1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483
|
global_
_lib_name ?
_lib_version ?
_lib_update ?
# ------------------------------------------------
#
# --- LIST OF MONOMERS ---
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
CG2 CG2 'CYTIDYL-2'-5'-PHOSPHO-GUANOSINE ' non-polymer 64 40 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CG2
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
CG2 O2U O O 0.000 0.000 0.000 0.000
CG2 C2U C CR6 0.000 -0.583 -1.033 -0.284
CG2 N3U N NRD6 0.000 -0.476 -2.088 0.521
CG2 C4U C CR6 0.000 -1.100 -3.224 0.236
CG2 N4C N NH2 0.000 -0.977 -4.309 1.072
CG2 H4C2 H H 0.000 -0.410 -4.249 1.911
CG2 H4C1 H H 0.000 -1.453 -5.179 0.858
CG2 C5U C CR16 0.000 -1.889 -3.312 -0.929
CG2 H5U H H 0.000 -2.404 -4.232 -1.176
CG2 C6U C CR16 0.000 -1.992 -2.230 -1.735
CG2 H6U H H 0.000 -2.592 -2.273 -2.636
CG2 N1U N NR6 0.000 -1.334 -1.085 -1.400
CG2 "C1'" C CH1 0.000 -1.437 0.094 -2.263
CG2 HCF H H 0.000 -2.027 -0.135 -3.162
CG2 "O4'" O O2 0.000 -0.125 0.576 -2.627
CG2 "C2'" C CH1 0.000 -2.058 1.288 -1.494
CG2 HCG H H 0.000 -1.709 1.307 -0.452
CG2 "C3'" C CH1 0.000 -1.512 2.503 -2.281
CG2 HCE H H 0.000 -1.223 3.309 -1.592
CG2 "O3'" O OH1 0.000 -2.485 2.972 -3.216
CG2 HOC H H 0.000 -2.128 3.730 -3.700
CG2 "C4'" C CH1 0.000 -0.274 1.952 -3.016
CG2 HCD H H 0.000 -0.424 2.020 -4.102
CG2 "C5'" C CH2 0.000 0.968 2.748 -2.611
CG2 HCA1 H H 0.000 1.171 2.590 -1.550
CG2 HCA2 H H 0.000 0.794 3.810 -2.793
CG2 "O5'" O OH1 0.000 2.088 2.308 -3.382
CG2 HOB H H 0.000 2.873 2.811 -3.126
CG2 "O2'" O O2 0.000 -3.487 1.243 -1.551
CG2 P P P 0.000 -4.012 1.219 -0.029
CG2 O1P O OP -0.500 -3.452 2.379 0.706
CG2 O2P O OP -0.500 -3.576 -0.038 0.625
CG2 "OE'" O O2 0.000 -5.620 1.301 -0.016
CG2 "CE'" C CH2 0.000 -6.018 1.396 1.353
CG2 "HC'1" H H 0.000 -5.579 2.292 1.798
CG2 "HC'2" H H 0.000 -5.669 0.514 1.895
CG2 "CD'" C CH1 0.000 -7.543 1.477 1.437
CG2 HCC H H 0.000 -7.914 2.318 0.835
CG2 "CC'" C CH1 0.000 -7.996 1.628 2.906
CG2 HCB H H 0.000 -7.234 1.224 3.588
CG2 "OC'" O OH1 0.000 -8.265 2.998 3.209
CG2 HOA H H 0.000 -8.546 3.074 4.131
CG2 "CB'" C CH1 0.000 -9.294 0.790 2.988
CG2 HCA H H 0.000 -9.177 -0.031 3.709
CG2 "OB'" O OH1 0.000 -10.402 1.617 3.346
CG2 "HO'" H H 0.000 -10.245 2.004 4.218
CG2 "OD'" O O2 0.000 -8.138 0.238 0.992
CG2 "CA'" C CH1 0.000 -9.466 0.231 1.558
CG2 "HC'" H H 0.000 -10.135 0.878 0.973
CG2 N9G N NR5 0.000 -9.992 -1.136 1.605
CG2 C4G C CR56 0.000 -11.312 -1.494 1.668
CG2 N3G N NRD6 0.000 -12.462 -0.813 1.705
CG2 C2G C CR6 0.000 -13.619 -1.435 1.765
CG2 N2G N NH2 0.000 -14.773 -0.694 1.802
CG2 H2G2 H H 0.000 -15.675 -1.153 1.849
CG2 H2G1 H H 0.000 -14.731 0.319 1.782
CG2 C8G C CR15 0.000 -9.256 -2.285 1.594
CG2 H8G H H 0.000 -8.175 -2.331 1.549
CG2 N7G N NRD5 0.000 -10.047 -3.316 1.646
CG2 C5G C CR56 0.000 -11.333 -2.894 1.694
CG2 C6G C CR6 0.000 -12.585 -3.550 1.759
CG2 O6G O O 0.000 -12.651 -4.767 1.783
CG2 N1G N NR16 0.000 -13.704 -2.795 1.799
CG2 HNG1 H H 0.000 -14.636 -3.254 1.856
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
CG2 O2U n/a C2U START
CG2 C2U O2U N3U .
CG2 N3U C2U C4U .
CG2 C4U N3U C5U .
CG2 N4C C4U H4C1 .
CG2 H4C2 N4C . .
CG2 H4C1 N4C . .
CG2 C5U C4U C6U .
CG2 H5U C5U . .
CG2 C6U C5U N1U .
CG2 H6U C6U . .
CG2 N1U C6U "C1'" .
CG2 "C1'" N1U "C2'" .
CG2 HCF "C1'" . .
CG2 "O4'" "C1'" . .
CG2 "C2'" "C1'" "O2'" .
CG2 HCG "C2'" . .
CG2 "C3'" "C2'" "C4'" .
CG2 HCE "C3'" . .
CG2 "O3'" "C3'" HOC .
CG2 HOC "O3'" . .
CG2 "C4'" "C3'" "C5'" .
CG2 HCD "C4'" . .
CG2 "C5'" "C4'" "O5'" .
CG2 HCA1 "C5'" . .
CG2 HCA2 "C5'" . .
CG2 "O5'" "C5'" HOB .
CG2 HOB "O5'" . .
CG2 "O2'" "C2'" P .
CG2 P "O2'" "OE'" .
CG2 O1P P . .
CG2 O2P P . .
CG2 "OE'" P "CE'" .
CG2 "CE'" "OE'" "CD'" .
CG2 "HC'1" "CE'" . .
CG2 "HC'2" "CE'" . .
CG2 "CD'" "CE'" "OD'" .
CG2 HCC "CD'" . .
CG2 "CC'" "CD'" "CB'" .
CG2 HCB "CC'" . .
CG2 "OC'" "CC'" HