252 O3P NP NO1P ga_13 5253 O3P NP NO2P ga_13 5254 O3P NP NO5* ga_4 5255 NO1P NP NO2P ga_28 5256 NO1P NP NO5* ga_13 5257 NO2P NP NO5* ga_13 5258 NP NO5* NC5* ga_25 5259 AO5* AC5* AC4* ga_8 5260 AC5* AC4* AO4* ga_8 5261 AC5* AC4* AC3* ga_7 5262 AO4* AC4* AC3* ga_8 5263 AC4* AO4* AC1* ga_9 5264 AO4* AC1* AN9 ga_8 5265 AO4* AC1* AC2* ga_8 5266 AN9 AC1* AC2* ga_8 5267 AC1* AN9 AC4 ga_36 5268 AC1* AN9 AC8 ga_36 5269 AC4 AN9 AC8 ga_6 5270 AN9 AC4 AN3 ga_38 5271 AN9 AC4 AC5 ga_6 5272 AN3 AC4 AC5 ga_26 5273 AC4 AN3 AC2 ga_26 5274 AN3 AC2 AN1 ga_26 5275 AC2 AN1 AC6 ga_26 5276 AN1 AC6 AN6 ga_26 5277 AN1 AC6 AC5 ga_26 5278 AN6 AC6 AC5 ga_26 5279 AC6 AN6 AH61 ga_22 5280 AC6 AN6 AH62 ga_22 5281 AH61 AN6 AH62 ga_23 5282 AC4 AC5 AC6 ga_26 5283 AC4 AC5 AN7 ga_6 5284 AC6 AC5 AN7 ga_38 5285 AC5 AN7 AC8 ga_6 5286 AN9 AC8 AN7 ga_6 5287 AC1* AC2* AO2* ga_8 5288 AC1* AC2* AC3* ga_7 5289 AO2* AC2* AC3* ga_8 5290 AC2* AO2* AP2* ga_25 5291 AO2* AP2* AO6* ga_13 5292 AO2* AP2* AO7* ga_13 5293 AO2* AP2* AO8* ga_4 5294 AO6* AP2* AO7* ga_28 5295 AO6* AP2* AO8* ga_13 5296 AO7* AP2* AO8* ga_13 5297 AP2* AO8* AH8* ga_11 5298 AC4* AC3* AC2* ga_7 5299 AC4* AC3* AO3* ga_8 5300 AC2* AC3* AO3* ga_8 5301 AC3* AO3* AH3* ga_11 5302 NO5* NC5* NC4* ga_8 5303 NC5* NC4* NO4* ga_8 5304 NC5* NC4* NC3* ga_7 5305 NO4* NC4* NC3* ga_8 5306 NC4* NO4* NC1* ga_9 5307 NO4* NC1* NN1 ga_8 5308 NO4* NC1* NC2* ga_8 5309 NN1 NC1* NC2* ga_7 5310 NC1* NN1 NC6 ga_26 5311 NC1* NN1 NC2 ga_26 5312 NC6 NN1 NC2 ga_26 5313 NN1 NC6 NC5 ga_26 5314 NN1 NC2 NC3 ga_26 5315 NC2 NC3 NC4 ga_26 5316 NC2 NC3 NC7 ga_26 5317 NC4 NC3 NC7 ga_26 5318 NC3 NC4 NC5 ga_26 5319 NC6 NC5 NC4 ga_26 5320 NC3 NC7 NO7 ga_29 5321 NC3 NC7 NN7 ga_18 5322 NO7 NC7 NN7 ga_32 5323 NC7 NN7 NH71 ga_22 5324 NC7 NN7 NH72 ga_22 5325 NH71 NN7 NH72 ga_23 5326 NC1* NC2* NO2* ga_8 5327 NC1* NC2* NC3* ga_7 5328 NO2* NC2* NC3* ga_8 5329 NC2* NO2* NH2* ga_11 5330 NC4* NC3* NC2* ga_7 5331 NC4* NC3* NO3* ga_8 5332 NC2* NC3* NO3* ga_8 5333 NC3* NO3* NH3* ga_11 5334 [ impropers ] 5335; ai aj ak al gromos type 5336 AC4* AO4* AC5* AC3* gi_2 5337 AC3* AC2* AO3* AC4* gi_2 5338 AC2* AO2* AC3* AC1* gi_2 5339 AC1* AN9 AO4* AC2* gi_2 5340 AN9 AC8 AC4 AC1* gi_1 5341 AC4 AN9 AC8 AN7 gi_1 5342 AC8 AN9 AC4 AC5 gi_1 5343 AN9 AC8 AN7 AC5 gi_1 5344 AN9 AC4 AC5 AN7 gi_1 5345 AC8 AN7 AC5 AC4 gi_1 5346 AC4 AN9 AN3 AC5 gi_1 5347 AC5 AC6 AN7 AC4 gi_1 5348 AN3 AC4 AC5 AC6 gi_1 5349 AC4 AC5 AC6 AN1 gi_1 5350 AC5 AC4 AN3 AC2 gi_1 5351 AC5 AC6 AN1 AC2 gi_1 5352 AC4 AN3 AC2 AN1 gi_1 5353 AN3 AC2 AN1 AC6 gi_1 5354 AC6 AC5 AN1 AN6 gi_1 5355 AN6 AH61 AH62 AC6 gi_1 5356 NC4* NO4* NC5* NC3* gi_2 5357 NC3* NC2* NO3* NC4* gi_2 5358 NC2* NO2* NC3* NC1* gi_2 5359 NC1* NN1 NO4* NC2* gi_2 5360 NN1 NC6 NC2 NC1* gi_1 5361 NC2 NN1 NC6 NC5 gi_1 5362 NC6 NN1 NC2 NC3 gi_1 5363 NN1 NC6 NC5 NC4 gi_1 5364 NN1 NC2 NC3 NC4 gi_1 5365 NC6 NC5 NC4 NC3 gi_1 5366 NC2 NC3 NC4 NC5 gi_1 5367 NC3 NC4 NC2 NC7 gi_1 5368 NC7 NO7 NN7 NC3 gi_1 5369 NN7 NH71 NH72 NC7 gi_1 5370 [ dihedrals ] 5371; ai aj ak al gromos type 5372 AO5* AP O3P NP gd_11 5373 AO5* AP O3P NP gd_9 5374 O3P AP AO5* AC5* gd_11 5375 O3P AP AO5* AC5* gd_9 5376 AP AO5* AC5* AC4* gd_14 5377 AO5* AC5* AC4* AC3* gd_17 5378 AO5* AC5* AC4* AC3* gd_7 5379 AO5* AC5* AC4* AO4* gd_8 5380 AC5* AC4* AC3* AC2* gd_17 5381 AC5* AC4* AC3* AO3* gd_7 5382 AO4* AC4* AC3* AC2* gd_7 5383 AO4* AC4* AC3* AO3* gd_8 5384 AC4* AC3* AC2* AC1* gd_17 5385 AO3* AC3* AC2* AC1* gd_7 5386 AC4* AC3* AC2* AO2* gd_7 5387 AO3* AC3* AC2* AO2* gd_8 5388 AC3* AC2* AC1* AO4* gd_17 5389 AC3* AC2* AC1* AO4* gd_7 5390 AO2* AC2* AC1* AN9 gd_7 5391 AO2* AC2* AC1* AO4* gd_8 5392 AC3* AC4* AO4* AC1* gd_14 5393 AC4* AO4* AC1* AC2* gd_14 5394 AC1* AC2* AO2* AP2* gd_12 5395 AC2* AO2* AP2* AO8* gd_11 5396 AC2* AO2* AP2* AO8* gd_9 5397 AO2* AP2* AO8* AH8* gd_11 5398 AO2* AP2* AO8* AH8* gd_9 5399 AC4* AC3* AO3* AH3* gd_12 5400 AO4* AC1* AN9 AC4 gd_6 5401 AC5 AC6 AN6 AH61 gd_4 5402 AP O3P NP NO5* gd_11 5403 AP O3P NP NO5* gd_9 5404 O3P NP NO5* NC5* gd_11 5405 O3P NP NO5* NC5* gd_9 5406 NP NO5* NC5* NC4* gd_14 5407 NO5* NC5* NC4* NC3* gd_17 5408 NO5* NC5* NC4* NC3* gd_7 5409 NO5* NC5* NC4* NO4* gd_8 5410 NC5* NC4* NC3* NC2* gd_17 5411 NC5* NC4* NC3* NO3* gd_7 5412 NO4* NC4* NC3* NC2* gd_7 5413 NO4* NC4* NC3* NO3* gd_8 5414 NC4* NC3* NC2* NC1* gd_17 5415 NO3* NC3* NC2* NC1* gd_7 5416 NC4* NC3* NC2* NO2* gd_7 5417 NO3* NC3* NC2* NO2* gd_8 5418 NC3* NC2* NC1* NO4* gd_17 5419 NC3* NC2* NC1* NO4* gd_7 5420 NO2* NC2* NC1* NN1 gd_7 5421 NO2* NC2* NC1* NO4* gd_8 5422 NC3* NC4* NO4* NC1* gd_14 5423 NC4* NO4* NC1* NC2* gd_14 5424 NC1* NC2* NO2* NH2* gd_12 5425 NC4* NC3* NO3* NH3* gd_12 5426 NO4* NC1* NN1 NC2 gd_6 5427 NC2 NC3 NC7 NN7 gd_1 5428 NC3 NC7 NN7 NH71 gd_4 5429 5430[ NDPP ] 5431 [ atoms ] 5432 AP P 0.76000 0 5433 AO1P OM -0.63500 0 5434 AO2P OM -0.63500 0 5435 AO5* OA -0.36000 0 5436 O3P OA -0.26000 1 5437 NP P 0.76000 1 5438 NO1P OM -0.63500 1 5439 NO2P OM -0.63500 1 5440 NO5* OA -0.36000 1 5441 AC5* CH2 0.00000 2 5442 AC4* CH1 0.16000 3 5443 AO4* OA -0.36000 3 5444 AC1* CH1 0.20000 3 5445 AN9 NR -0.20000 4 5446 AC4 C 0.20000 4 5447 AN3 NR -0.36000 5 5448 AC2 CR1 0.36000 5 5449 AN1 NR -0.36000 6 5450 AC6 C 0.36000 6 5451 AN6 NT -0.83000 7 5452 AH61 H 0.41500 7 5453 AH62 H 0.41500 7 5454 AC5 C 0.00000 8 5455 AN7 NR -0.36000 8 5456 AC8 CR1 0.36000 8 5457 AC2* CH1 0.15000 9 5458 AO2* OA -0.36000 9 5459 AP2* P 0.63000 9 5460 AO6* OM -0.63500 9 5461 AO7* OM -0.63500 9 5462 AO8* OA -0.54800 9 5463 AH8* H 0.39800 9 5464 AC3* CH1 0.15000 10 5465 AO3* OA -0.54800 10 5466 AH3* H 0.39800 10 5467 NC5* CH2 0.00000 11 5468 NC4* CH1 0.16000 12 5469 NO4* OA -0.36000 12 5470 NC1* CH1 0.20000 12 5471 NN1 NR 0.10000 13 5472 NC6 CR1 0.30000 13 5473 NC2 CR1 0.25000 13 5474 NC3 C 0.00000 13 5475 NC4 CR1 0.25000 13 5476 NC5 CR1 0.10000 13 5477 NC7 C 0.38000 14 5478 NO7 O -0.38000 14 5479 NN7 NT -0.83000 15 5480 NH71 H 0.41500 15 5481 NH72 H 0.41500 15 5482 NC2* CH1 0.15000 16 5483 NO2* OA -0.54800 16 5484 NH2* H 0.39800 16 5485 NC3* CH1 0.15000 17 5486 NO3* OA -0.54800 17 5487 NH3* H 0.39800 17 5488 [ bonds ] 5489 AP AO1P gb_23 5490 AP AO2P gb_23 5491 AP AO5* gb_27 5492 AP O3P gb_27 5493 AO5* AC5* gb_19 5494 O3P NP gb_27 5495 NP NO1P gb_23 5496 NP NO2P gb_23 5497 NP NO5* gb_27 5498 NO5* NC5* gb_19 5499 AC5* AC4* gb_25 5500 AC4* AO4* gb_19 5501 AC4* AC3* gb_25 5502 AO4* AC1* gb_19 5503 AC1* AN9 gb_21 5504 AC1* AC2* gb_25 5505 AN9 AC4 gb_9 5506 AN9 AC8 gb_9 5507 AC4 AN3 gb_11 5508 AC4 AC5 gb_15 5509 AN3 AC2 gb_6 5510 AC2 AN1 gb_6 5511 AN1 AC6 gb_11 5512 AC6 AN6 gb_8 5513 AC6 AC5 gb_15 5514 AN6 AH61 gb_2 5515 AN6 AH62 gb_2 5516 AC5 AN7 gb_9 5517 AN7 AC8 gb_9 5518 AC2* AO2* gb_19 5519 AC2* AC3* gb_25 5520 AO2* AP2* gb_27 5521 AP2* AO6* gb_23 5522 AP2* AO7* gb_23 5523 AP2* AO8* gb_27 5524 AO8* AH8* gb_1 5525 AC3* AO3* gb_19 5526 AO3* AH3* gb_1 5527 NC5* NC4* gb_25 5528 NC4* NO4* gb_19 5529 NC4* NC3* gb_25 5530 NO4* NC1* gb_19 5531 NC1* NN1 gb_22 5532 NC1* NC2* gb_25 5533 NN1 NC6 gb_16 5534 NN1 NC2 gb_16 5535 NC6 NC5 gb_15 5536 NC2 NC3 gb_15 5537 NC3 NC4 gb_15 5538 NC3 NC7 gb_26 5539 NC4 NC5 gb_15 5540 NC7 NO7 gb_4 5541 NC7 NN7 gb_8 5542 NN7 NH71 gb_2 5543 NN7 NH72 gb_2 5544 NC2* NO2* gb_19 5545 NC2* NC3* gb_25 5546 NO2* NH2* gb_1 5547 NC3* NO3* gb_19 5548 NO3* NH3* gb_1 5549 [ exclusions ] 5550; ai aj 5551 AC1* AN3 5552 AC1* AC5 5553 AC1* AN7 5554 AN9 AC2 5555 AN9 AC6 5556 AC4 AN1 5557 AC4 AN6 5558 AN3 AC6 5559 AN3 AN7 5560 AN3 AC8 5561 AC2 AN6 5562 AC2 AC5 5563 AN1 AN7 5564 AC6 AC8 5565 AN6 AN7 5566 AO2* AH8* 5567 AO6* AH8* 5568 AO7* AH8* 5569 NC1* NC3 5570 NC1* NC5 5571 NN1 NC4 5572 NN1 NC7 5573 NC6 NC3 5574 NC2 NC5 5575 NC5 NC7 5576 [ angles ] 5577; ai aj ak gromos type 5578 AO1P AP AO2P ga_28 5579 AO1P AP AO5* ga_13 5580 AO1P AP O3P ga_13 5581 AO2P AP AO5* ga_13 5582 AO2P AP O3P ga_13 5583 AO5* AP O3P ga_4 5584 AP AO5* AC5* ga_25 5585 AP O3P NP ga_25 5586 O3P NP NO1P ga_13 5587 O3P NP NO2P ga_13 5588 O3P NP NO5* ga_4 5589 NO1P NP NO2P ga_28 5590 NO1P NP NO5* ga_13 5591 NO2P NP NO5* ga_13 5592 NP NO5* NC5* ga_25 5593 AO5* AC5* AC4* ga_8 5594 AC5* AC4* AO4* ga_8 5595 AC5* AC4* AC3* ga_7 5596 AO4* AC4* AC3* ga_8 5597 AC4* AO4* AC1* ga_9 5598 AO4* AC1* AN9 ga_8 5599 AO4* AC1* AC2* ga_8 5600 AN9 AC1* AC2* ga_8 5601 AC1* AN9 AC4 ga_36 5602 AC1* AN9 AC8 ga_36 5603 AC4 AN9 AC8 ga_6 5604 AN9 AC4 AN3 ga_38 5605 AN9 AC4 AC5 ga_6 5606 AN3 AC4 AC5 ga_26 5607 AC4 AN3 AC2 ga_26 5608 AN3 AC2 AN1 ga_26 5609 AC2 AN1 AC6 ga_26 5610 AN1 AC6 AN6 ga_26 5611 AN1 AC6 AC5 ga_26 5612 AN6 AC6 AC5 ga_26 5613 AC6 AN6 AH61 ga_22 5614 AC6 AN6 AH62 ga_22 5615 AH61 AN6 AH62 ga_23 5616 AC4 AC5 AC6 ga_26 5617 AC4 AC5 AN7 ga_6 5618 AC6 AC5 AN7 ga_38 5619 AC5 AN7 AC8 ga_6 5620 AN9 AC8 AN7 ga_6 5621 AC1* AC2* AO2* ga_8 5622 AC1* AC2* AC3* ga_7 5623 AO2* AC2* AC3* ga_8 5624 AC2* AO2* AP2* ga_25 5625 AO2* AP2* AO6* ga_13 5626 AO2* AP2* AO7* ga_13 5627 AO2* AP2* AO8* ga_4 5628 AO6* AP2* AO7* ga_28 5629 AO6* AP2* AO8* ga_13 5630 AO7* AP2* AO8* ga_13 5631 AP2* AO8* AH8* ga_11 5632 AC4* AC3* AC2* ga_7 5633 AC4* AC3* AO3* ga_8 5634 AC2* AC3* AO3* ga_8 5635 AC3* AO3* AH3* ga_11 5636 NO5* NC5* NC4* ga_8 5637 NC5* NC4* NO4* ga_8 5638 NC5* NC4* NC3* ga_7 5639 NO4* NC4* NC3* ga_8 5640 NC4* NO4* NC1* ga_9 5641 NO4* NC1* NN1 ga_8 5642 NO4* NC1* NC2* ga_8 5643 NN1 NC1* NC2* ga_7 5644 NC1* NN1 NC6 ga_26 5645 NC1* NN1 NC2 ga_26 5646 NC6 NN1 NC2 ga_26 5647 NN1 NC6 NC5 ga_26 5648 NN1 NC2 NC3 ga_26 5649 NC2 NC3 NC4 ga_26 5650 NC2 NC3 NC7 ga_26 5651 NC4 NC3 NC7 ga_26 5652 NC3 NC4 NC5 ga_26 5653 NC6 NC5 NC4 ga_26 5654 NC3 NC7 NO7 ga_29 5655 NC3 NC7 NN7 ga_18 5656 NO7 NC7 NN7 ga_32 5657 NC7 NN7 NH71 ga_22 5658 NC7 NN7 NH72 ga_22 5659 NH71 NN7 NH72 ga_23 5660 NC1* NC2* NO2* ga_8 5661 NC1* NC2* NC3* ga_7 5662 NO2* NC2* NC3* ga_8 5663 NC2* NO2* NH2* ga_11 5664 NC4* NC3* NC2* ga_7 5665 NC4* NC3* NO3* ga_8 5666 NC2* NC3* NO3* ga_8 5667 NC3* NO3* NH3* ga_11 5668 [ impropers ] 5669; ai aj ak al gromos type 5670 AC4* AO4* AC5* AC3* gi_2 5671 AC3* AC2* AO3* AC4* gi_2 5672 AC2* AO2* AC3* AC1* gi_2 5673 AC1* AN9 AO4* AC2* gi_2 5674 AN9 AC8 AC4 AC1* gi_1 5675 AC4 AN9 AC8 AN7 gi_1 5676 AC8 AN9 AC4 AC5 gi_1 5677 AN9 AC8 AN7 AC5 gi_1 5678 AN9 AC4 AC5 AN7 gi_1 5679 AC8 AN7 AC5 AC4 gi_1 5680 AC4 AN9 AN3 AC5 gi_1 5681 AC5 AC6 AN7 AC4 gi_1 5682 AN3 AC4 AC5 AC6 gi_1 5683 AC4 AC5 AC6 AN1 gi_1 5684 AC5 AC4 AN3 AC2 gi_1 5685 AC5 AC6 AN1 AC2 gi_1 5686 AC4 AN3 AC2 AN1 gi_1 5687 AN3 AC2 AN1 AC6 gi_1 5688 AC6 AC5 AN1 AN6 gi_1 5689 AN6 AH61 AH62 AC6 gi_1 5690 NC4* NO4* NC5* NC3* gi_2 5691 NC3* NC2* NO3* NC4* gi_2 5692 NC2* NO2* NC3* NC1* gi_2 5693 NC1* NN1 NO4* NC2* gi_2 5694 NN1 NC6 NC2 NC1* gi_1 5695 NC2 NN1 NC6 NC5 gi_1 5696 NC6 NN1 NC2 NC3 gi_1 5697 NN1 NC6 NC5 NC4 gi_1 5698 NN1 NC2 NC3 NC4 gi_1 5699 NC6 NC5 NC4 NC3 gi_1 5700 NC2 NC3 NC4 NC5 gi_1 5701 NC3 NC4 NC2 NC7 gi_1 5702 NC7 NO7 NN7 NC3 gi_1 5703 NN7 NH71 NH72 NC7 gi_1 5704 [ dihedrals ] 5705; ai aj ak al gromos type 5706 AO5* AP O3P NP gd_11 5707 AO5* AP O3P NP gd_9 5708 O3P AP AO5* AC5* gd_11 5709 O3P AP AO5* AC5* gd_9 5710 AP AO5* AC5* AC4* gd_14 5711 AO5* AC5* AC4* AC3* gd_17 5712 AO5* AC5* AC4* AC3* gd_7 5713 AO5* AC5* AC4* AO4* gd_8 5714 AC5* AC4* AC3* AC2* gd_17 5715 AC5* AC4* AC3* AO3* gd_7 5716 AO4* AC4* AC3* AC2* gd_7 5717 AO4* AC4* AC3* AO3* gd_8 5718 AC4* AC3* AC2* AC1* gd_17 5719 AO3* AC3* AC2* AC1* gd_7 5720 AC4* AC3* AC2* AO2* gd_7 5721 AO3* AC3* AC2* AO2* gd_8 5722 AC3* AC2* AC1* AO4* gd_17 5723 AC3* AC2* AC1* AO4* gd_7 5724 AO2* AC2* AC1* AN9 gd_7 5725 AO2* AC2* AC1* AO4* gd_8 5726 AC3* AC4* AO4* AC1* gd_14 5727 AC4* AO4* AC1* AC2* gd_14 5728 AC1* AC2* AO2* AP2* gd_12 5729 AC2* AO2* AP2* AO8* gd_11 5730 AC2* AO2* AP2* AO8* gd_9 5731 AO2* AP2* AO8* AH8* gd_11 5732 AO2* AP2* AO8* AH8* gd_9 5733 AC4* AC3* AO3* AH3* gd_12 5734 AO4* AC1* AN9 AC4 gd_6 5735 AC5 AC6 AN6 AH61 gd_4 5736 AP O3P NP NO5* gd_11 5737 AP O3P NP NO5* gd_9 5738 O3P NP NO5* NC5* gd_11 5739 O3P NP NO5* NC5* gd_9 5740 NP NO5* NC5* NC4* gd_14 5741 NO5* NC5* NC4* NC3* gd_17 5742 NO5* NC5* NC4* NC3* gd_7 5743 NO5* NC5* NC4* NO4* gd_8 5744 NC5* NC4* NC3* NC2* gd_17 5745 NC5* NC4* NC3* NO3* gd_7 5746 NO4* NC4* NC3* NC2* gd_7 5747 NO4* NC4* NC3* NO3* gd_8 5748 NC4* NC3* NC2* NC1* gd_17 5749 NO3* NC3* NC2* NC1* gd_7 5750 NC4* NC3* NC2* NO2* gd_7 5751 NO3* NC3* NC2* NO2* gd_8 5752 NC3* NC2* NC1* NO4* gd_17 5753 NC3* NC2* NC1* NO4* gd_7 5754 NO2* NC2* NC1* NN1 gd_7 5755 NO2* NC2* NC1* NO4* gd_8 5756 NC3* NC4* NO4* NC1* gd_14 5757 NC4* NO4* NC1* NC2* gd_14 5758 NC1* NC2* NO2* NH2* gd_12 5759 NC4* NC3* NO3* NH3* gd_12 5760 NO4* NC1* NN1 NC2 gd_6 5761 NC2 NC3 NC7 NN7 gd_1 5762 NC3 NC7 NN7 NH71 gd_4 5763 5764[ NDPHN ] 5765 [ atoms ] 5766 AP P 1.02000 0 5767 AO1P OA -0.54800 0 5768 AH1P H 0.39800 0 5769 AO2P O -0.38000 0 5770 AO5* OA -0.36000 0 5771 O3P OA -0.26000 1 5772 NP P 1.02000 1 5773 NO1P OA -0.54800 1 5774 NH1P H 0.39800 1 5775 NO2P O -0.38000 1 5776 NO5* OA -0.36000 1 5777 AC5* CH2 0.00000 2 5778 AC4* CH1 0.16000 3 5779 AO4* OA -0.36000 3 5780 AC1* CH1 0.20000 3 5781 AN9 NR -0.20000 4 5782 AC4 C 0.20000 4 5783 AN3 NR -0.36000 5 5784 AC2 CR1 0.36000 5 5785 AN1 NR -0.36000 6 5786 AC6 C 0.36000 6 5787 AN6 NT -0.83000 7 5788 AH61 H 0.41500 7 5789 AH62 H 0.41500 7 5790 AC5 C 0.00000 8 5791 AN7 NR -0.36000 8 5792 AC8 CR1 0.36000 8 5793 AC2* CH1 0.15000 9 5794 AO2* OA -0.36000 9 5795 AP2* P 0.89000 9 5796 AO6* O -0.38000 9 5797 AO7* OA -0.54800 9 5798 AH7* H 0.39800 9 5799 AO8* OA -0.54800 9 5800 AH8* H 0.39800 9 5801 AC3* CH1 0.15000 10 5802 AO3* OA -0.54800 10 5803 AH3* H 0.39800 10 5804 NC5* CH2 0.00000 11 5805 NC4* CH1 0.16000 12 5806 NO4* OA -0.36000 12 5807 NC1* CH1 0.20000 12 5808 NN1 NR -0.20000 13 5809 NC6 CR1 0.20000 13 5810 NC2 CR1 0.00000 13 5811 NC3 C 0.00000 13 5812 NC4 CH2 0.00000 13 5813 NC5 CR1 0.00000 13 5814 NC7 C 0.38000 14 5815 NO7 O -0.38000 14 5816 NN7 NT -0.83000 15 5817 NH71 H 0.41500 15 5818 NH72 H 0.41500 15 5819 NC2* CH1 0.15000 16 5820 NO2* OA -0.54800 16 5821 NH2* H 0.39800 16 5822 NC3* CH1 0.15000 17 5823 NO3* OA -0.54800 17 5824 NH3* H 0.39800 17 5825 [ bonds ] 5826 AP AO1P gb_27 5827 AO1P AH1P gb_1 5828 AP AO2P gb_23 5829 AP AO5* gb_27 5830 AP O3P gb_27 5831 AO5* AC5* gb_19 5832 O3P NP gb_27 5833 NP NO1P gb_27 5834 NO1P NH1P gb_1 5835 NP NO2P gb_23 5836 NP NO5* gb_27 5837 NO5* NC5* gb_19 5838 AC5* AC4* gb_25 5839 AC4* AO4* gb_19 5840 AC4* AC3* gb_25 5841 AO4* AC1* gb_19 5842 AC1* AN9 gb_21 5843 AC1* AC2* gb_25 5844 AN9 AC4 gb_9 5845 AN9 AC8 gb_9 5846 AC4 AN3 gb_11 5847 AC4 AC5 gb_15 5848 AN3 AC2 gb_6 5849 AC2 AN1 gb_6 5850 AN1 AC6 gb_11 5851 AC6 AN6 gb_8 5852 AC6 AC5 gb_15 5853 AN6 AH61 gb_2 5854 AN6 AH62 gb_2 5855 AC5 AN7 gb_9 5856 AN7 AC8 gb_9 5857 AC2* AO2* gb_19 5858 AC2* AC3* gb_25 5859 AO2* AP2* gb_27 5860 AP2* AO6* gb_23 5861 AP2* AO7* gb_27 5862 AP2* AO8* gb_27 5863 AO7* AH7* gb_1 5864 AO8* AH8* gb_1 5865 AC3* AO3* gb_19 5866 AO3* AH3* gb_1 5867 NC5* NC4* gb_25 5868 NC4* NO4* gb_19 5869 NC4* NC3* gb_25 5870 NO4* NC1* gb_19 5871 NC1* NN1 gb_22 5872 NC1* NC2* gb_25 5873 NN1 NC6 gb_16 5874 NN1 NC2 gb_16 5875 NC6 NC5 gb_15 5876 NC2 NC3 gb_15 5877 NC3 NC4 gb_14 5878 NC3 NC7 gb_26 5879 NC4 NC5 gb_14 5880 NC7 NO7 gb_4 5881 NC7 NN7 gb_8 5882 NN7 NH71 gb_2 5883 NN7 NH72 gb_2 5884 NC2* NO2* gb_19 5885 NC2* NC3* gb_25 5886 NO2* NH2* gb_1 5887 NC3* NO3* gb_19 5888 NO3* NH3* gb_1 5889 [ exclusions ] 5890; ai aj 5891 AH1P AO2P 5892 AH1P AO5* 5893 AH1P O3P 5894 O3P NH1P 5895 NH1P NO2P 5896 NH1P NO5* 5897 AC1* AN3 5898 AC1* AC5 5899 AC1* AN7 5900 AN9 AC2 5901 AN9 AC6 5902 AC4 AN1 5903 AC4 AN6 5904 AN3 AC6 5905 AN3 AN7 5906 AN3 AC8 5907 AC2 AN6 5908 AC2 AC5 5909 AN1 AN7 5910 AC6 AC8 5911 AN6 AN7 5912 AO2* AH7* 5913 AO2* AH8* 5914 AO6* AH7* 5915 AO6* AH8* 5916 AO7* AH8* 5917 AH7* AO8* 5918 AH7* AH8* 5919 NC1* NC3 5920 NC1* NC5 5921 NN1 NC4 5922 NN1 NC7 5923 NC6 NC3 5924 NC2 NC5 5925 NC5 NC7 5926 [ angles ] 5927; ai aj ak gromos type 5928 AP AO1P AH1P ga_11 5929 AO1P AP AO2P ga_13 5930 AO1P AP AO5* ga_13 5931 AO1P AP O3P ga_13 5932 AO2P AP AO5* ga_13 5933 AO2P AP O3P ga_13 5934 AO5* AP O3P ga_13 5935 AP AO5* AC5* ga_25 5936 AP O3P NP ga_25 5937 O3P NP NO1P ga_13 5938 O3P NP NO2P ga_13 5939 O3P NP NO5* ga_13 5940 NO1P NP NO2P ga_13 5941 NO1P NP NO5* ga_13 5942 NO2P NP NO5* ga_13 5943 NP NO1P NH1P ga_11 5944 NP NO5* NC5* ga_25 5945 AO5* AC5* AC4* ga_8 5946 AC5* AC4* AO4* ga_8 5947 AC5* AC4* AC3* ga_7 5948 AO4* AC4* AC3* ga_8 5949 AC4* AO4* AC1* ga_9 5950 AO4* AC1* AN9 ga_8 5951 AO4* AC1* AC2* ga_8 5952 AN9 AC1* AC2* ga_8 5953 AC1* AN9 AC4 ga_36 5954 AC1* AN9 AC8 ga_36 5955 AC4 AN9 AC8 ga_6 5956 AN9 AC4 AN3 ga_38 5957 AN9 AC4 AC5 ga_6 5958 AC5 AC4 AN3 ga_26 5959 AC4 AN3 AC2 ga_26 5960 AN3 AC2 AN1 ga_26 5961 AC2 AN1 AC6 ga_26 5962 AN1 AC6 AN6 ga_26 5963 AN1 AC6 AC5 ga_26 5964 AN6 AC6 AC5 ga_26 5965 AC6 AN6 AH61 ga_22 5966 AC6 AN6 AH62 ga_22 5967 AH61 AN6 AH62 ga_23 5968 AC4 AC5 AC6 ga_26 5969 AC4 AC5 AN7 ga_6 5970 AC6 AC5 AN7 ga_38 5971 AC5 AN7 AC8 ga_6 5972 AN9 AC8 AN7 ga_6 5973 AC1* AC2* AO2* ga_8 5974 AC1* AC2* AC3* ga_7 5975 AO2* AC2* AC3* ga_8 5976 AC2* AO2* AP2* ga_25 5977 AO2* AP2* AO6* ga_13 5978 AO2* AP2* AO7* ga_13 5979 AO2* AP2* AO8* ga_13 5980 AO6* AP2* AO7* ga_13 5981 AO6* AP2* AO8* ga_13 5982 AO7* AP2* AO8* ga_13 5983 AP2* AO7* AH7* ga_11 5984 AP2* AO8* AH8* ga_11 5985 AC4* AC3* AC2* ga_7 5986 AC4* AC3* AO3* ga_8 5987 AC2* AC3* AO3* ga_8 5988 AC3* AO3* AH3* ga_11 5989 NO5* NC5* NC4* ga_8 5990 NC5* NC4* NO4* ga_8 5991 NC5* NC4* NC3* ga_7 5992 NO4* NC4* NC3* ga_8 5993 NC4* NO4* NC1* ga_9 5994 NO4* NC1* NN1 ga_8 5995 NO4* NC1* NC2* ga_8 5996 NN1 NC1* NC2* ga_7 5997 NC1* NN1 NC6 ga_26 5998 NC1* NN1 NC2 ga_26 5999 NC6 NN1 NC2 ga_26 6000 NN1 NC6 NC5 ga_26 6001 NN1 NC2 NC3 ga_26 6002 NC2 NC3 NC4 ga_26 6003 NC2 NC3 NC7 ga_26 6004 NC4 NC3 NC7 ga_26 6005 NC3 NC4 NC5 ga_26 6006 NC6 NC5 NC4 ga_26 6007 NC3 NC7 NO7 ga_29 6008 NC3 NC7 NN7 ga_18 6009 NO7 NC7 NN7 ga_32 6010 NC7 NN7 NH71 ga_22 6011 NC7 NN7 NH72 ga_22 6012 NH71 NN7 NH72 ga_23 6013 NC1* NC2* NO2* ga_8 6014 NC1* NC2* NC3* ga_7 6015 NO2* NC2* NC3* ga_8 6016 NC2* NO2* NH2* ga_11 6017 NC4* NC3* NC2* ga_7 6018 NC4* NC3* NO3* ga_8 6019 NC2* NC3* NO3* ga_8 6020 NC3* NO3* NH3* ga_11 6021 [ impropers ] 6022; ai aj ak al gromos type 6023 AC4* AO4* AC5* AC3* gi_2 6024 AC3* AC2* AO3* AC4* gi_2 6025 AC2* AO2* AC3* AC1* gi_2 6026 AC1* AN9 AO4* AC2* gi_2 6027 AN9 AC8 AC4 AC1* gi_1 6028 AC4 AN9 AC8 AN7 gi_1 6029 AC8 AN9 AC4 AC5 gi_1 6030 AN9 AC8 AN7 AC5 gi_1 6031 AN9 AC4 AC5 AN7 gi_1 6032 AC8 AN7 AC5 AC4 gi_1 6033 AC4 AN9 AN3 AC5 gi_1 6034 AC5 AC6 AN7 AC4 gi_1 6035 AN3 AC4 AC5 AC6 gi_1 6036 AC4 AC5 AC6 AN1 gi_1 6037 AC5 AC4 AN3 AC2 gi_1 6038 AC5 AC6 AN1 AC2 gi_1 6039 AC4 AN3 AC2 AN1 gi_1 6040 AN3 AC2 AN1 AC6 gi_1 6041 AC6 AC5 AN1 AN6 gi_1 6042 AN6 AH61 AH62 AC6 gi_1 6043 NC4* NO4* NC5* NC3* gi_2 6044 NC3* NC2* NO3* NC4* gi_2 6045 NC2* NO2* NC3* NC1* gi_2 6046 NC1* NN1 NO4* NC2* gi_2 6047 NN1 NC6 NC2 NC1* gi_1 6048 NC2 NN1 NC6 NC5 gi_1 6049 NC6 NN1 NC2 NC3 gi_1 6050 NN1 NC6 NC5 NC4 gi_1 6051 NN1 NC2 NC3 NC4 gi_1 6052 NC6 NC5 NC4 NC3 gi_1 6053 NC2 NC3 NC4 NC5 gi_1 6054 NC3 NC4 NC2 NC7 gi_1 6055 NC7 NO7 NN7 NC3 gi_1 6056 NN7 NH71 NH72 NC7 gi_1 6057 [ dihedrals ] 6058; ai aj ak al gromos type 6059 AO5* AP AO1P AH1P gd_11 6060 AO5* AP AO1P AH1P gd_9 6061 AO5* AP O3P NP gd_11 6062 AO5* AP O3P NP gd_9 6063 O3P AP AO5* AC5* gd_11 6064 O3P AP AO5* AC5* gd_9 6065 AP AO5* AC5* AC4* gd_14 6066 AO5* AC5* AC4* AC3* gd_17 6067 AO5* AC5* AC4* AC3* gd_7 6068 AO5* AC5* AC4* AO4* gd_8 6069 AC5* AC4* AC3* AC2* gd_17 6070 AC5* AC4* AC3* AO3* gd_7 6071 AO4* AC4* AC3* AC2* gd_7 6072 AO4* AC4* AC3* AO3* gd_8 6073 AC4* AC3* AC2* AC1* gd_17 6074 AO3* AC3* AC2* AC1* gd_7 6075 AC4* AC3* AC2* AO2* gd_7 6076 AO3* AC3* AC2* AO2* gd_8 6077 AC3* AC2* AC1* AO4* gd_17 6078 AC3* AC2* AC1* AO4* gd_7 6079 AO2* AC2* AC1* AN9 gd_7 6080 AO2* AC2* AC1* AO4* gd_8 6081 AC3* AC4* AO4* AC1* gd_14 6082 AC4* AO4* AC1* AC2* gd_14 6083 AC1* AC2* AO2* AP2* gd_12 6084 AC2* AO2* AP2* AO8* gd_11 6085 AC2* AO2* AP2* AO8* gd_9 6086 AO2* AP2* AO8* AH8* gd_11 6087 AO2* AP2* AO8* AH8* gd_9 6088 AO2* AP2* AO7* AH7* gd_11 6089 AO2* AP2* AO7* AH7* gd_9 6090 AC4* AC3* AO3* AH3* gd_12 6091 AO4* AC1* AN9 AC4 gd_6 6092 AC5 AC6 AN6 AH61 gd_4 6093 AP O3P NP NO5* gd_11 6094 AP O3P NP NO5* gd_9 6095 O3P NP NO5* NC5* gd_11 6096 O3P NP NO5* NC5* gd_9 6097 NO5* NP NO1P NH1P gd_11 6098 NO5* NP NO1P NH1P gd_9 6099 NP NO5* NC5* NC4* gd_14 6100 NO5* NC5* NC4* NC3* gd_17 6101 NO5* NC5* NC4* NC3* gd_7 6102 NO5* NC5* NC4* NO4* gd_8 6103 NC5* NC4* NC3* NC2* gd_17 6104 NC5* NC4* NC3* NO3* gd_7 6105 NO4* NC4* NC3* NC2* gd_7 6106 NO4* NC4* NC3* NO3* gd_8 6107 NC4* NC3* NC2* NC1* gd_17 6108 NO3* NC3* NC2* NC1* gd_7 6109 NC4* NC3* NC2* NO2* gd_7 6110 NO3* NC3* NC2* NO2* gd_8 6111 NC3* NC2* NC1* NO4* gd_17 6112 NC3* NC2* NC1* NO4* gd_7 6113 NO2* NC2* NC1* NN1 gd_7 6114 NO2* NC2* NC1* NO4* gd_8 6115 NC3* NC4* NO4* NC1* gd_14 6116 NC4* NO4* NC1* NC2* gd_14 6117 NC1* NC2* NO2* NH2* gd_12 6118 NC4* NC3* NO3* NH3* gd_12 6119 NO4* NC1* NN1 NC2 gd_6 6120 NC2 NC3 NC7 NN7 gd_1 6121 NC3 NC7 NN7 NH71 gd_4 6122 6123[ GLCA ] 6124 [ atoms ] 6125 C1 CH1 0.40000 0 6126 O5 OA -0.36000 0 6127 C5 CH1 0.16000 0 6128 C6 CH2 0.15000 1 6129 O6 OA -0.54800 1 6130 H6 H 0.39800 1 6131 C2 CH1 0.15000 2 6132 O2 OA -0.54800 2 6133 H2 H 0.39800 2 6134 C3 CH1 0.15000 3 6135 O3 OA -0.54800 3 6136 H3 H 0.39800 3 6137 C4 CH1 0.160 4 6138 O4 OA -0.360 4 6139 [ bonds ] 6140 C1 O5 gb_19 6141 C1 C2 gb_25 6142 O5 C5 gb_19 6143 C5 C6 gb_25 6144 C5 C4 gb_25 6145 C6 O6 gb_19 6146 O6 H6 gb_1 6147 C2 O2 gb_19 6148 C2 C3 gb_25 6149 O2 H2 gb_1 6150 C3 O3 gb_19 6151 C3 C4 gb_25 6152 O3 H3 gb_1 6153 C4 O4 gb_19 6154 O4 +N gb_19 6155 [ angles ] 6156; ai aj ak gromos type 6157 -O C1 O5 ga_8 6158 -O C1 C2 ga_8 6159 O5 C1 C2 ga_8 6160 C1 O5 C5 ga_9 6161 O5 C5 C6 ga_8 6162 O5 C5 C4 ga_8 6163 C6 C5 C4 ga_7 6164 C5 C6 O6 ga_8 6165 C6 O6 H6 ga_11 6166 C1 C2 O2 ga_8 6167 C1 C2 C3 ga_7 6168 O2 C2 C3 ga_8 6169 C2 O2 H2 ga_11 6170 C2 C3 O3 ga_8 6171 C2 C3 C4 ga_7 6172 O3 C3 C4 ga_8 6173 C3 O3 H3 ga_11 6174 C5 C4 C3 ga_7 6175 C5 C4 O4 ga_8 6176 C3 C4 O4 ga_8 6177 C4 O4 +N ga_9 6178 [ impropers ] 6179; ai aj ak al gromos type 6180 C1 O5 -O C2 gi_2 6181 C5 O5 C6 C4 gi_2 6182 C2 O2 C3 C1 gi_2 6183 C3 O3 C2 C4 gi_2 6184 C4 C3 O4 C5 gi_2 6185 [ dihedrals ] 6186; ai aj ak al gromos type 6187 -C -O C1 C2 gd_14 6188 -O C1 C2 C3 gd_17 6189 -O C1 C2 C3 gd_7 6190 O5 C1 C2 C3 gd_7 6191 O5 C1 C2 O2 gd_8 6192 -O C1 C2 O2 gd_8 6193 C1 C2 O2 H2 gd_12 6194 C1 C2 C3 C4 gd_17 6195 C1 C2 C3 O3 gd_7 6196 O2 C2 C3 C4 gd_7 6197 O2 C2 C3 O3 gd_8 6198 C2 C3 O3 H3 gd_12 6199 C2 C3 C4 C5 gd_17 6200 C2 C3 C4 O4 gd_7 6201 O3 C3 C4 C5 gd_7 6202 O3 C3 C4 O4 gd_8 6203 C2 C1 O5 C5 gd_14 6204 C1 O5 C5 C4 gd_14 6205 C4 C5 C6 O6 gd_17 6206 C4 C5 C6 O6 gd_7 6207 O5 C5 C6 O6 gd_8 6208 C5 C6 O6 H6 gd_12 6209 C6 C5 C4 C3 gd_17 6210 O5 C5 C4 C3 gd_7 6211 C6 C5 C4 O4 gd_7 6212 O5 C5 C4 O4 gd_8 6213 C3 C4 O4 +N gd_14 6214 6215[ GLCB ] 6216 [ atoms ] 6217 C1 CH1 0.40000 0 6218 O5 OA -0.36000 0 6219 C5 CH1 0.16000 0 6220 C6 CH2 0.15000 1 6221 O6 OA -0.54800 1 6222 H6 H 0.39800 1 6223 C3 CH1 0.15000 2 6224 O3 OA -0.54800 2 6225 H3 H 0.39800 2 6226 C4 CH1 0.15000 3 6227 O4 OA -0.54800 3 6228 H4 H 0.39800 3 6229 C2 CH1 0.160 4 6230 O2 OA -0.360 4 6231 [ bonds ] 6232 C1 O5 gb_19 6233 C1 C2 gb_25 6234 O5 C5 gb_19 6235 C5 C6 gb_25 6236 C5 C4 gb_25 6237 C6 O6 gb_19 6238 O6 H6 gb_1 6239 C3 O3 gb_19 6240 C3 C4 gb_25 6241 C3 C2 gb_25 6242 O3 H3 gb_1 6243 C4 O4 gb_19 6244 O4 H4 gb_1 6245 C2 O2 gb_19 6246 O2 +N gb_19 6247 [ angles ] 6248; ai aj ak gromos type 6249 -O C1 O5 ga_8 6250 -O C1 C2 ga_8 6251 O5 C1 C2 ga_8 6252 C1 O5 C5 ga_9 6253 O5 C5 C6 ga_8 6254 O5 C5 C4 ga_8 6255 C6 C5 C4 ga_7 6256 C5 C6 O6 ga_8 6257 C6 O6 H6 ga_11 6258 C4 C3 O3 ga_8 6259 C4 C3 C2 ga_7 6260 O3 C3 C2 ga_8 6261 C3 O3 H3 ga_11 6262 C5 C4 O4 ga_8 6263 C5 C4 C3 ga_7 6264 C3 C4 O4 ga_8 6265 C4 O4 H4 ga_11 6266 C1 C2 C3 ga_7 6267 C1 C2 O2 ga_8 6268 C3 C2 O2 ga_8 6269 C2 O2 +N ga_9 6270 [ impropers ] 6271; ai aj ak al gromos type 6272 C1 -O O5 C2 gi_2 6273 C5 O5 C6 C4 gi_2 6274 C3 O3 C2 C4 gi_2 6275 C4 C3 O4 C5 gi_2 6276 C2 O2 C3 C1 gi_2 6277 [ dihedrals ] 6278; ai aj ak al gromos type 6279 -C -O C1 C2 gd_14 6280 -O C1 C2 C3 gd_17 6281 -O C1 C2 C3 gd_7 6282 O5 C1 C2 C3 gd_7 6283 O5 C1 C2 O2 gd_8 6284 -O C1 C2 O2 gd_8 6285 C1 C2 C3 C4 gd_17 6286 C1 C2 C3 O3 gd_7 6287 O2 C2 C3 C4 gd_7 6288 O2 C2 C3 O3 gd_8 6289 C2 C3 O3 H3 gd_12 6290 C2 C3 C4 C5 gd_17 6291 C2 C3 C4 O4 gd_7 6292 O3 C3 C4 C5 gd_7 6293 O3 C3 C4 O4 gd_8 6294 C3 C4 O4 H4 gd_12 6295 C2 C1 O5 C5 gd_14 6296 C1 O5 C5 C4 gd_14 6297 C4 C5 C6 O6 gd_17 6298 C4 C5 C6 O6 gd_7 6299 O5 C5 C6 O6 gd_8 6300 C5 C6 O6 H6 gd_12 6301 C6 C5 C4 C3 gd_17 6302 O5 C5 C4 C3 gd_7 6303 C6 C5 C4 O4 gd_7 6304 O5 C5 C4 O4 gd_8 6305 C1 C2 O2 +N gd_14 6306 6307[ GALB ] 6308 [ atoms ] 6309 C1 CH1 0.40000 0 6310 O5 OA -0.36000 0 6311 C5 CH1 0.16000 0 6312 C6 CH2 0.15000 1 6313 O6 OA -0.54800 1 6314 H6 H 0.39800 1 6315 C2 CH1 0.15000 2 6316 O2 OA -0.54800 2 6317 H2 H 0.39800 2 6318 C4 CH1 0.15000 3 6319 O4 OA -0.54800 3 6320 H4 H 0.39800 3 6321 C3 CH1 0.160 4 6322 O3 OA -0.360 4 6323 [ bonds ] 6324 C1 O5 gb_19 6325 C1 C2 gb_25 6326 O5 C5 gb_19 6327 C5 C6 gb_25 6328 C5 C4 gb_25 6329 C6 O6 gb_19 6330 O6 H6 gb_1 6331 C2 O2 gb_19 6332 C2 C3 gb_25 6333 O2 H2 gb_1 6334 C4 O4 gb_19 6335 C4 C3 gb_25 6336 O4 H4 gb_1 6337 C3 O3 gb_19 6338 O3 +N gb_19 6339 [ angles ] 6340; ai aj ak gromos type 6341 -O C1 O5 ga_8 6342 -O C1 C2 ga_8 6343 O5 C1 C2 ga_8 6344 C1 O5 C5 ga_9 6345 O5 C5 C6 ga_8 6346 O5 C5 C4 ga_8 6347 C6 C5 C4 ga_7 6348 C5 C6 O6 ga_8 6349 C6 O6 H6 ga_11 6350 C1 C2 O2 ga_8 6351 C1 C2 C3 ga_7 6352 O2 C2 C3 ga_8 6353 C2 O2 H2 ga_11 6354 C5 C4 O4 ga_8 6355 C5 C4 C3 ga_7 6356 O4 C4 C3 ga_8 6357 C4 O4 H4 ga_11 6358 C2 C3 C4 ga_7 6359 C2 C3 O3 ga_8 6360 C4 C3 O3 ga_8 6361 C3 O3 +N ga_9 6362 [ impropers ] 6363; ai aj ak al gromos type 6364 C1 -O O5 C2 gi_2 6365 C5 O5 C6 C4 gi_2 6366 C2 O2 C3 C1 gi_2 6367 C4 O4 C3 C5 gi_2 6368 C3 O3 C2 C4 gi_2 6369 [ dihedrals ] 6370; ai aj ak al gromos type 6371 -C -O C1 C2 gd_14 6372 -O C1 C2 C3 gd_17 6373 -O C1 C2 C3 gd_7 6374 O5 C1 C2 C3 gd_7 6375 O5 C1 C2 O2 gd_8 6376 -O C1 C2 O2 gd_8 6377 C1 C2 O2 H2 gd_12 6378 C1 C2 C3 C4 gd_17 6379 C1 C2 C3 O3 gd_7 6380 O2 C2 C3 C4 gd_7 6381 O2 C2 C3 O3 gd_8 6382 C2 C3 C4 C5 gd_17 6383 C2 C3 C4 O4 gd_7 6384 O3 C3 C4 C5 gd_7 6385 O3 C3 C4 O4 gd_8 6386 C3 C4 O4 H4 gd_12 6387 C2 C1 O5 C5 gd_14 6388 C1 O5 C5 C4 gd_14 6389 C4 C5 C6 O6 gd_17 6390 C4 C5 C6 O6 gd_7 6391 O5 C5 C6 O6 gd_8 6392 C5 C6 O6 H6 gd_12 6393 C6 C5 C4 C3 gd_17 6394 O5 C5 C4 C3 gd_7 6395 C6 C5 C4 O4 gd_7 6396 O5 C5 C4 O4 gd_8 6397 C2 C3 O3 +N gd_14 6398 6399[ HEME ] 6400 [ atoms ] 6401 FE FE 0.40000 0 6402 NA NR -0.10000 0 6403 NB NR -0.10000 0 6404 NC NR -0.10000 0 6405 ND NR -0.10000 0 6406 CHA C -0.10000 1 6407 HHA HC 0.10000 1 6408 C1A C 0.00000 2 6409 C2A C 0.00000 2 6410 C3A C 0.00000 2 6411 C4A C 0.00000 2 6412 CMA CH3 0.00000 3 6413 CAA CH2 0.00000 4 6414 CBA CH2 0.00000 4 6415 CGA C 0.27000 5 6416 O1A OM -0.63500 5 6417 O2A OM -0.63500 5 6418 CHB C -0.10000 6 6419 HHB HC 0.10000 6 6420 C1B C 0.00000 7 6421 C2B C 0.00000 7 6422 C3B C 0.00000 7 6423 C4B C 0.00000 7 6424 CMB CH3 0.00000 8 6425 CAB CR1 0.00000 9 6426 CBB CH2 0.00000 9 6427 CHC C -0.10000 10 6428 HHC HC 0.10000 10 6429 C1C C 0.00000 11 6430 C2C C 0.00000 11 6431 C3C C 0.00000 11 6432 C4C C 0.00000 11 6433 CMC CH3 0.00000 12 6434 CAC CR1 0.00000 13 6435 CBC CH2 0.00000 13 6436 CHD C -0.10000 14 6437 HHD HC 0.10000 14 6438 C1D C 0.00000 15 6439 C2D C 0.00000 15 6440 C3D C 0.00000 15 6441 C4D C 0.00000 15 6442 CMD CH3 0.00000 16 6443 CAD CH2 0.00000 17 6444 CBD CH2 0.00000 17 6445 CGD C 0.27000 18 6446 O1D OM -0.63500 18 6447 O2D OM -0.63500 18 6448 [ bonds ] 6449 FE NA gb_34 6450 FE NB gb_34 6451 FE NC gb_34 6452 FE ND gb_34 6453 NA C1A gb_13 6454 NA C4A gb_13 6455 NB C1B gb_13 6456 NB C4B gb_13 6457 NC C1C gb_13 6458 NC C4C gb_13 6459 ND C1D gb_13 6460 ND C4D gb_13 6461 CHA HHA gb_3 6462 CHA C1A gb_16 6463 CHA C4D gb_16 6464 C1A C2A gb_16 6465 C2A C3A gb_16 6466 C2A CAA gb_26 6467 C3A C4A gb_16 6468 C3A CMA gb_26 6469 C4A CHB gb_16 6470 CAA CBA gb_26 6471 CBA CGA gb_26 6472 CGA O1A gb_5 6473 CGA O2A gb_5 6474 CHB HHB gb_3 6475 CHB C1B gb_16 6476 C1B C2B gb_16 6477 C2B C3B gb_16 6478 C2B CMB gb_26 6479 C3B C4B gb_16 6480 C3B CAB gb_26 6481 C4B CHC gb_16 6482 CAB CBB gb_11 6483 CHC HHC gb_3 6484 CHC C1C gb_16 6485 C1C C2C gb_16 6486 C2C C3C gb_16 6487 C2C CMC gb_26 6488 C3C C4C gb_16 6489 C3C CAC gb_26 6490 C4C CHD gb_16 6491 CAC CBC gb_11 6492 CHD HHD gb_3 6493 CHD C1D gb_16 6494 C1D C2D gb_16 6495 C2D C3D gb_16 6496 C2D CMD gb_26 6497 C3D C4D gb_16 6498 C3D CAD gb_26 6499 CAD CBD gb_26 6500 CBD CGD gb_26 6501 CGD O1D gb_5 6502 CGD O2D gb_5 6503 [ exclusions ] 6504; ai aj 6505 FE CHA 6506 FE C2A 6507 FE C3A 6508 FE CHB 6509 FE C2B 6510 FE C3B 6511 FE CHC 6512 FE C2C 6513 FE C3C 6514 FE CHD 6515 FE C2D 6516 FE C3D 6517 NA HHA 6518 NA CMA 6519 NA CAA 6520 NA HHB 6521 NA C1B 6522 NA C4B 6523 NA C1C 6524 NA C4C 6525 NA C1D 6526 NA C4D 6527 NB C1A 6528 NB C4A 6529 NB HHB 6530 NB CMB 6531 NB CAB 6532 NB HHC 6533 NB C1C 6534 NB C4C 6535 NB C1D 6536 NB C4D 6537 NC C1A 6538 NC C4A 6539 NC C1B 6540 NC C4B 6541 NC HHC 6542 NC CMC 6543 NC CAC 6544 NC HHD 6545 NC C1D 6546 NC C4D 6547 ND HHA 6548 ND C1A 6549 ND C4A 6550 ND C1B 6551 ND C4B 6552 ND C1C 6553 ND C4C 6554 ND HHD 6555 ND CMD 6556 ND CAD 6557 CHA C3A 6558 CHA C4A 6559 CHA CAA 6560 CHA C1D 6561 CHA C2D 6562 CHA CAD 6563 HHA C2A 6564 HHA C3D 6565 C1A CMA 6566 C1A CHB 6567 C1A C3D 6568 C2A CHB 6569 C3A HHB 6570 C3A C1B 6571 C4A CAA 6572 C4A C2B 6573 CMA CAA 6574 CMA CHB 6575 CHB C3B 6576 CHB C4B 6577 CHB CMB 6578 HHB C2B 6579 C1B CAB 6580 C1B CHC 6581 C2B CHC 6582 C3B HHC 6583 C3B C1C 6584 C4B CMB 6585 C4B C2C 6586 CMB CAB 6587 CAB CHC 6588 CHC C3C 6589 CHC C4C 6590 CHC CMC 6591 HHC C2C 6592 C1C CAC 6593 C1C CHD 6594 C2C CHD 6595 C3C HHD 6596 C3C C1D 6597 C4C CMC 6598 C4C C2D 6599 CMC CAC 6600 CAC CHD 6601 CHD C3D 6602 CHD C4D 6603 CHD CMD 6604 HHD C2D 6605 C1D CAD 6606 C4D CMD 6607 CMD CAD 6608 [ angles ] 6609; ai aj ak gromos type 6610 NA FE NB ga_1 6611 NB FE NC ga_1 6612 NC FE ND ga_1 6613 NA FE ND ga_1 6614 FE NA C1A ga_35 6615 FE NA C4A ga_35 6616 C1A NA C4A ga_5 6617 FE NB C1B ga_35 6618 FE NB C4B ga_35 6619 C1B NB C4B ga_5 6620 FE NC C1C ga_35 6621 FE NC C4C ga_35 6622 C1C NC C4C ga_5 6623 FE ND C1D ga_35 6624 FE ND C4D ga_35 6625 C1D ND C4D ga_5 6626 C1A CHA HHA ga_19 6627 C1A CHA C4D ga_36 6628 HHA CHA C4D ga_19 6629 NA C1A CHA ga_32 6630 NA C1A C2A ga_14 6631 CHA C1A C2A ga_37 6632 C1A C2A C3A ga_6 6633 C1A C2A CAA ga_36 6634 C3A C2A CAA ga_36 6635 C2A C3A C4A ga_6 6636 C2A C3A CMA ga_36 6637 C4A C3A CMA ga_36 6638 NA C4A C3A ga_14 6639 NA C4A CHB ga_32 6640 C3A C4A CHB ga_37 6641 C2A CAA CBA ga_14 6642 CAA CBA CGA ga_14 6643 CBA CGA O1A ga_21 6644 CBA CGA O2A ga_21 6645 O1A CGA O2A ga_37 6646 C4A CHB HHB ga_19 6647 C4A CHB C1B ga_36 6648 HHB CHB C1B ga_19 6649 NB C1B CHB ga_32 6650 NB C1B C2B ga_14 6651 CHB C1B C2B ga_37 6652 C1B C2B C3B ga_6 6653 C1B C2B CMB ga_36 6654 C3B C2B CMB ga_36 6655 C2B C3B C4B ga_6 6656 C2B C3B CAB ga_36 6657 C4B C3B CAB ga_36 6658 NB C4B C3B ga_14 6659 NB C4B CHC ga_32 6660 C3B C4B CHC ga_37 6661 C3B CAB CBB ga_36 6662 C4B CHC HHC ga_19 6663 C4B CHC C1C ga_36 6664 HHC CHC C1C ga_19 6665 NC C1C CHC ga_32 6666 NC C1C C2C ga_14 6667 CHC C1C C2C ga_37 6668 C1C C2C C3C ga_6 6669 C1C C2C CMC ga_36 6670 C3C C2C CMC ga_36 6671 C2C C3C C4C ga_6 6672 C2C C3C CAC ga_36 6673 C4C C3C CAC ga_36 6674 NC C4C C3C ga_14 6675 NC C4C CHD ga_32 6676 C3C C4C CHD ga_37 6677 C3C CAC CBC ga_36 6678 C4C CHD HHD ga_19 6679 C4C CHD C1D ga_36 6680 HHD CHD C1D ga_19 6681 ND C1D CHD ga_32 6682 ND C1D C2D ga_14 6683 CHD C1D C2D ga_37 6684 C1D C2D C3D ga_6 6685 C1D C2D CMD ga_36 6686 C3D C2D CMD ga_36 6687 C2D C3D C4D ga_6 6688 C2D C3D CAD ga_36 6689 C4D C3D CAD ga_36 6690 ND C4D CHA ga_32 6691 ND C4D C3D ga_14 6692 CHA C4D C3D ga_37 6693 C3D CAD CBD ga_14 6694 CAD CBD CGD ga_14 6695 CBD CGD O1D ga_21 6696 CBD CGD O2D ga_21 6697 O1D CGD O2D ga_37 6698 [ impropers ] 6699; ai aj ak al gromos type 6700 FE C1A C4A NA gi_3 6701 FE C1B C4B NB gi_3 6702 FE C1C C4C NC gi_3 6703 FE C1D C4D ND gi_3 6704 CHA NA C2A C1A gi_1 6705 CHB NA C3A C4A gi_1 6706 CHB NB C2B C1B gi_1 6707 CHC NB C3B C4B gi_1 6708 CHC NC C2C C1C gi_1 6709 CHD NC C3C C4C gi_1 6710 CHD ND C2D C1D gi_1 6711 CHA ND C3D C4D gi_1 6712 C2A C1A C3A CAA gi_1 6713 C3A C2A C4A CMA gi_1 6714 C2B C1B C3B CMB gi_1 6715 C3B C2B C4B CAB gi_1 6716 C2C C1C C3C CMC gi_1 6717 C3C C2C C4C CAC gi_1 6718 C2D C1D C3D CMD gi_1 6719 C3D C2D C4D CAD gi_1 6720 CBA O1A O2A CGA gi_1 6721 CBD O1D O2D CGD gi_1 6722 CHA C4D C1A HHA gi_1 6723 CHB C4A C1B HHB gi_1 6724 CHC C4B C1C HHC gi_1 6725 CHD C4C C1D HHD gi_1 6726 NA C1A C2A C3A gi_1 6727 C1A C2A C3A C4A gi_1 6728 C2A C3A C4A NA gi_1 6729 C1A NA C4A C3A gi_1 6730 C2A C1A NA C4A gi_1 6731 NB C1B C2B C3B gi_1 6732 C1B C2B C3B C4B gi_1 6733 NB C4B C3B C2B gi_1 6734 C4B NB C1B C2B gi_1 6735 C1B NB C4B C3B gi_1 6736 NC C1C C2C C3C gi_1 6737 C1C C2C C3C C4C gi_1 6738 NC C4C C3C C2C gi_1 6739 C4C NC C1C C2C gi_1 6740 C1C NC C4C C3C gi_1 6741 ND C1D C2D C3D gi_1 6742 C1D C2D C3D C4D gi_1 6743 ND C4D C3D C2D gi_1 6744 C4D ND C1D C2D gi_1 6745 C1D ND C4D C3D gi_1 6746 [ dihedrals ] 6747; ai aj ak al gromos type 6748 NA C4A CHB C1B gd_5 6749 C4A CHB C1B NB gd_5 6750 NB C4B CHC C1C gd_5 6751 C4B CHC C1C NC gd_5 6752 NC C4C CHD C1D gd_5 6753 C4C CHD C1D ND gd_5 6754 ND C4D CHA C1A gd_5 6755 C4D CHA C1A NA gd_5 6756 C1A C2A CAA CBA gd_20 6757 C2A CAA CBA CGA gd_17 6758 CAA CBA CGA O1A gd_20 6759 C2B C3B CAB CBB gd_3 6760 C2C C3C CAC CBC gd_3 6761 C2D C3D CAD CBD gd_20 6762 C3D CAD CBD CGD gd_17 6763 CAD CBD CGD O1D gd_20 6764 ND FE NA C1A 0 0 4 6765 NA FE NB C1B 0 0 4 6766 NB FE NC C1C 0 0 4 6767 NC FE ND C1D 0 0 4 6768[ CYT* ] 6769 [ atoms ] 6770 C4* CH1 0.16000 0 6771 O4* OA -0.36000 0 6772 C1* CH1 0.20000 0 6773 N1 NR -0.20000 1 6774 C6 CR1 0.20000 1 6775 C2 C 0.38000 2 6776 O2 O -0.38000 2 6777 N3 NR -0.36000 3 6778 C4 C 0.36000 3 6779 N4 NT -0.83000 4 6780 H41 H 0.41500 4 6781 H42 H 0.41500 4 6782 C5 CR1 0.00000 5 6783 C2* CH1 0.15000 6 6784 O2* OA -0.54800 6 6785 H2* H 0.39800 6 6786 C3* CH1 0.00000 7 6787 O3* OA -0.36000 8 6788 SI1 P 0.54000 8 6789 OSI OA -0.36000 8 6790 SI2 P 0.54000 8 6791 O5* OA -0.36000 8 6792 C5* CH2 0.00000 9 6793 C11 CH1 0.00000 10 6794 C111 CH3 0.00000 10 6795 C112 CH3 0.00000 10 6796 C12 CH1 0.00000 11 6797 C121 CH3 0.00000 11 6798 C122 CH3 0.00000 11 6799 C21 CH1 0.00000 12 6800 C211 CH3 0.00000 12 6801 C212 CH3 0.00000 12 6802 C22 CH1 0.00000 13 6803 C221 CH3 0.00000 13 6804 C222 CH3 0.00000 13 6805 [ bonds ] 6806 C4* O4* gb_19 6807 C4* C3* gb_25 6808 C4* C5* gb_25 6809 O4* C1* gb_19 6810 C1* N1 gb_22 6811 C1* C2* gb_25 6812 N1 C6 gb_16 6813 N1 C2 gb_16 6814 C6 C5 gb_15 6815 C2 O2 gb_4 6816 C2 N3 gb_11 6817 N3 C4 gb_11 6818 C4 N4 gb_8 6819 C4 C5 gb_15 6820 N4 H41 gb_2 6821 N4 H42 gb_2 6822 C2* O2* gb_19 6823 C2* C3* gb_25 6824 O2* H2* gb_1 6825 C3* O3* gb_19 6826 O3* SI1 gb_28 6827 SI1 OSI gb_28 6828 SI1 C11 gb_31 6829 SI1 C12 gb_31 6830 OSI SI2 gb_28 6831 SI2 O5* gb_28 6832 SI2 C21 gb_31 6833 SI2 C22 gb_31 6834 O5* C5* gb_19 6835 C11 C111 gb_26 6836 C11 C112 gb_26 6837 C12 C121 gb_26 6838 C12 C122 gb_26 6839 C21 C211 gb_26 6840 C21 C212 gb_26 6841 C22 C221 gb_26 6842 C22 C222 gb_26 6843 [ exclusions ] 6844; ai aj 6845 C1* O2 6846 C1* N3 6847 C1* C5 6848 N1 C4 6849 C6 O2 6850 C6 N3 6851 C6 N4 6852 C2 N4 6853 C2 C5 6854 O2 C4 6855 [ angles ] 6856; ai aj ak gromos type 6857 O4* C4* C3* ga_8 6858 O4* C4* C5* ga_8 6859 C3* C4* C5* ga_7 6860 C4* O4* C1* ga_9 6861 O4* C1* N1 ga_8 6862 O4* C1* C2* ga_8 6863 N1 C1* C2* ga_7 6864 C1* N1 C6 ga_26 6865 C1* N1 C2 ga_26 6866 C6 N1 C2 ga_26 6867 N1 C6 C5 ga_26 6868 N1 C2 O2 ga_26 6869 N1 C2 N3 ga_26 6870 O2 C2 N3 ga_26 6871 C2 N3 C4 ga_26 6872 N3 C4 N4 ga_26 6873 N3 C4 C5 ga_26 6874 N4 C4 C5 ga_26 6875 C4 N4 H41 ga_22 6876 C4 N4 H42 ga_22 6877 H41 N4 H42 ga_23 6878 C6 C5 C4 ga_26 6879 C1* C2* O2* ga_8 6880 C1* C2* C3* ga_7 6881 O2* C2* C3* ga_8 6882 C2* O2* H2* ga_11 6883 C4* C3* C2* ga_7 6884 C4* C3* O3* ga_8 6885 C2* C3* O3* ga_8 6886 C3* O3* SI1 ga_25 6887 O3* SI1 OSI ga_11 6888 O3* SI1 C11 ga_11 6889 O3* SI1 C12 ga_11 6890 OSI SI1 C11 ga_11 6891 OSI SI1 C12 ga_11 6892 C11 SI1 C12 ga_11 6893 SI1 OSI SI2 ga_39 6894 OSI SI2 O5* ga_11 6895 OSI SI2 C21 ga_11 6896 OSI SI2 C22 ga_11 6897 O5* SI2 C21 ga_11 6898 O5* SI2 C22 ga_11 6899 C21 SI2 C22 ga_11 6900 SI2 O5* C5* ga_25 6901 C4* C5* O5* ga_8 6902 SI1 C11 C111 ga_12 6903 SI1 C11 C112 ga_12 6904 C111 C11 C112 ga_14 6905 SI1 C12 C121 ga_12 6906 SI1 C12 C122 ga_12 6907 C121 C12 C122 ga_14 6908 SI2 C21 C211 ga_12 6909 SI2 C21 C212 ga_12 6910 C211 C21 C212 ga_14 6911 SI2 C22 C221 ga_12 6912 SI2 C22 C222 ga_12 6913 C221 C22 C222 ga_14 6914 [ impropers ] 6915; ai aj ak al gromos type 6916 C4* O4* C5* C3* gi_2 6917 C3* C2* O3* C4* gi_2 6918 C2* O2* C3* C1* gi_2 6919 C1* N1 O4* C2* gi_2 6920 N1 C6 C2 C1* gi_1 6921 C2 N1 C6 C5 gi_1 6922 C6 N1 C2 N3 gi_1 6923 N1 C6 C5 C4 gi_1 6924 N1 C2 N3 C4 gi_1 6925 C6 C5 C4 N3 gi_1 6926 C2 N3 C4 C5 gi_1 6927 C2 N3 N1 O2 gi_1 6928 C4 C5 N3 N4 gi_1 6929 N4 H41 H42 C4 gi_1 6930 C11 C112 C111 SI1 gi_2 6931 C12 C122 C121 SI1 gi_2 6932 C21 C212 C211 SI2 gi_2 6933 C22 C222 C221 SI2 gi_2 6934 [ dihedrals ] 6935; ai aj ak al gromos type 6936 O5* C5* C4* C3* gd_17 6937 O5* C5* C4* C3* gd_7 6938 O5* C5* C4* O4* gd_8 6939 C5* C4* C3* C2* gd_17 6940 C5* C4* C3* O3* gd_7 6941 O4* C4* C3* C2* gd_7 6942 O4* C4* C3* O3* gd_8 6943 C4* C3* C2* C1* gd_17 6944 O3* C3* C2* C1* gd_7 6945 C4* C3* C2* O2* gd_7 6946 O3* C3* C2* O2* gd_8 6947 C3* C2* C1* O4* gd_17 6948 C3* C2* C1* O4* gd_7 6949 O2* C2* C1* N1 gd_7 6950 O2* C2* C1* O4* gd_8 6951 C3* C4* O4* C1* gd_14 6952 C4* O4* C1* C2* gd_14 6953 O4* C1* N1 C2 gd_6 6954 N3 C4 N4 H41 gd_4 6955 C1* C2* O2* H2* gd_12 6956 C4* C3* O3* SI1 gd_14 6957 C3* O3* SI1 OSI gd_14 6958 O3* SI1 OSI SI2 gd_14 6959 SI1 OSI SI2 O5* gd_14 6960 OSI SI2 O5* C5* gd_14 6961 SI2 O5* C5* C4* gd_14 6962 O3* SI1 C11 C111 gd_17 6963 O3* SI1 C12 C121 gd_17 6964 O5* SI2 C21 C211 gd_17 6965 O5* SI2 C22 C221 gd_17 6966 6967[ MTXH ] 6968 [ atoms ] 6969 N1 NR -0.28000 0 6970 HA1 H 0.28000 0 6971 C2 C 0.00000 0 6972 NA2 NT -0.83000 1 6973 HA21 H 0.41500 1 6974 HA22 H 0.41500 1 6975 N3 NR -0.36000 2 6976 C4 C 0.36000 2 6977 NA4 NT -0.83000 3 6978 HA41 H 0.41500 3 6979 HA42 H 0.41500 3 6980 C4A C 0.00000 4 6981 N5 NR -0.36000 4 6982 C6 C 0.36000 4 6983 C7 CR1 0.36000 5 6984 N8 NR -0.36000 5 6985 C8A C 0.00000 5 6986 C9 CH2 0.00000 6 6987 N10 NE 0.00000 6 6988 CM10 CH3 0.00000 6 6989 C14 C 0.00000 7 6990 C13 CR1 0.00000 7 6991 C15 CR1 0.00000 7 6992 C12 CR1 0.00000 8 6993 C16 CR1 0.00000 8 6994 C11 C 0.00000 8 6995 C C 0.38000 9 6996 O O -0.38000 9 6997 N N -0.28000 10 6998 H H 0.28000 10 6999 CA CH1 0.00000 11 7000 CB CH2 0.00000 11 7001 CG CH2 0.00000 11 7002 CD C 0.27000 12 7003 OE1 OM -0.63500 12 7004 OE2 OM -0.63500 12 7005 CT C 0.27000 13 7006 O1 OM -0.63500 13 7007 O2 OM -0.63500 13 7008 [ bonds ] 7009 N1 HA1 gb_2 7010 N1 C2 gb_16 7011 N1 C8A gb_16 7012 C2 NA2 gb_8 7013 C2 N3 gb_11 7014 NA2 HA21 gb_2 7015 NA2 HA22 gb_2 7016 N3 C4 gb_11 7017 C4 NA4 gb_8 7018 C4 C4A gb_15 7019 NA4 HA41 gb_2 7020 NA4 HA42 gb_2 7021 C4A N5 gb_11 7022 C4A C8A gb_15 7023 N5 C6 gb_11 7024 C6 C7 gb_15 7025 C6 C9 gb_26 7026 C7 N8 gb_6 7027 N8 C8A gb_11 7028 C9 N10 gb_20 7029 N10 CM10 gb_20 7030 N10 C14 gb_10 7031 C14 C13 gb_15 7032 C14 C15 gb_15 7033 C13 C12 gb_15 7034 C15 C16 gb_15 7035 C12 C11 gb_15 7036 C16 C11 gb_15 7037 C11 C gb_26 7038 C O gb_4 7039 C N gb_9 7040 N H gb_2 7041 N CA gb_20 7042 CA CB gb_26 7043 CA CT gb_26 7044 CB CG gb_26 7045 CG CD gb_26 7046 CD OE1 gb_5 7047 CD OE2 gb_5 7048 CT O1 gb_5 7049 CT O2 gb_5 7050 [ exclusions ] 7051; ai aj 7052 N1 C4 7053 N1 N5 7054 N1 C7 7055 HA1 NA2 7056 HA1 N3 7057 HA1 C4A 7058 HA1 N8 7059 C2 NA4 7060 C2 C4A 7061 C2 N8 7062 NA2 C4 7063 NA2 C8A 7064 N3 N5 7065 N3 C8A 7066 C4 C6 7067 C4 N8 7068 NA4 N5 7069 NA4 C8A 7070 C4A C7 7071 C4A C9 7072 N5 N8 7073 C6 C8A 7074 N8 C9 7075 N10 C12 7076 N10 C16 7077 C14 C11 7078 C13 C16 7079 C13 C 7080 C15 C12 7081 C15 C 7082 [ angles ] 7083; ai aj ak gromos type 7084 HA1 N1 C2 ga_24 7085 HA1 N1 C8A ga_24 7086 C2 N1 C8A ga_26 7087 N1 C2 NA2 ga_26 7088 N1 C2 N3 ga_26 7089 NA2 C2 N3 ga_26 7090 C2 NA2 HA21 ga_22 7091 C2 NA2 HA22 ga_22 7092 HA21 NA2 HA22 ga_23 7093 C2 N3 C4 ga_26 7094 N3 C4 NA4 ga_26 7095 N3 C4 C4A ga_26 7096 NA4 C4 C4A ga_26 7097 C4 NA4 HA41 ga_22 7098 C4 NA4 HA42 ga_22 7099 HA41 NA4 HA42 ga_23 7100 C4 C4A N5 ga_26 7101 C4 C4A C8A ga_26 7102 N5 C4A C8A ga_26 7103 C4A N5 C6 ga_26 7104 N5 C6 C7 ga_26 7105 N5 C6 C9 ga_26 7106 C7 C6 C9 ga_26 7107 C6 C7 N8 ga_26 7108 C7 N8 C8A ga_26 7109 N1 C8A C4A ga_26 7110 N1 C8A N8 ga_26 7111 C4A C8A N8 ga_26 7112 C6 C9 N10 ga_14 7113 C9 N10 CM10 ga_19 7114 C9 N10 C14 ga_32 7115 CM10 N10 C14 ga_22 7116 N10 C14 C13 ga_26 7117 N10 C14 C15 ga_26 7118 C13 C14 C15 ga_26 7119 C14 C13 C12 ga_26 7120 C14 C15 C16 ga_26 7121 C13 C12 C11 ga_26 7122 C15 C16 C11 ga_26 7123 C12 C11 C16 ga_26 7124 C12 C11 C ga_26 7125 C16 C11 C ga_26 7126 C11 C O ga_29 7127 C11 C N ga_18 7128 O C N ga_32 7129 C N H ga_31 7130 C N CA ga_30 7131 H N CA ga_17 7132 N CA CB ga_12 7133 N CA CT ga_12 7134 CB CA CT ga_12 7135 CA CB CG ga_14 7136 CB CG CD ga_14 7137 CG CD OE1 ga_21 7138 CG CD OE2 ga_21 7139 OE1 CD OE2 ga_37 7140 CA CT O1 ga_21 7141 CA CT O2 ga_21 7142 O1 CT O2 ga_37 7143 [ impropers ] 7144; ai aj ak al gromos type 7145 N1 C2 C8A HA1 gi_1 7146 C2 N1 N3 NA2 gi_1 7147 NA2 HA21 HA22 C2 gi_1 7148 C4 N3 C4A NA4 gi_1 7149 NA4 HA41 HA42 C4 gi_1 7150 N1 C2 N3 C4 gi_1 7151 C2 N3 C4 C4A gi_1 7152 N3 C4 C4A C8A gi_1 7153 C4 C4A C8A N1 gi_1 7154 C4A C8A N1 C2 gi_1 7155 C8A N1 C2 N3 gi_1 7156 C4A C4 N5 C8A gi_1 7157 C8A N1 N8 C4A gi_1 7158 C4A N5 C6 C7 gi_1 7159 N5 C6 C7 N8 gi_1 7160 C6 C7 N8 C8A gi_1 7161 C7 N8 C8A C4A gi_1 7162 N8 C8A C4A N5 gi_1 7163 C8A C4A N5 C6 gi_1 7164 C6 N5 C7 C9 gi_1 7165 N10 C9 C14 CM10 gi_1 7166 C14 C13 C15 N10 gi_1 7167 C14 C13 C12 C11 gi_1 7168 C14 C15 C16 C11 gi_1 7169 C13 C14 C15 C16 gi_1 7170 C15 C14 C13 C12 gi_1 7171 C13 C12 C11 C16 gi_1 7172 C15 C16 C11 C12 gi_1 7173 C11 C12 C16 C gi_1 7174 C C11 N O gi_1 7175 N C CA H gi_1 7176 CA N CT CB gi_2 7177 CD OE1 OE2 CG gi_1 7178 CT CA O2 O1 gi_1 7179 [ dihedrals ] 7180; ai aj ak al gromos type 7181 N1 C2 NA2 HA21 gd_4 7182 C4A C4 NA4 HA41 gd_4 7183 N5 C6 C9 N10 gd_20 7184 C6 C9 N10 C14 gd_19 7185 C9 N10 C14 C13 gd_4 7186 C12 C11 C N gd_1 7187 C11 C N CA gd_4 7188 C N CA CT gd_19 7189 N CA CT O1 gd_20 7190 N CA CB CG gd_17 7191 CA CB CG CD gd_17 7192 CB CG CD OE1 gd_20 7193 7194[ FOL ] 7195 [ atoms ] 7196 N1 NR -0.36000 0 7197 C2 C 0.36000 0 7198 NA2 NT -0.83000 1 7199 HA21 H 0.41500 1 7200 HA22 H 0.41500 1 7201 N3 NR -0.28000 2 7202 HA3 H 0.28000 2 7203 C4 C 0.38000 3 7204 OA4 O -0.38000 3 7205 C4A C 0.00000 4 7206 N5 NR -0.36000 4 7207 C6 C 0.36000 4 7208 C7 CR1 0.36000 5 7209 N8 NR -0.36000 5 7210 C8A C 0.00000 5 7211 C9 CH2 0.00000 6 7212 N10 NE -0.28000 6 7213 H10 H 0.28000 6 7214 C14 C 0.00000 7 7215 C13 CR1 0.00000 7 7216 C15 CR1 0.00000 7 7217 C12 CR1 0.00000 8 7218 C16 CR1 0.00000 8 7219 C11 C 0.00000 8 7220 C C 0.38000 9 7221 O O -0.38000 9 7222 N N -0.28000 10 7223 H H 0.28000 10 7224 CA CH1 0.00000 11 7225 CB CH2 0.00000 11 7226 CG CH2 0.00000 11 7227 CD C 0.27000 12 7228 OE1 OM -0.63500 12 7229 OE2 OM -0.63500 12 7230 CT C 0.27000 13 7231 O1 OM -0.63500 13 7232 O2 OM -0.63500 13 7233 [ bonds ] 7234 N1 C2 gb_11 7235 N1 C8A gb_11 7236 C2 NA2 gb_8 7237 C2 N3 gb_16 7238 NA2 HA21 gb_2 7239 NA2 HA22 gb_2 7240 N3 HA3 gb_2 7241 N3 C4 gb_16 7242 C4 OA4 gb_4 7243 C4 C4A gb_15 7244 C4A N5 gb_11 7245 C4A C8A gb_15 7246 N5 C6 gb_11 7247 C6 C7 gb_15 7248 C6 C9 gb_26 7249 C7 N8 gb_6 7250 N8 C8A gb_11 7251 C9 N10 gb_20 7252 N10 H10 gb_2 7253 N10 C14 gb_10 7254 C14 C13 gb_15 7255 C14 C15 gb_15 7256 C13 C12 gb_15 7257 C15 C16 gb_15 7258 C12 C11 gb_15 7259 C16 C11 gb_15 7260 C11 C gb_26 7261 C O gb_4 7262 C N gb_9 7263 N H gb_2 7264 N CA gb_20 7265 CA CB gb_26 7266 CA CT gb_26 7267 CB CG gb_26 7268 CG CD gb_26 7269 CD OE1 gb_5 7270 CD OE2 gb_5 7271 CT O1 gb_5 7272 CT O2 gb_5 7273 [ exclusions ] 7274; ai aj 7275 N1 HA3 7276 N1 C4 7277 N1 N5 7278 N1 C7 7279 C2 OA4 7280 C2 C4A 7281 C2 N8 7282 NA2 HA3 7283 NA2 C4 7284 NA2 C8A 7285 N3 N5 7286 N3 C8A 7287 HA3 OA4 7288 HA3 C4A 7289 C4 C6 7290 C4 N8 7291 OA4 N5 7292 OA4 C8A 7293 C4A C7 7294 C4A C9 7295 N5 N8 7296 C6 C8A 7297 N8 C9 7298 N10 C12 7299 N10 C16 7300 C14 C11 7301 C13 C16 7302 C13 C 7303 C15 C12 7304 C15 C 7305 [ angles ] 7306; ai aj ak gromos type 7307 C2 N1 C8A ga_26 7308 N1 C2 NA2 ga_26 7309 N1 C2 N3 ga_26 7310 NA2 C2 N3 ga_26 7311 C2 NA2 HA21 ga_22 7312 C2 NA2 HA22 ga_22 7313 HA21 NA2 HA22 ga_23 7314 C2 N3 HA3 ga_24 7315 C2 N3 C4 ga_26 7316 HA3 N3 C4 ga_24 7317 N3 C4 OA4 ga_26 7318 N3 C4 C4A ga_26 7319 OA4 C4 C4A ga_26 7320 C4 C4A N5 ga_26 7321 C4 C4A C8A ga_26 7322 N5 C4A C8A ga_26 7323 C4A N5 C6 ga_26 7324 N5 C6 C7 ga_26 7325 N5 C6 C9 ga_26 7326 C7 C6 C9 ga_26 7327 C6 C7 N8 ga_26 7328 C7 N8 C8A ga_26 7329 N1 C8A C4A ga_26 7330 N1 C8A N8 ga_26 7331 C4A C8A N8 ga_26 7332 C6 C9 N10 ga_14 7333 C9 N10 H10 ga_19 7334 C9 N10 C14 ga_32 7335 H10 N10 C14 ga_22 7336 N10 C14 C13 ga_26 7337 N10 C14 C15 ga_26 7338 C13 C14 C15 ga_26 7339 C14 C13 C12 ga_26 7340 C14 C15 C16 ga_26 7341 C13 C12 C11 ga_26 7342 C15 C16 C11 ga_26 7343 C12 C11 C16 ga_26 7344 C12 C11 C ga_26 7345 C16 C11 C ga_26 7346 C11 C O ga_29 7347 C11 C N ga_18 7348 O C N ga_32 7349 C N H ga_31 7350 C N CA ga_30 7351 H N CA ga_17 7352 N CA CB ga_12 7353 N CA CT ga_12 7354 CB CA CT ga_12 7355 CA CB CG ga_14 7356 CB CG CD ga_14 7357 CG CD OE1 ga_21 7358 CG CD OE2 ga_21 7359 OE1 CD OE2 ga_37 7360 CA CT O1 ga_21 7361 CA CT O2 ga_21 7362 O1 CT O2 ga_37 7363 [ impropers ] 7364; ai aj ak al gromos type 7365 C2 N1 N3 NA2 gi_1 7366 NA2 HA21 HA22 C2 gi_1 7367 N3 C2 C4 HA3 gi_1 7368 C4 N3 C4A OA4 gi_1 7369 N1 C2 N3 C4 gi_1 7370 C2 N3 C4 C4A gi_1 7371 N3 C4 C4A C8A gi_1 7372 C4 C4A C8A N1 gi_1 7373 C4A C8A N1 C2 gi_1 7374 C8A N1 C2 N3 gi_1 7375 C4A C4 N5 C8A gi_1 7376 C8A N1 N8 C4A gi_1 7377 C4A N5 C6 C7 gi_1 7378 N5 C6 C7 N8 gi_1 7379 C6 C7 N8 C8A gi_1 7380 C7 N8 C8A C4A gi_1 7381 N8 C8A C4A N5 gi_1 7382 C8A C4A N5 C6 gi_1 7383 C6 N5 C7 C9 gi_1 7384 N10 C9 C14 H10 gi_1 7385 C14 C13 C15 N10 gi_1 7386 C14 C13 C12 C11 gi_1 7387 C14 C15 C16 C11 gi_1 7388 C13 C14 C15 C16 gi_1 7389 C15 C14 C13 C12 gi_1 7390 C13 C12 C11 C16 gi_1 7391 C15 C16 C11 C12 gi_1 7392 C11 C12 C16 C gi_1 7393 C C11 N O gi_1 7394 N C CA H gi_1 7395 CA N CT CB gi_2 7396 CD OE1 OE2 CG gi_1 7397 CT CA O2 O1 gi_1 7398 [ dihedrals ] 7399; ai aj ak al gromos type 7400 N1 C2 NA2 HA21 gd_4 7401 N5 C6 C9 N10 gd_20 7402 C6 C9 N10 C14 gd_19 7403 C9 N10 C14 C13 gd_4 7404 C12 C11 C N gd_1 7405 C11 C N CA gd_4 7406 C N CA CT gd_19 7407 N CA CT O1 gd_20 7408 N CA CB CG gd_17 7409 CA CB CG CD gd_17 7410 CB CG CD OE1 gd_20 7411 7412[ DHF ] 7413 [ atoms ] 7414 N1 NR -0.36000 0 7415 C2 C 0.36000 0 7416 NA2 NT -0.83000 1 7417 HA21 H 0.41500 1 7418 HA22 H 0.41500 1 7419 N3 NR -0.28000 2 7420 HA3 H 0.28000 2 7421 C4 C 0.38000 3 7422 OA4 O -0.38000 3 7423 C4A C 0.00000 4 7424 N5 NR -0.36000 4 7425 C6 C 0.36000 4 7426 C7 CH2 0.00000 5 7427 N8 NR -0.28000 5 7428 HA8 H 0.28000 5 7429 C8A C 0.00000 5 7430 C9 CH2 0.00000 6 7431 N10 NE -0.28000 6 7432 H10 H 0.28000 6 7433 C14 C 0.00000 7 7434 C13 CR1 0.00000 7 7435 C15 CR1 0.00000 7 7436 C12 CR1 0.00000 8 7437 C16 CR1 0.00000 8 7438 C11 C 0.00000 8 7439 C C 0.38000 9 7440 O O -0.38000 9 7441 N N -0.28000 10 7442 H H 0.28000 10 7443 CA CH1 0.00000 11 7444 CB CH2 0.00000 11 7445 CG CH2 0.00000 11 7446 CD C 0.27000 12 7447 OE1 OM -0.63500 12 7448 OE2 OM -0.63500 12 7449 CT C 0.27000 13 7450 O1 OM -0.63500 13 7451 O2 OM -0.63500 13 7452 [ bonds ] 7453 N1 C2 gb_11 7454 N1 C8A gb_11 7455 C2 NA2 gb_8 7456 C2 N3 gb_16 7457 NA2 HA21 gb_2 7458 NA2 HA22 gb_2 7459 N3 HA3 gb_2 7460 N3 C4 gb_16 7461 C4 OA4 gb_4 7462 C4 C4A gb_15 7463 C4A N5 gb_11 7464 C4A C8A gb_15 7465 N5 C6 gb_11 7466 C6 C7 gb_14 7467 C6 C9 gb_26 7468 C7 N8 gb_16 7469 N8 HA8 gb_2 7470 N8 C8A gb_16 7471 C9 N10 gb_20 7472 N10 H10 gb_2 7473 N10 C14 gb_10 7474 C14 C13 gb_15 7475 C14 C15 gb_15 7476 C13 C12 gb_15 7477 C15 C16 gb_15 7478 C12 C11 gb_15 7479 C16 C11 gb_15 7480 C11 C gb_26 7481 C O gb_4 7482 C N gb_9 7483 N H gb_2 7484 N CA gb_20 7485 CA CB gb_26 7486 CA CT gb_26 7487 CB CG gb_26 7488 CG CD gb_26 7489 CD OE1 gb_5 7490 CD OE2 gb_5 7491 CT O1 gb_5 7492 CT O2 gb_5 7493 [ exclusions ] 7494; ai aj 7495 N1 HA3 7496 N1 C4 7497 N1 N5 7498 N1 C7 7499 N1 HA8 7500 C2 OA4 7501 C2 C4A 7502 C2 N8 7503 NA2 HA3 7504 NA2 C4 7505 NA2 C8A 7506 N3 N5 7507 N3 C8A 7508 HA3 OA4 7509 HA3 C4A 7510 C4 C6 7511 C4 N8 7512 OA4 N5 7513 OA4 C8A 7514 C4A C7 7515 C4A HA8 7516 C4A C9 7517 N5 N8 7518 C6 HA8 7519 C6 C8A 7520 N8 C9 7521 N10 C12 7522 N10 C16 7523 C14 C11 7524 C13 C16 7525 C13 C 7526 C15 C12 7527 C15 C 7528 [ angles ] 7529; ai aj ak gromos type 7530 C2 N1 C8A ga_26 7531 N1 C2 NA2 ga_26 7532 N1 C2 N3 ga_26 7533 NA2 C2 N3 ga_26 7534 C2 NA2 HA21 ga_22 7535 C2 NA2 HA22 ga_22 7536 HA21 NA2 HA22 ga_23 7537 C2 N3 HA3 ga_24 7538 C2 N3 C4 ga_26 7539 HA3 N3 C4 ga_24 7540 N3 C4 OA4 ga_26 7541 N3 C4 C4A ga_26 7542 OA4 C4 C4A ga_26 7543 C4 C4A N5 ga_26 7544 C4 C4A C8A ga_26 7545 N5 C4A C8A ga_26 7546 C4A N5 C6 ga_26 7547 N5 C6 C7 ga_26 7548 N5 C6 C9 ga_26 7549 C7 C6 C9 ga_26 7550 C6 C7 N8 ga_26 7551 C7 N8 HA8 ga_24 7552 C7 N8 C8A ga_26 7553 HA8 N8 C8A ga_24 7554 N1 C8A C4A ga_26 7555 N1 C8A N8 ga_26 7556 C4A C8A N8 ga_26 7557 C6 C9 N10 ga_14 7558 C9 N10 H10 ga_19 7559 C9 N10 C14 ga_32 7560 H10 N10 C14 ga_22 7561 N10 C14 C13 ga_26 7562 N10 C14 C15 ga_26 7563 C13 C14 C15 ga_26 7564 C14 C13 C12 ga_26 7565 C14 C15 C16 ga_26 7566 C13 C12 C11 ga_26 7567 C15 C16 C11 ga_26 7568 C12 C11 C16 ga_26 7569 C12 C11 C ga_26 7570 C16 C11 C ga_26 7571 C11 C O ga_29 7572 C11 C N ga_18 7573 O C N ga_32 7574 C N H ga_31 7575 C N CA ga_30 7576 H N CA ga_17 7577 N CA CB ga_12 7578 N CA CT ga_12 7579 CB CA CT ga_12 7580 CA CB CG ga_14 7581 CB CG CD ga_14 7582 CG CD OE1 ga_21 7583 CG CD OE2 ga_21 7584 OE1 CD OE2 ga_37 7585 CA CT O1 ga_21 7586 CA CT O2 ga_21 7587 O1 CT O2 ga_37 7588 [ impropers ] 7589; ai aj ak al gromos type 7590 C2 N1 N3 NA2 gi_1 7591 NA2 HA21 HA22 C2 gi_1 7592 N3 C2 C4 HA3 gi_1 7593 C4 N3 C4A OA4 gi_1 7594 N1 C2 N3 C4 gi_1 7595 C2 N3 C4 C4A gi_1 7596 N3 C4 C4A C8A gi_1 7597 C4 C4A C8A N1 gi_1 7598 C4A C8A N1 C2 gi_1 7599 C8A N1 C2 N3 gi_1 7600 C4A C4 N5 C8A gi_1 7601 C8A N1 N8 C4A gi_1 7602 C4A N5 C6 C7 gi_1 7603 N5 C6 C7 N8 gi_1 7604 C6 C7 N8 C8A gi_1 7605 C7 N8 C8A C4A gi_1 7606 N8 C8A C4A N5 gi_1 7607 C8A C4A N5 C6 gi_1 7608 N8 C7 C8A HA8 gi_1 7609 C6 N5 C7 C9 gi_1 7610 N10 C9 C14 H10 gi_1 7611 C14 C13 C15 N10 gi_1 7612 C14 C13 C12 C11 gi_1 7613 C14 C15 C16 C11 gi_1 7614 C13 C14 C15 C16 gi_1 7615 C15 C14 C13 C12 gi_1 7616 C13 C12 C11 C16 gi_1 7617 C15 C16 C11 C12 gi_1 7618 C11 C12 C16 C gi_1 7619 C C11 N O gi_1 7620 N C CA H gi_1 7621 CA N CT CB gi_2 7622 CD OE1 OE2 CG gi_1 7623 CT CA O2 O1 gi_1 7624 [ dihedrals ] 7625; ai aj ak al gromos type 7626 N1 C2 NA2 HA21 gd_4 7627 N5 C6 C9 N10 gd_20 7628 C6 C9 N10 C14 gd_19 7629 C9 N10 C14 C13 gd_4 7630 C12 C11 C N gd_1 7631 C11 C N CA gd_4 7632 C N CA CT gd_19 7633 N CA CT O1 gd_20 7634 N CA CB CG gd_17 7635 CA CB CG CD gd_17 7636 CB CG CD OE1 gd_20 7637 7638[ THF ] 7639 [ atoms ] 7640 N1 NR -0.36000 0 7641 C2 C 0.36000 0 7642 NA2 NT -0.83000 1 7643 HA21 H 0.41500 1 7644 HA22 H 0.41500 1 7645 N3 NR -0.28000 2 7646 HA3 H 0.28000 2 7647 C4 C 0.38000 3 7648 OA4 O -0.38000 3 7649 C4A C 0.00000 4 7650 N5 NR -0.28000 4 7651 HA5 H 0.28000 4 7652 C6 CH1 0.00000 4 7653 C7 CH2 0.00000 5 7654 N8 NR -0.28000 5 7655 HA8 H 0.28000 5 7656 C8A C 0.00000 5 7657 C9 CH2 0.00000 6 7658 N10 NE -0.28000 6 7659 H10 H 0.28000 6 7660 C14 C 0.00000 7 7661 C13 CR1 0.00000 7 7662 C15 CR1 0.00000 7 7663 C12 CR1 0.00000 8 7664 C16 CR1 0.00000 8 7665 C11 C 0.00000 8 7666 C C 0.38000 9 7667 O O -0.38000 9 7668 N N -0.28000 10 7669 H H 0.28000 10 7670 CA CH1 0.00000 11 7671 CB CH2 0.00000 11 7672 CG CH2 0.00000 11 7673 CD C 0.27000 12 7674 OE1 OM -0.63500 12 7675 OE2 OM -0.63500 12 7676 CT C 0.27000 13 7677 O1 OM -0.63500 13 7678 O2 OM -0.63500 13 7679 [ bonds ] 7680 N1 C2 gb_11 7681 N1 C8A gb_11 7682 C2 NA2 gb_8 7683 C2 N3 gb_16 7684 NA2 HA21 gb_2 7685 NA2 HA22 gb_2 7686 N3 HA3 gb_2 7687 N3 C4 gb_16 7688 C4 OA4 gb_4 7689 C4 C4A gb_15 7690 C4A N5 gb_16 7691 C4A C8A gb_15 7692 N5 HA5 gb_2 7693 N5 C6 gb_22 7694 C6 C7 gb_25 7695 C6 C9 gb_26 7696 C7 N8 gb_22 7697 N8 HA8 gb_2 7698 N8 C8A gb_16 7699 C9 N10 gb_20 7700 N10 H10 gb_2 7701 N10 C14 gb_10 7702 C14 C13 gb_15 7703 C14 C15 gb_15 7704 C13 C12 gb_15 7705 C15 C16 gb_15 7706 C12 C11 gb_15 7707 C16 C11 gb_15 7708 C11 C gb_26 7709 C O gb_4 7710 C N gb_9 7711 N H gb_2 7712 N CA gb_20 7713 CA CB gb_26 7714 CA CT gb_26 7715 CB CG gb_26 7716 CG CD gb_26 7717 CD OE1 gb_5 7718 CD OE2 gb_5 7719 CT O1 gb_5 7720 CT O2 gb_5 7721 [ exclusions ] 7722; ai aj 7723 N1 HA3 7724 N1 C4 7725 N1 N5 7726 C2 OA4 7727 C2 C4A 7728 C2 N8 7729 NA2 HA3 7730 NA2 C4 7731 NA2 C8A 7732 N3 N5 7733 N3 C8A 7734 HA3 OA4 7735 HA3 C4A 7736 C4 N8 7737 OA4 N5 7738 OA4 C8A 7739 N10 C12 7740 N10 C16 7741 C14 C11 7742 C13 C16 7743 C13 C 7744 C15 C12 7745 C15 C 7746 [ angles ] 7747; ai aj ak gromos type 7748 C2 N1 C8A ga_26 7749 N1 C2 NA2 ga_26 7750 N1 C2 N3 ga_26 7751 NA2 C2 N3 ga_26 7752 C2 NA2 HA21 ga_22 7753 C2 NA2 HA22 ga_22 7754 HA21 NA2 HA22 ga_23 7755 C2 N3 HA3 ga_24 7756 C2 N3 C4 ga_26 7757 HA3 N3 C4 ga_24 7758 N3 C4 OA4 ga_26 7759 N3 C4 C4A ga_26 7760 OA4 C4 C4A ga_26 7761 C4 C4A N5 ga_26 7762 C4 C4A C8A ga_26 7763 N5 C4A C8A ga_26 7764 C4A N5 HA5 ga_24 7765 C4A N5 C6 ga_26 7766 HA5 N5 C6 ga_24 7767 N5 C6 C7 ga_7 7768 N5 C6 C9 ga_7 7769 C7 C6 C9 ga_7 7770 C6 C7 N8 ga_7 7771 C7 N8 HA8 ga_24 7772 C7 N8 C8A ga_26 7773 HA8 N8 C8A ga_24 7774 N1 C8A C4A ga_26 7775 N1 C8A N8 ga_26 7776 C4A C8A N8 ga_26 7777 C6 C9 N10 ga_14 7778 C9 N10 H10 ga_19 7779 C9 N10 C14 ga_32 7780 H10 N10 C14 ga_22 7781 N10 C14 C13 ga_26 7782 N10 C14 C15 ga_26 7783 C13 C14 C15 ga_26 7784 C14 C13 C12 ga_26 7785 C14 C15 C16 ga_26 7786 C13 C12 C11 ga_26 7787 C15 C16 C11 ga_26 7788 C12 C11 C16 ga_26 7789 C12 C11 C ga_26 7790 C16 C11 C ga_26 7791 C11 C O ga_29 7792 C11 C N ga_18 7793 O C N ga_32 7794 C N H ga_31 7795 C N CA ga_30 7796 H N CA ga_17 7797 N CA CB ga_12 7798 N CA CT ga_12 7799 CB CA CT ga_12 7800 CA CB CG ga_14 7801 CB CG CD ga_14 7802 CG CD OE1 ga_21 7803 CG CD OE2 ga_21 7804 OE1 CD OE2 ga_37 7805 CA CT O1 ga_21 7806 CA CT O2 ga_21 7807 O1 CT O2 ga_37 7808 [ impropers ] 7809; ai aj ak al gromos type 7810 C2 N1 N3 NA2 gi_1 7811 NA2 HA21 HA22 C2 gi_1 7812 N3 C2 C4 HA3 gi_1 7813 C4 N3 C4A OA4 gi_1 7814 N1 C2 N3 C4 gi_1 7815 C2 N3 C4 C4A gi_1 7816 N3 C4 C4A C8A gi_1 7817 C4 C4A C8A N1 gi_1 7818 C4A C8A N1 C2 gi_1 7819 C8A N1 C2 N3 gi_1 7820 C4A C4 N5 C8A gi_1 7821 C8A N1 N8 C4A gi_1 7822 C4A N5 C6 C7 gi_1 7823 N5 C6 C7 N8 gi_1 7824 C6 C7 N8 C8A gi_1 7825 C7 N8 C8A C4A gi_1 7826 N8 C8A C4A N5 gi_1 7827 C8A C4A N5 C6 gi_1 7828 N5 C4A C6 HA5 gi_1 7829 N8 C7 C8A HA8 gi_1 7830 C6 N5 C7 C9 gi_1 7831 N10 C9 C14 H10 gi_1 7832 C14 C13 C15 N10 gi_1 7833 C14 C13 C12 C11 gi_1 7834 C14 C15 C16 C11 gi_1 7835 C13 C14 C15 C16 gi_1 7836 C15 C14 C13 C12 gi_1 7837 C13 C12 C11 C16 gi_1 7838 C15 C16 C11 C12 gi_1 7839 C11 C12 C16 C gi_1 7840 C C11 N O gi_1 7841 N C CA H gi_1 7842 CA N CT CB gi_2 7843 CD OE1 OE2 CG gi_1 7844 CT CA O2 O1 gi_1 7845 [ dihedrals ] 7846; ai aj ak al gromos type 7847 N1 C2 NA2 HA21 gd_4 7848 N5 C6 C9 N10 gd_20 7849 C6 C9 N10 C14 gd_19 7850 C9 N10 C14 C13 gd_4 7851 C12 C11 C N gd_1 7852 C11 C N CA gd_4 7853 C N CA CT gd_19 7854 N CA CT O1 gd_20 7855 N CA CB CG gd_17 7856 CA CB CG CD gd_17 7857 CB CG CD OE1 gd_20 7858 7859[ TMP ] 7860 [ atoms ] 7861 N1 NR -0.36000 0 7862 C2 C 0.36000 0 7863 NA2 NT -0.83000 1 7864 HA21 H 0.41500 1 7865 HA22 H 0.41500 1 7866 N3 NR -0.36000 2 7867 C4 C 0.36000 2 7868 NA4 NT -0.83000 3 7869 HA41 H 0.41500 3 7870 HA42 H 0.41500 3 7871 C5 C 0.00000 4 7872 C6 CR1 0.00000 4 7873 C7 CH2 0.00000 4 7874 C11 C 0.00000 5 7875 C12 CR1 0.00000 5 7876 C16 CR1 0.00000 5 7877 C13 C 0.18000 6 7878 O13 OA -0.36000 6 7879 CM13 CH3 0.18000 6 7880 C15 C 0.18000 7 7881 O15 OA -0.36000 7 7882 CM15 CH3 0.18000 7 7883 C14 C 0.18000 8 7884 O14 OA -0.36000 8 7885 CM14 CH3 0.18000 8 7886 [ bonds ] 7887 N1 C2 gb_11 7888 N1 C6 gb_6 7889 C2 NA2 gb_8 7890 C2 N3 gb_11 7891 NA2 HA21 gb_2 7892 NA2 HA22 gb_2 7893 N3 C4 gb_11 7894 C4 NA4 gb_8 7895 C4 C5 gb_15 7896 NA4 HA41 gb_2 7897 NA4 HA42 gb_2 7898 C5 C6 gb_15 7899 C5 C7 gb_26 7900 C7 C11 gb_26 7901 C11 C12 gb_15 7902 C11 C16 gb_15 7903 C12 C13 gb_15 7904 C16 C15 gb_15 7905 C13 O13 gb_12 7906 C13 C14 gb_15 7907 O13 CM13 gb_17 7908 C15 O15 gb_12 7909 C15 C14 gb_15 7910 O15 CM15 gb_17 7911 C14 O14 gb_12 7912 O14 CM14 gb_17 7913 [ exclusions ] 7914; ai aj 7915 N1 C4 7916 N1 C7 7917 C2 NA4 7918 C2 C5 7919 NA2 C4 7920 NA2 C6 7921 N3 C6 7922 N3 C7 7923 C7 C13 7924 C7 C15 7925 C11 O13 7926 C11 O15 7927 C11 C14 7928 C12 C15 7929 C12 O14 7930 C16 C13 7931 C16 O14 7932 C13 O15 7933 O13 C15 7934 O13 O14 7935 O15 O14 7936 [ angles ] 7937; ai aj ak gromos type 7938 C2 N1 C6 ga_26 7939 N1 C2 NA2 ga_26 7940 N1 C2 N3 ga_26 7941 NA2 C2 N3 ga_26 7942 C2 NA2 HA21 ga_22 7943 C2 NA2 HA22 ga_22 7944 HA21 NA2 HA22 ga_23 7945 C2 N3 C4 ga_26 7946 N3 C4 NA4 ga_26 7947 N3 C4 C5 ga_26 7948 NA4 C4 C5 ga_26 7949 C4 NA4 HA41 ga_22 7950 C4 NA4 HA42 ga_22 7951 HA41 NA4 HA42 ga_23 7952 C4 C5 C6 ga_26 7953 C4 C5 C7 ga_26 7954 C6 C5 C7 ga_26 7955 N1 C6 C5 ga_26 7956 C5 C7 C11 ga_14 7957 C7 C11 C12 ga_26 7958 C7 C11 C16 ga_26 7959 C12 C11 C16 ga_26 7960 C11 C12 C13 ga_26 7961 C11 C16 C15 ga_26 7962 C12 C13 O13 ga_26 7963 C12 C13 C14 ga_26 7964 O13 C13 C14 ga_26 7965 C13 O13 CM13 ga_19 7966 C16 C15 O15 ga_26 7967 C16 C15 C14 ga_26 7968 O15 C15 C14 ga_26 7969 C15 O15 CM15 ga_19 7970 C13 C14 C15 ga_26 7971 C13 C14 O14 ga_26 7972 C15 C14 O14 ga_26 7973 C14 O14 CM14 ga_19 7974 [ impropers ] 7975; ai aj ak al gromos type 7976 C2 N1 N3 NA2 gi_1 7977 NA2 HA21 HA22 C2 gi_1 7978 C4 N3 C5 NA4 gi_1 7979 NA4 HA41 HA42 C4 gi_1 7980 N1 C2 N3 C4 gi_1 7981 C2 N3 C4 C5 gi_1 7982 N3 C4 C5 C6 gi_1 7983 C4 C5 C6 N1 gi_1 7984 C5 C6 N1 C2 gi_1 7985 C6 N1 C2 N3 gi_1 7986 C5 C4 C6 C7 gi_1 7987 C11 C12 C16 C7 gi_1 7988 C11 C12 C13 C14 gi_1 7989 C11 C16 C15 C14 gi_1 7990 C12 C13 C14 C15 gi_1 7991 C12 C11 C16 C15 gi_1 7992 C16 C15 C14 C13 gi_1 7993 C16 C11 C12 C13 gi_1 7994 C13 C12 O13 C14 gi_1 7995 C15 C16 O15 C14 gi_1 7996 C14 C13 O14 C15 gi_1 7997 [ dihedrals ] 7998; ai aj ak al gromos type 7999 N1 C2 NA2 HA21 gd_4 8000 C5 C4 NA4 HA41 gd_4 8001 C4 C5 C7 C11 gd_20 8002 C5 C7 C11 C12 gd_20 8003 C12 C13 O13 CM13 gd_2 8004 C12 C13 O13 CM13 gd_3 8005 C16 C15 O15 CM15 gd_2 8006 C16 C15 O15 CM15 gd_3 8007 C13 C14 O14 CM14 gd_2 8008 8009[ TMPH ] 8010 [ atoms ] 8011 N1 NR -0.28000 0 8012 HA1 H 0.28000 0 8013 C2 C 0.00000 0 8014 NA2 NT -0.83000 1 8015 HA21 H 0.41500 1 8016 HA22 H 0.41500 1 8017 N3 NR -0.36000 2 8018 C4 C 0.36000 2 8019 NA4 NT -0.83000 3 8020 HA41 H 0.41500 3 8021 HA42 H 0.41500 3 8022 C5 C 0.00000 4 8023 C6 CR1 0.00000 4 8024 C7 CH2 0.00000 4 8025 C11 C 0.00000 5 8026 C12 CR1 0.00000 5 8027 C16 CR1 0.00000 5 8028 C13 C 0.18000 6 8029 O13 OA -0.36000 6 8030 CM13 CH3 0.18000 6 8031 C15 C 0.18000 7 8032 O15 OA -0.36000 7 8033 CM15 CH3 0.18000 7 8034 C14 C 0.18000 8 8035 O14 OA -0.36000 8 8036 CM14 CH3 0.18000 8 8037 [ bonds ] 8038 N1 HA1 gb_2 8039 N1 C2 gb_16 8040 N1 C6 gb_16 8041 C2 NA2 gb_8 8042 C2 N3 gb_11 8043 NA2 HA21 gb_2 8044 NA2 HA22 gb_2 8045 N3 C4 gb_11 8046 C4 NA4 gb_8 8047 C4 C5 gb_15 8048 NA4 HA41 gb_2 8049 NA4 HA42 gb_2 8050 C5 C6 gb_15 8051 C5 C7 gb_26 8052 C7 C11 gb_26 8053 C11 C12 gb_15 8054 C11 C16 gb_15 8055 C12 C13 gb_15 8056 C16 C15 gb_15 8057 C13 O13 gb_12 8058 C13 C14 gb_15 8059 O13 CM13 gb_17 8060 C15 O15 gb_12 8061 C15 C14 gb_15 8062 O15 CM15 gb_17 8063 C14 O14 gb_12 8064 O14 CM14 gb_17 8065 [ exclusions ] 8066; ai aj 8067 N1 C4 8068 N1 C7 8069 HA1 NA2 8070 HA1 N3 8071 HA1 C5 8072 C2 NA4 8073 C2 C5 8074 NA2 C4 8075 NA2 C6 8076 N3 C6 8077 N3 C7 8078 NA4 C6 8079 NA4 C7 8080 C7 C13 8081 C7 C15 8082 C11 O13 8083 C11 O15 8084 C11 C14 8085 C12 C15 8086 C12 O14 8087 C16 C13 8088 C16 O14 8089 C13 O15 8090 O13 C15 8091 O13 O14 8092 O15 O14 8093 [ angles ] 8094; ai aj ak gromos type 8095 HA1 N1 C2 ga_24 8096 HA1 N1 C6 ga_24 8097 C2 N1 C6 ga_26 8098 N1 C2 NA2 ga_26 8099 N1 C2 N3 ga_26 8100 NA2 C2 N3 ga_26 8101 C2 NA2 HA21 ga_22 8102 C2 NA2 HA22 ga_22 8103 HA21 NA2 HA22 ga_23 8104 C2 N3 C4 ga_26 8105 N3 C4 NA4 ga_26 8106 N3 C4 C5 ga_26 8107 NA4 C4 C5 ga_26 8108 C4 NA4 HA41 ga_22 8109 C4 NA4 HA42 ga_22 8110 HA41 NA4 HA42 ga_23 8111 C4 C5 C6 ga_26 8112 C4 C5 C7 ga_26 8113 C6 C5 C7 ga_26 8114 N1 C6 C5 ga_26 8115 C5 C7 C11 ga_14 8116 C7 C11 C12 ga_26 8117 C7 C11 C16 ga_26 8118 C12 C11 C16 ga_26 8119 C11 C12 C13 ga_26 8120 C11 C16 C15 ga_26 8121 C12 C13 O13 ga_26 8122 C12 C13 C14 ga_26 8123 O13 C13 C14 ga_26 8124 C13 O13 CM13 ga_19 8125 C16 C15 O15 ga_26 8126 C16 C15 C14 ga_26 8127 O15 C15 C14 ga_26 8128 C15 O15 CM15 ga_19 8129 C13 C14 C15 ga_26 8130 C13 C14 O14 ga_26 8131 C15 C14 O14 ga_26 8132 C14 O14 CM14 ga_19 8133 [ impropers ] 8134; ai aj ak al gromos type 8135 N1 C2 C6 HA1 gi_1 8136 C2 N1 N3 NA2 gi_1 8137 NA2 HA21 HA22 C2 gi_1 8138 C4 N3 C5 NA4 gi_1 8139 NA4 HA41 HA42 C4 gi_1 8140 N1 C2 N3 C4 gi_1 8141 C2 N3 C4 C5 gi_1 8142 N3 C4 C5 C6 gi_1 8143 C4 C5 C6 N1 gi_1 8144 C5 C6 N1 C2 gi_1 8145 C6 N1 C2 N3 gi_1 8146 C5 C4 C6 C7 gi_1 8147 C11 C12 C16 C7 gi_1 8148 C11 C12 C13 C14 gi_1 8149 C11 C16 C15 C14 gi_1 8150 C12 C13 C14 C15 gi_1 8151 C12 C11 C16 C15 gi_1 8152 C16 C15 C14 C13 gi_1 8153 C16 C11 C12 C13 gi_1 8154 C13 C12 O13 C14 gi_1 8155 C15 C16 O15 C14 gi_1 8156 C14 C13 O14 C15 gi_1 8157 [ dihedrals ] 8158; ai aj ak al gromos type 8159 N1 C2 NA2 HA21 gd_4 8160 C5 C4 NA4 HA41 gd_4 8161 C4 C5 C7 C11 gd_20 8162 C5 C7 C11 C12 gd_20 8163 C12 C13 O13 CM13 gd_2 8164 C12 C13 O13 CM13 gd_3 8165 C16 C15 O15 CM15 gd_2 8166 C16 C15 O15 CM15 gd_3 8167 C13 C14 O14 CM14 gd_2 8168 8169[ TMPHP ] 8170 [ atoms ] 8171 N1 NR -0.36000 0 8172 HA1 H 0.36000 0 8173 C2 C 0.60000 0 8174 NA2 NT -0.73000 1 8175 HA21 H 0.41500 1 8176 HA22 H 0.41500 1 8177 N3 NR -0.36000 2 8178 C4 C 0.36000 2 8179 NA4 NT -0.83000 3 8180 HA41 H 0.41500 3 8181 HA42 H 0.41500 3 8182 C5 C 0.10000 4 8183 C6 CR1 0.20000 4 8184 C7 CH2 0.00000 4 8185 C11 C 0.00000 5 8186 C12 CR1 0.00000 5 8187 C16 CR1 0.00000 5 8188 C13 C 0.18000 6 8189 O13 OA -0.36000 6 8190 CM13 CH3 0.18000 6 8191 C15 C 0.18000 7 8192 O15 OA -0.36000 7 8193 CM15 CH3 0.18000 7 8194 C14 C 0.18000 8 8195 O14 OA -0.36000 8 8196 CM14 CH3 0.18000 8 8197 [ bonds ] 8198 N1 HA1 gb_2 8199 N1 C2 gb_16 8200 N1 C6 gb_16 8201 C2 NA2 gb_8 8202 C2 N3 gb_11 8203 NA2 HA21 gb_2 8204 NA2 HA22 gb_2 8205 N3 C4 gb_11 8206 C4 NA4 gb_8 8207 C4 C5 gb_15 8208 NA4 HA41 gb_2 8209 NA4 HA42 gb_2 8210 C5 C6 gb_15 8211 C5 C7 gb_26 8212 C7 C11 gb_26 8213 C11 C12 gb_15 8214 C11 C16 gb_15 8215 C12 C13 gb_15 8216 C16 C15 gb_15 8217 C13 O13 gb_12 8218 C13 C14 gb_15 8219 O13 CM13 gb_1 8220 C15 O15 gb_12 8221 C15 C14 gb_15 8222 O15 CM15 gb_1 8223 C14 O14 gb_12 8224 O14 CM14 gb_1 8225 [ exclusions ] 8226; ai aj 8227 N1 C4 8228 N1 C7 8229 HA1 NA2 8230 HA1 N3 8231 HA1 C5 8232 C2 NA4 8233 C2 C5 8234 NA2 C4 8235 NA2 C6 8236 N3 C6 8237 N3 C7 8238 NA4 C6 8239 NA4 C7 8240 C7 C13 8241 C7 C15 8242 C11 O13 8243 C11 O15 8244 C11 C14 8245 C12 C15 8246 C12 O14 8247 C16 C13 8248 C16 O14 8249 C13 O15 8250 O13 C15 8251 O13 O14 8252 O15 O14 8253 [ angles ] 8254; ai aj ak gromos type 8255 HA1 N1 C2 ga_24 8256 HA1 N1 C6 ga_24 8257 C2 N1 C6 ga_26 8258 N1 C2 NA2 ga_26 8259 N1 C2 N3 ga_26 8260 NA2 C2 N3 ga_26 8261 C2 NA2 HA21 ga_22 8262 C2 NA2 HA22 ga_22 8263 HA21 NA2 HA22 ga_23 8264 C2 N3 C4 ga_26 8265 N3 C4 NA4 ga_26 8266 N3 C4 C5 ga_26 8267 NA4 C4 C5 ga_26 8268 C4 NA4 HA41 ga_22 8269 C4 NA4 HA42 ga_22 8270 HA41 NA4 HA42 ga_23 8271 C4 C5 C6 ga_26 8272 C4 C5 C7 ga_26 8273 C6 C5 C7 ga_26 8274 N1 C6 C5 ga_26 8275 C5 C7 C11 ga_14 8276 C7 C11 C12 ga_26 8277 C7 C11 C16 ga_26 8278 C12 C11 C16 ga_26 8279 C11 C12 C13 ga_26 8280 C11 C16 C15 ga_26 8281 C12 C13 O13 ga_26 8282 C12 C13 C14 ga_26 8283 O13 C13 C14 ga_26 8284 C13 O13 CM13 ga_19 8285 C16 C15 O15 ga_26 8286 C16 C15 C14 ga_26 8287 O15 C15 C14 ga_26 8288 C15 O15 CM15 ga_19 8289 C13 C14 C15 ga_26 8290 C13 C14 O14 ga_26 8291 C15 C14 O14 ga_26 8292 C14 O14 CM14 ga_19 8293 [ impropers ] 8294; ai aj ak al gromos type 8295 N1 C2 C6 HA1 gi_1 8296 C2 N1 N3 NA2 gi_1 8297 NA2 HA21 HA22 C2 gi_1 8298 C4 N3 C5 NA4 gi_1 8299 NA4 HA41 HA42 C4 gi_1 8300 N1 C2 N3 C4 gi_1 8301 C2 N3 C4 C5 gi_1 8302 N3 C4 C5 C6 gi_1 8303 C4 C5 C6 N1 gi_1 8304 C5 C6 N1 C2 gi_1 8305 C6 N1 C2 N3 gi_1 8306 C5 C4 C6 C7 gi_1 8307 C11 C12 C16 C7 gi_1 8308 C11 C12 C13 C14 gi_1 8309 C11 C16 C15 C14 gi_1 8310 C12 C13 C14 C15 gi_1 8311 C12 C11 C16 C15 gi_1 8312 C16 C15 C14 C13 gi_1 8313 C16 C11 C12 C13 gi_1 8314 C13 C12 O13 C14 gi_1 8315 C15 C16 O15 C14 gi_1 8316 C14 C13 O14 C15 gi_1 8317 [ dihedrals ] 8318; ai aj ak al gromos type 8319 N1 C2 NA2 HA21 gd_4 8320 C5 C4 NA4 HA41 gd_4 8321 C4 C5 C7 C11 gd_20 8322 C5 C7 C11 C12 gd_20 8323 C12 C13 O13 CM13 gd_2 8324 C12 C13 O13 CM13 gd_3 8325 C16 C15 O15 CM15 gd_2 8326 C16 C15 O15 CM15 gd_3 8327 C13 C14 O14 CM14 gd_2 8328 8329[ PDG ] 8330 [ atoms ] 8331 P P 0.63000 0 8332 O1P OM -0.63500 0 8333 O2P OM -0.63500 0 8334 O3P OA -0.54800 0 8335 H3P H 0.39800 0 8336 O4P OA -0.36000 0 8337 C1 CH2 0.15000 0 8338 C2 CH1 0.15000 1 8339 O2 OA -0.54800 1 8340 H2 H 0.39800 1 8341 C3 C 0.27000 2 8342 OT1 OM -0.63500 2 8343 OT2 OM -0.63500 2 8344 [ bonds ] 8345 P O1P gb_23 8346 P O2P gb_23 8347 P O3P gb_27 8348 P O4P gb_27 8349 O3P H3P gb_1 8350 O4P C1 gb_17 8351 C1 C2 gb_26 8352 C2 O2 gb_17 8353 C2 C3 gb_26 8354 O2 H2 gb_1 8355 C3 OT1 gb_5 8356 C3 OT2 gb_5 8357 [ exclusions ] 8358; ai aj 8359 O1P H3P 8360 O2P H3P 8361 H3P O4P 8362 [ angles ] 8363; ai aj ak gromos type 8364 O1P P O2P ga_28 8365 O1P P O3P ga_13 8366 O1P P O4P ga_13 8367 O2P P O3P ga_13 8368 O2P P O4P ga_13 8369 O3P P O4P ga_4 8370 P O3P H3P ga_11 8371 P O4P C1 ga_25 8372 O4P C1 C2 ga_14 8373 C1 C2 O2 ga_14 8374 C1 C2 C3 ga_12 8375 O2 C2 C3 ga_12 8376 C2 O2 H2 ga_11 8377 C2 C3 OT1 ga_21 8378 C2 C3 OT2 ga_21 8379 OT1 C3 OT2 ga_37 8380 [ impropers ] 8381; ai aj ak al gromos type 8382 C2 C1 C3 O2 gi_2 8383 C3 C2 OT2 OT1 gi_1 8384 [ dihedrals ] 8385; ai aj ak al gromos type 8386 O4P P O3P H3P gd_11 8387 O4P P O3P H3P gd_9 8388 O3P P O4P C1 gd_11 8389 O3P P O4P C1 gd_9 8390 P O4P C1 C2 gd_14 8391 O4P C1 C2 C3 gd_17 8392 C1 C2 O2 H2 gd_12 8393 C1 C2 C3 OT1 gd_20 8394 8395[ ATP ] 8396 [ atoms ] 8397 AN9 NR -0.20000 0 8398 AC4 C 0.20000 0 8399 AN3 NR -0.36000 1 8400 AC2 CR1 0.36000 1 8401 AN1 NR -0.36000 2 8402 AC6 C 0.36000 2 8403 AN6 NT -0.83000 3 8404 AH61 H 0.41500 3 8405 AH62 H 0.41500 3 8406 AC5 C 0.00000 4 8407 AN7 NR -0.36000 4 8408 AC8 CR1 0.36000 4 8409 AC1* CH1 0.20000 5 8410 AO4* OA -0.36000 5 8411 AC4* CH1 0.16000 5 8412 AC2* CH1 0.15000 6 8413 AO2* OA -0.54800 6 8414 AH2* H 0.39800 6 8415 AC3* CH1 0.15000 7 8416 AO3* OA -0.54800 7 8417 AH3* H 0.39800 7 8418 AC5* CH2 0.00000 8 8419 AO5* OA -0.36000 9 8420 APA P 0.70500 9 8421AO1PA OM -0.63500 9 8422AO2PA OM -0.63500 9 8423AO3PA OA -0.36000 10 8424 APB P 0.70500 10 8425AO1PB OM -0.63500 10 8426AO2PB OM -0.63500 10 8427AO3PB OA -0.36000 11 8428 APG P 0.63000 11 8429AO1PG OM -0.63500 11 8430AO2PG OM -0.63500 11 8431AO3PG OA -0.54800 11 8432AH3PG H 0.39800 11 8433 [ bonds ] 8434 AN9 AC4 gb_9 8435 AN9 AC8 gb_9 8436 AN9 AC1* gb_21 8437 AC4 AN3 gb_11 8438 AC4 AC5 gb_15 8439 AN3 AC2 gb_6 8440 AC2 AN1 gb_6 8441 AN1 AC6 gb_11 8442 AC6 AN6 gb_8 8443 AC6 AC5 gb_15 8444 AN6 AH61 gb_2 8445 AN6 AH62 gb_2 8446 AC5 AN7 gb_9 8447 AN7 AC8 gb_9 8448 AC1* AO4* gb_19 8449 AC1* AC2* gb_25 8450 AO4* AC4* gb_19 8451 AC4* AC3* gb_25 8452 AC4* AC5* gb_25 8453 AC2* AO2* gb_19 8454 AC2* AC3* gb_25 8455 AO2* AH2* gb_1 8456 AC3* AO3* gb_19 8457 AO3* AH3* gb_1 8458 AC5* AO5* gb_19 8459 AO5* APA gb_27 8460 APA AO1PA gb_23 8461 APA AO2PA gb_23 8462 APA AO3PA gb_27 8463AO3PA APB gb_27 8464 APB AO1PB gb_23 8465 APB AO2PB gb_23 8466 APB AO3PB gb_27 8467AO3PB APG gb_27 8468 APG AO1PG gb_23 8469 APG AO2PG gb_23 8470 APG AO3PG gb_27 8471AO3PG AH3PG gb_1 8472 [ exclusions ] 8473; ai aj 8474 AN9 AC2 8475 AN9 AC6 8476 AC4 AN1 8477 AC4 AN6 8478 AN3 AC6 8479 AN3 AN7 8480 AN3 AC8 8481 AN3 AC1* 8482 AC2 AN6 8483 AC2 AC5 8484 AN1 AN7 8485 AC6 AC8 8486 AC5 AC1* 8487 AN7 AC1* 8488AO3PB AH3PG 8489AO1PG AH3PG 8490AO2PG AH3PG 8491 [ angles ] 8492; ai aj ak gromos type 8493 AC4 AN9 AC8 ga_6 8494 AC4 AN9 AC1* ga_36 8495 AC8 AN9 AC1* ga_36 8496 AN9 AC4 AN3 ga_38 8497 AN9 AC4 AC5 ga_6 8498 AN3 AC4 AC5 ga_26 8499 AC4 AN3 AC2 ga_26 8500 AN3 AC2 AN1 ga_26 8501 AC2 AN1 AC6 ga_26 8502 AN1 AC6 AN6 ga_26 8503 AN1 AC6 AC5 ga_26 8504 AN6 AC6 AC5 ga_26 8505 AC6 AN6 AH61 ga_22 8506 AC6 AN6 AH62 ga_22 8507 AH61 AN6 AH62 ga_23 8508 AC4 AC5 AC6 ga_26 8509 AC4 AC5 AN7 ga_6 8510 AC6 AC5 AN7 ga_38 8511 AC5 AN7 AC8 ga_6 8512 AN9 AC8 AN7 ga_6 8513 AN9 AC1* AO4* ga_8 8514 AN9 AC1* AC2* ga_8 8515 AO4* AC1* AC2* ga_8 8516 AC1* AO4* AC4* ga_9 8517 AO4* AC4* AC3* ga_8 8518 AO4* AC4* AC5* ga_8 8519 AC3* AC4* AC5* ga_7 8520 AC1* AC2* AO2* ga_8 8521 AC1* AC2* AC3* ga_7 8522 AO2* AC2* AC3* ga_8 8523 AC2* AO2* AH2* ga_11 8524 AC4* AC3* AC2* ga_7 8525 AC4* AC3* AO3* ga_8 8526 AC2* AC3* AO3* ga_8 8527 AC3* AO3* AH3* ga_11 8528 AC4* AC5* AO5* ga_8 8529 AC5* AO5* APA ga_25 8530 AO5* APA AO1PA ga_13 8531 AO5* APA AO2PA ga_13 8532 AO5* APA AO3PA ga_4 8533AO1PA APA AO2PA ga_28 8534AO1PA APA AO3PA ga_13 8535AO2PA APA AO3PA ga_13 8536 APA AO3PA APB ga_25 8537AO3PA APB AO1PB ga_13 8538AO3PA APB AO2PB ga_13 8539AO3PA APB AO3PB ga_4 8540AO1PB APB AO2PB ga_28 8541AO1PB APB AO3PB ga_13 8542AO2PB APB AO3PB ga_13 8543 APB AO3PB APG ga_25 8544AO3PB APG AO1PG ga_13 8545AO3PB APG AO2PG ga_13 8546AO3PB APG AO3PG ga_4 8547AO1PG APG AO2PG ga_28 8548AO1PG APG AO3PG ga_13 8549AO2PG APG AO3PG ga_13 8550 APG AO3PG AH3PG ga_11 8551 [ impropers ] 8552; ai aj ak al gromos type 8553 AN9 AC8 AC4 AC1* gi_1 8554 AC4 AN9 AC8 AN7 gi_1 8555 AC8 AN9 AC4 AC5 gi_1 8556 AN9 AC8 AN7 AC5 gi_1 8557 AN9 AC4 AC5 AN7 gi_1 8558 AC8 AN7 AC5 AC4 gi_1 8559 AC4 AN9 AN3 AC5 gi_1 8560 AC5 AC6 AN7 AC4 gi_1 8561 AN3 AC4 AC5 AC6 gi_1 8562 AC4 AC5 AC6 AN1 gi_1 8563 AC5 AC4 AN3 AC2 gi_1 8564 AC5 AC6 AN1 AC2 gi_1 8565 AC4 AN3 AC2 AN1 gi_1 8566 AN3 AC2 AN1 AC6 gi_1 8567 AC6 AC5 AN1 AN6 gi_1 8568 AN6 AH61 AH62 AC6 gi_1 8569 AC1* AN9 AO4* AC2* gi_2 8570 AC4* AO4* AC5* AC3* gi_2 8571 AC2* AO2* AC3* AC1* gi_2 8572 AC3* AC2* AO3* AC4* gi_2 8573 [ dihedrals ] 8574; ai aj ak al gromos type 8575 AC5 AC6 AN6 AH61 gd_4 8576 AO4* AC1* AN9 AC4 gd_6 8577 AC1* AC2* AO2* AH2* gd_12 8578 AC4* AC3* AO3* AH3* gd_12 8579 AC4* AO4* AC1* AC2* gd_14 8580 AC3* AC4* AO4* AC1* gd_14 8581 AC3* AC2* AC1* AO4* gd_17 8582 AC3* AC2* AC1* AO4* gd_7 8583 AO2* AC2* AC1* AN9 gd_7 8584 AO2* AC2* AC1* AO4* gd_8 8585 AC4* AC3* AC2* AC1* gd_17 8586 AO3* AC3* AC2* AC1* gd_7 8587 AC4* AC3* AC2* AO2* gd_7 8588 AO3* AC3* AC2* AO2* gd_8 8589 AC5* AC4* AC3* AC2* gd_17 8590 AC5* AC4* AC3* AO3* gd_7 8591 AO4* AC4* AC3* AC2* gd_7 8592 AO4* AC4* AC3* AO3* gd_8 8593 AO5* AC5* AC4* AC3* gd_17 8594 AO5* AC5* AC4* AC3* gd_7 8595 AO5* AC5* AC4* AO4* gd_8 8596 AC4* AC5* AO5* APA gd_14 8597 AC5* AO5* APA AO3PA gd_11 8598 AC5* AO5* APA AO3PA gd_9 8599 AO5* APA AO3PA APB gd_11 8600 AO5* APA AO3PA APB gd_9 8601 APA AO3PA APB AO3PB gd_11 8602 APA AO3PA APB AO3PB gd_9 8603AO3PA APB AO3PB APG gd_11 8604AO3PA APB AO3PB APG gd_9 8605 APB AO3PB APG AO3PG gd_11 8606 APB AO3PB APG AO3PG gd_9 8607AO3PB APG AO3PG AH3PG gd_11 8608AO3PB APG AO3PG AH3PG gd_9 8609 8610[ PMB ] 8611 [ atoms ] 8612 PC8 CH3 0.00000 0 8613 PC5 C 0.00000 0 8614 PC4 CR1 0.00000 0 8615 PC6 CR1 0.00000 0 8616 PC3 CR1 0.00000 1 8617 PC7 CR1 0.00000 1 8618 PC2 C 0.00000 1 8619 PC1 C 0.00000 2 8620 PO OM -0.60000 2 8621 PHC1 HC -0.20000 2 8622 PHC2 HC -0.20000 2 8623 [ bonds ] 8624 PC8 PC5 gb_26 8625 PC5 PC4 gb_15 8626 PC5 PC6 gb_15 8627 PC4 PC3 gb_15 8628 PC6 PC7 gb_15 8629 PC3 PC2 gb_15 8630 PC7 PC2 gb_15 8631 PC2 PC1 gb_26 8632 PC1 PO gb_18 8633 PC1 PHC1 gb_3 8634 PC1 PHC2 gb_3 8635 [ exclusions ] 8636; ai aj 8637 PC8 PC3 8638 PC8 PC7 8639 PC5 PC2 8640 PC4 PC7 8641 PC4 PC1 8642 PC6 PC3 8643 PC6 PC1 8644 [ angles ] 8645; ai aj ak gromos type 8646 PC8 PC5 PC4 ga_26 8647 PC8 PC5 PC6 ga_26 8648 PC4 PC5 PC6 ga_26 8649 PC5 PC4 PC3 ga_26 8650 PC5 PC6 PC7 ga_26 8651 PC4 PC3 PC2 ga_26 8652 PC6 PC7 PC2 ga_26 8653 PC3 PC2 PC7 ga_26 8654 PC3 PC2 PC1 ga_26 8655 PC7 PC2 PC1 ga_26 8656 PC2 PC1 PO ga_12 8657 PC2 PC1 PHC1 ga_10 8658 PC2 PC1 PHC2 ga_10 8659 PO PC1 PHC1 ga_10 8660 PO PC1 PHC2 ga_10 8661 PHC1 PC1 PHC2 ga_9 8662 [ impropers ] 8663; ai aj ak al gromos type 8664 PC5 PC4 PC6 PC8 gi_1 8665 PC6 PC5 PC4 PC3 gi_1 8666 PC4 PC5 PC6 PC7 gi_1 8667 PC5 PC4 PC3 PC2 gi_1 8668 PC5 PC6 PC7 PC2 gi_1 8669 PC4 PC3 PC2 PC7 gi_1 8670 PC6 PC7 PC2 PC3 gi_1 8671 PC2 PC3 PC7 PC1 gi_1 8672 [ dihedrals ] 8673; ai aj ak al gromos type 8674 PC3 PC2 PC1 PO gd_20 8675 8676[ PMBH ] 8677 [ atoms ] 8678 PC8 CH3 0.00000 0 8679 PC5 C 0.00000 0 8680 PC4 CR1 0.00000 0 8681 PC6 CR1 0.00000 0 8682 PC3 CR1 0.00000 1 8683 PC7 CR1 0.00000 1 8684 PC2 C 0.00000 1 8685 PC1 C -0.05000 2 8686 PO OA -0.54800 2 8687 PH H 0.39800 2 8688 PHC1 HC 0.10000 2 8689 PHC2 HC 0.10000 2 8690 [ bonds ] 8691 PC8 PC5 gb_26 8692 PC5 PC4 gb_15 8693 PC5 PC6 gb_15 8694 PC4 PC3 gb_15 8695 PC6 PC7 gb_15 8696 PC3 PC2 gb_15 8697 PC7 PC2 gb_15 8698 PC2 PC1 gb_26 8699 PC1 PO gb_12 8700 PO PH gb_1 8701 PC1 PHC1 gb_3 8702 PC1 PHC2 gb_3 8703 [ exclusions ] 8704; ai aj 8705 PC8 PC3 8706 PC8 PC7 8707 PC5 PC2 8708 PC4 PC7 8709 PC4 PC1 8710 PC6 PC3 8711 PC6 PC1 8712 [ angles ] 8713; ai aj ak gromos type 8714 PC8 PC5 PC4 ga_26 8715 PC8 PC5 PC6 ga_26 8716 PC4 PC5 PC6 ga_26 8717 PC5 PC4 PC3 ga_26 8718 PC5 PC6 PC7 ga_26 8719 PC4 PC3 PC2 ga_26 8720 PC6 PC7 PC2 ga_26 8721 PC3 PC2 PC7 ga_26 8722 PC3 PC2 PC1 ga_26 8723 PC7 PC2 PC1 ga_26 8724 PC2 PC1 PO ga_12 8725 PC1 PO PH ga_11 8726 PC2 PC1 PHC1 ga_10 8727 PC2 PC1 PHC2 ga_10 8728 PO PC1 PHC1 ga_10 8729 PO PC1 PHC2 ga_10 8730 PHC1 PC1 PHC2 ga_9 8731 [ impropers ] 8732; ai aj ak al gromos type 8733 PC5 PC4 PC6 PC8 gi_1 8734 PC6 PC5 PC4 PC3 gi_1 8735 PC4 PC5 PC6 PC7 gi_1 8736 PC5 PC4 PC3 PC2 gi_1 8737 PC5 PC6 PC7 PC2 gi_1 8738 PC4 PC3 PC2 PC7 gi_1 8739 PC6 PC7 PC2 PC3 gi_1 8740 PC2 PC3 PC7 PC1 gi_1 8741 [ dihedrals ] 8742; ai aj ak al gromos type 8743 PC3 PC2 PC1 PO gd_20 8744 PC2 PC1 PO PH gd_12 8745 8746[ BA ] 8747 [ atoms ] 8748 C3 C -0.10000 0 8749 H3 HC 0.10000 0 8750 C2 C -0.10000 1 8751 H2 HC 0.10000 1 8752 C4 C -0.10000 2 8753 H4 HC 0.10000 2 8754 C1 C -0.10000 3 8755 H1 HC 0.10000 3 8756 C5 C -0.10000 4 8757 H5 HC 0.10000 4 8758 C6 C 0.00000 5 8759 C7 C 0.53000 6 8760 O8 O -0.38000 6 8761 O9 OA -0.54800 6 8762 H9 H 0.39800 6 8763 [ bonds ] 8764 C3 H3 gb_3 8765 C3 C2 gb_15 8766 C3 C4 gb_15 8767 C2 H2 gb_3 8768 C2 C1 gb_15 8769 C4 H4 gb_3 8770 C4 C5 gb_15 8771 C1 H1 gb_3 8772 C1 C6 gb_15 8773 C5 H5 gb_3 8774 C5 C6 gb_15 8775 C6 C7 gb_22 8776 C7 O8 gb_4 8777 C7 O9 gb_12 8778 O9 H9 gb_1 8779 [ exclusions ] 8780; ai aj 8781 C3 H1 8782 C3 H5 8783 C3 C6 8784 H3 H2 8785 H3 H4 8786 H3 C1 8787 H3 C5 8788 C2 H4 8789 C2 C5 8790 C2 C7 8791 H2 C4 8792 H2 H1 8793 H2 C6 8794 C4 C1 8795 C4 C7 8796 H4 H5 8797 H4 C6 8798 C1 H5 8799 H1 C5 8800 H1 C7 8801 H5 C7 8802 [ angles ] 8803; ai aj ak gromos type 8804 H3 C3 C2 ga_24 8805 H3 C3 C4 ga_24 8806 C2 C3 C4 ga_26 8807 C3 C2 H2 ga_24 8808 C3 C2 C1 ga_26 8809 H2 C2 C1 ga_24 8810 C3 C4 H4 ga_24 8811 C3 C4 C5 ga_26 8812 H4 C4 C5 ga_24 8813 C2 C1 H1 ga_24 8814 C2 C1 C6 ga_26 8815 H1 C1 C6 ga_24 8816 C4 C5 H5 ga_24 8817 C4 C5 C6 ga_26 8818 H5 C5 C6 ga_24 8819 C1 C6 C5 ga_26 8820 C1 C6 C7 ga_26 8821 C5 C6 C7 ga_26 8822 C6 C7 O8 ga_29 8823 C6 C7 O9 ga_18 8824 O8 C7 O9 ga_32 8825 C7 O9 H9 ga_11 8826 [ impropers ] 8827; ai aj ak al gromos type 8828 C3 C2 C4 H3 gi_1 8829 C2 C1 C3 H2 gi_1 8830 C4 C5 C3 H4 gi_1 8831 C1 C2 C6 H1 gi_1 8832 C5 C4 C6 H5 gi_1 8833 C3 C2 C1 C6 gi_1 8834 C3 C4 C5 C6 gi_1 8835 C2 C3 C4 C5 gi_1 8836 C4 C3 C2 C1 gi_1 8837 C2 C1 C6 C5 gi_1 8838 C4 C5 C6 C1 gi_1 8839 C6 C1 C5 C7 gi_1 8840 C7 O8 O9 C6 gi_1 8841 [ dihedrals ] 8842; ai aj ak al gromos type 8843 C1 C6 C7 O9 gd_1 8844 C6 C7 O9 H9 gd_3 8845 8846[ RTOL ] 8847 [ atoms ] 8848 C18 CH3 0.00000 0 8849 C17 CH3 0.00000 0 8850 C1 C 0.00000 0 8851 C2 CH2 0.00000 1 8852 C3 CH2 0.00000 1 8853 C4 CH2 0.00000 1 8854 C5 C 0.00000 2 8855 C16 CH3 0.00000 2 8856 C6 C 0.00000 2 8857 C7 CR1 0.00000 3 8858 C8 CR1 0.00000 3 8859 C9 C 0.00000 4 8860 C19 CH3 0.00000 4 8861 C10 CR1 0.00000 4 8862 C11 CR1 0.00000 5 8863 C12 CR1 0.00000 5 8864 C13 C 0.00000 6 8865 C20 CH3 0.00000 6 8866 C14 CR1 0.00000 6 8867 C15 CH2 0.15000 7 8868 O21 OA -0.54800 7 8869 H21 H 0.39800 7 8870 [ bonds ] 8871 C18 C1 gb_26 8872 C17 C1 gb_26 8873 C1 C2 gb_26 8874 C1 C6 gb_26 8875 C2 C3 gb_26 8876 C3 C4 gb_26 8877 C4 C5 gb_26 8878 C5 C16 gb_26 8879 C5 C6 gb_9 8880 C6 C7 gb_22 8881 C7 C8 gb_12 8882 C8 C9 gb_22 8883 C9 C19 gb_26 8884 C9 C10 gb_12 8885 C10 C11 gb_22 8886 C11 C12 gb_12 8887 C12 C13 gb_22 8888 C13 C20 gb_26 8889 C13 C14 gb_12 8890 C14 C15 gb_22 8891 C15 O21 gb_17 8892 O21 H21 gb_1 8893 [ angles ] 8894; ai aj ak gromos type 8895 C18 C1 C17 ga_12 8896 C18 C1 C2 ga_12 8897 C18 C1 C6 ga_12 8898 C17 C1 C2 ga_12 8899 C17 C1 C6 ga_12 8900 C2 C1 C6 ga_12 8901 C1 C2 C3 ga_12 8902 C2 C3 C4 ga_12 8903 C3 C4 C5 ga_12 8904 C4 C5 C16 ga_26 8905 C4 C5 C6 ga_26 8906 C16 C5 C6 ga_26 8907 C1 C6 C5 ga_26 8908 C1 C6 C7 ga_26 8909 C5 C6 C7 ga_26 8910 C6 C7 C8 ga_26 8911 C7 C8 C9 ga_26 8912 C8 C9 C19 ga_26 8913 C8 C9 C10 ga_26 8914 C19 C9 C10 ga_26 8915 C9 C10 C11 ga_26 8916 C10 C11 C12 ga_26 8917 C11 C12 C13 ga_26 8918 C12 C13 C20 ga_26 8919 C12 C13 C14 ga_26 8920 C20 C13 C14 ga_26 8921 C13 C14 C15 ga_26 8922 C14 C15 O21 ga_12 8923 C15 O21 H21 ga_11 8924 [ impropers ] 8925; ai aj ak al gromos type 8926 C5 C4 C6 C16 gi_1 8927 C6 C1 C7 C5 gi_1 8928 C9 C8 C10 C19 gi_1 8929 C13 C12 C14 C20 gi_1 8930 [ dihedrals ] 8931; ai aj ak al gromos type 8932 C1 C2 C3 C4 gd_17 8933 C6 C1 C2 C3 gd_17 8934 C2 C3 C4 C5 gd_17 8935 C2 C1 C6 C5 gd_17 8936 C3 C4 C5 C6 gd_17 8937 C4 C5 C6 C1 gd_4 8938 C5 C6 C7 C8 gd_17 8939 C6 C7 C8 C9 gd_4 8940 C7 C8 C9 C10 gd_3 8941 C8 C9 C10 C11 gd_4 8942 C9 C10 C11 C12 gd_3 8943 C10 C11 C12 C13 gd_4 8944 C11 C12 C13 C14 gd_3 8945 C12 C13 C14 C15 gd_4 8946 C13 C14 C15 O21 gd_20 8947 C14 C15 O21 H21 gd_12 8948 8949[ TEMP ] 8950 [ atoms ] 8951 O1 O -0.20000 0 8952 N1 NR -0.03600 0 8953 C1 C 0.11800 0 8954 C4 C 0.11800 0 8955 CA C 0.00000 1 8956 C3 CR1 0.00000 1 8957 C6 CH3 0.00000 2 8958 C7 CH3 0.00000 3 8959 C8 CH3 0.00000 4 8960 C9 CH3 0.00000 5 8961 C5 C 0.38000 6 8962 O5 O -0.38000 6 8963 [ bonds ] 8964 O1 N1 gb_5 8965 N1 C1 gb_21 8966 N1 C4 gb_21 8967 C1 CA gb_24 8968 C1 C6 gb_25 8969 C1 C7 gb_25 8970 C4 C3 gb_24 8971 C4 C8 gb_25 8972 C4 C9 gb_25 8973 CA C3 gb_6 8974 CA C5 gb_22 8975 C5 O5 gb_4 8976 C5 +N gb_9 8977 [ exclusions ] 8978; ai aj 8979 O1 CA 8980 O1 C3 8981 O1 C6 8982 O1 C7 8983 O1 C8 8984 O1 C9 8985 N1 C5 8986 C1 C8 8987 C1 C9 8988 C4 C6 8989 C4 C7 8990 C4 C5 8991 CA C8 8992 CA C9 8993 C3 C6 8994 C3 C7 8995 C6 C5 8996 C7 C5 8997 [ angles ] 8998; ai aj ak gromos type 8999 O1 N1 C1 ga_30 9000 O1 N1 C4 ga_30 9001 C1 N1 C4 ga_18 9002 N1 C1 CA ga_2 9003 N1 C1 C6 ga_12 9004 N1 C1 C7 ga_12 9005 CA C1 C6 ga_15 9006 CA C1 C7 ga_15 9007 C6 C1 C7 ga_14 9008 C1 CA C3 ga_15 9009 C1 CA C5 ga_30 9010 C3 CA C5 ga_34 9011 CA C3 C4 ga_15 9012 N1 C4 C3 ga_2 9013 N1 C4 C8 ga_12 9014 N1 C4 C9 ga_12 9015 C3 C4 C8 ga_15 9016 C3 C4 C9 ga_15 9017 C8 C4 C9 ga_14 9018 CA C5 O5 ga_29 9019 CA C5 +N ga_18 9020 O5 C5 +N ga_32 9021 [ impropers ] 9022; ai aj ak al gromos type 9023 N1 C1 C4 O1 gi_1 9024 N1 C1 CA C3 gi_1 9025 C1 CA C3 C4 gi_1 9026 CA C3 C4 N1 gi_1 9027 C3 C4 N1 C1 gi_1 9028 C4 N1 C1 CA gi_1 9029 CA C1 C3 C5 gi_1 9030 C5 CA +N O5 gi_1 9031 [ dihedrals ] 9032; ai aj ak al gromos type 9033 C3 CA C5 +N gd_4 9034 9035[ ETH ] 9036 [ atoms ] 9037 EO OM -0.60000 0 9038 EC1 CH2 -0.40000 0 9039 EC2 CH3 0.00000 0 9040 [ bonds ] 9041 EO EC1 gb_18 9042 EC1 EC2 gb_26 9043 [ angles ] 9044; ai aj ak gromos type 9045 EO EC1 EC2 ga_12 9046 [ impropers ] 9047; ai aj ak al gromos type 9048 [ dihedrals ] 9049; ai aj ak al gromos type 9050 9051[ ETHH ] 9052 [ atoms ] 9053 EH H 0.39800 0 9054 EO OA -0.54800 0 9055 EC1 CH2 0.15000 0 9056 EC2 CH3 0.00000 1 9057 [ bonds ] 9058 EH EO gb_1 9059 EO EC1 gb_17 9060 EC1 EC2 gb_26 9061 [ angles ] 9062; ai aj ak gromos type 9063 EH EO EC1 ga_11 9064 EO EC1 EC2 ga_14 9065 [ impropers ] 9066; ai aj ak al gromos type 9067 [ dihedrals ] 9068; ai aj ak al gromos type 9069 EH EO EC1 EC2 gd_12 9070 9071[ CH4 ] 9072 [ atoms ] 9073 CM CH4 0.00000 0 9074 [ bonds ] 9075 [ angles ] 9076; ai aj ak gromos type 9077 [ impropers ] 9078; ai aj ak al gromos type 9079 [ dihedrals ] 9080; ai aj ak al gromos type 9081 9082[ AR ] 9083 [ atoms ] 9084 AR AR 0.00000 0 9085 [ bonds ] 9086 [ angles ] 9087; ai aj ak gromos type 9088 [ impropers ] 9089; ai aj ak al gromos type 9090 [ dihedrals ] 9091; ai aj ak al gromos type 9092 9093[ SO42- ] 9094 [ atoms ] 9095 S S 0.540 0 9096 O1 OM -0.635 0 9097 O2 OM -0.635 0 9098 O3 OM -0.635 0 9099 O4 OM -0.635 0 9100 [ bonds ] 9101 S O1 gb_24 9102 S O2 gb_24 9103 S O3 gb_24 9104 S O4 gb_24 9105 [ angles ] 9106; ai aj ak gromos type 9107 O1 S O2 ga_12 9108 O1 S O3 ga_12 9109 O1 S O4 ga_12 9110 O2 S O3 ga_12 9111 O2 S O4 ga_12 9112 O3 S O4 ga_12 9113 [ impropers ] 9114; ai aj ak al gromos type 9115 [ dihedrals ] 9116; ai aj ak al gromos type 9117 9118[ ZN ] 9119 [ atoms ] 9120 ZN ZN2+ 2.00000 0 9121 [ bonds ] 9122 [ angles ] 9123; ai aj ak gromos type 9124 [ impropers ] 9125; ai aj ak al gromos type 9126 [ dihedrals ] 9127; ai aj ak al gromos type 9128 9129[ NA ] 9130 [ atoms ] 9131 NA NA+ 1.00000 0 9132 [ bonds ] 9133 [ angles ] 9134; ai aj ak gromos type 9135 [ impropers ] 9136; ai aj ak al gromos type 9137 [ dihedrals ] 9138; ai aj ak al gromos type 9139 9140[ CL ] 9141 [ atoms ] 9142 CL CL- -1.00000 0 9143 [ bonds ] 9144 [ angles ] 9145; ai aj ak gromos type 9146 [ impropers ] 9147; ai aj ak al gromos type 9148 [ dihedrals ] 9149; ai aj ak al gromos type 9150 9151[ CA ] 9152 [ atoms ] 9153 CA CA2+ 2.00000 0 9154 [ bonds ] 9155 [ angles ] 9156; ai aj ak gromos type 9157 [ impropers ] 9158; ai aj ak al gromos type 9159 [ dihedrals ] 9160; ai aj ak al gromos type 9161 9162[ MG ] 9163 [ atoms ] 9164 MG MG2+ 2.00000 0 9165 [ bonds ] 9166 [ angles ] 9167; ai aj ak gromos type 9168 [ impropers ] 9169; ai aj ak al gromos type 9170 [ dihedrals ] 9171; ai aj ak al gromos type 9172 9173[ CU1 ] 9174 [ atoms ] 9175 CU CU1+ 1.00000 0 9176 [ bonds ] 9177 [ angles ] 9178; ai aj ak gromos type 9179 [ impropers ] 9180; ai aj ak al gromos type 9181 [ dihedrals ] 9182; ai aj ak al gromos type 9183 9184[ CU ] 9185 [ atoms ] 9186 CU CU2+ 2.00000 0 9187 [ bonds ] 9188 [ angles ] 9189; ai aj ak gromos type 9190 [ impropers ] 9191; ai aj ak al gromos type 9192 [ dihedrals ] 9193; ai aj ak al gromos type 9194 9195[ H2O ] 9196 [ atoms ] 9197 OW OW -0.82000 0 9198 HW1 H 0.41000 0 9199 HW2 H 0.41000 0 9200 [ bonds ] 9201 OW HW1 gb_35 9202 OW HW2 gb_35 9203 HW1 HW2 gb_41 9204 [ angles ] 9205; ai aj ak gromos type 9206 [ impropers ] 9207; ai aj ak al gromos type 9208 [ dihedrals ] 9209; ai aj ak al gromos type 9210 9211[ HOH ] 9212 [ atoms ] 9213 OW OW -0.82000 0 9214 HW1 H 0.41000 0 9215 HW2 H 0.41000 0 9216 [ bonds ] 9217 OW HW1 gb_35 9218 OW HW2 gb_35 9219 HW1 HW2 gb_41 9220 [ angles ] 9221; ai aj ak gromos type 9222 [ impropers ] 9223; ai aj ak al gromos type 9224 [ dihedrals ] 9225; ai aj ak al gromos type 9226 9227[ HO4 ] 9228 [ atoms ] 9229 OW OWT4 0.0 0 9230 HW1 H 0.52 0 9231 HW2 H 0.52 0 9232 MW IW -1.04 0 9233 [ bonds ] 9234 OW HW1 gb_35 9235 OW HW2 gb_35 9236 [ angles ] 9237; ai aj ak gromos type 9238 [ impropers ] 9239; ai aj ak al gromos type 9240 [ dihedrals ] 9241; ai aj ak al gromos type 9242 9243[ H2OE ] 9244 [ atoms ] 9245 OW OW -0.84760 0 9246 HW1 H 0.42380 0 9247 HW2 H 0.42380 0 9248 [ bonds ] 9249 OW HW1 gb_35 9250 OW HW2 gb_35 9251 HW1 HW2 gb_41 9252 [ angles ] 9253; ai aj ak gromos type 9254 [ impropers ] 9255; ai aj ak al gromos type 9256 [ dihedrals ] 9257; ai aj ak al gromos type 9258 9259[ CHCL3 ] 9260 [ atoms ] 9261 CChl CChl 0.17900 0 9262 HChl HChl 0.08200 0 9263CLCh1 CLChl -0.08700 0 9264CLCh2 CLChl -0.08700 0 9265CLCh3 CLChl -0.08700 0 9266 [ bonds ] 9267 CChl CLCh1 gb_37 9268 CChl CLCh2 gb_37 9269 CChl CLCh3 gb_37 9270 HChl CLCh1 gb_42 9271 HChl CLCh2 gb_42 9272 HChl CLCh3 gb_42 9273CLCh1 CLCh2 gb_43 9274CLCh1 CLCh3 gb_43 9275CLCh2 CLCh3 gb_43 9276 [ angles ] 9277; ai aj ak gromos type 9278 [ impropers ] 9279; ai aj ak al gromos type 9280 [ dihedrals ] 9281; ai aj ak al gromos type 9282 9283[ DMSO ] 9284 [ atoms ] 9285SDmso SDmso 0.13900 0 9286ODmso ODmso -0.45900 0 9287CDms1 CDmso 0.16000 0 9288CDms2 CDmso 0.16000 0 9289 [ bonds ] 9290SDmso ODmso gb_38 9291SDmso CDms1 gb_39 9292SDmso CDms2 gb_39 9293ODmso CDms1 gb_44 9294ODmso CDms2 gb_44 9295CDms1 CDms2 gb_45 9296 [ angles ] 9297; ai aj ak gromos type 9298 [ impropers ] 9299; ai aj ak al gromos type 9300 [ dihedrals ] 9301; ai aj ak al gromos type 9302 9303[ CH3OH ] 9304 [ atoms ] 9305 Omet OMet -0.57400 0 9306 HMet H 0.39800 0 9307 CMet CMet 0.17600 0 9308 [ bonds ] 9309 Omet HMet gb_1 9310 Omet CMet gb_17 9311 HMet CMet gb_46 9312 [ angles ] 9313; ai aj ak gromos type 9314 [ impropers ] 9315; ai aj ak al gromos type 9316 [ dihedrals ] 9317; ai aj ak al gromos type 9318 9319[ CCL4 ] 9320 [ atoms ] 9321 CCl4 CCl4 0.00000 0 9322CLCl1 CLCl4 0.00000 0 9323CLCl2 CLCl4 0.00000 0 9324CLCl3 CLCl4 0.00000 0 9325CLCl4 CLCl4 0.00000 0 9326 [ bonds ] 9327 CCl4 CLCl1 gb_40 9328 CCl4 CLCl2 gb_40 9329 CCl4 CLCl3 gb_40 9330 CCl4 CLCl4 gb_40 9331CLCl1 CLCl2 gb_47 9332CLCl1 CLCl3 gb_47 9333CLCl1 CLCl4 gb_47 9334CLCl2 CLCl3 gb_47 9335CLCl2 CLCl4 gb_47 9336 [ angles ] 9337; ai aj ak gromos type 9338 [ impropers ] 9339; ai aj ak al gromos type 9340 [ dihedrals ] 9341; ai aj ak al gromos type 9342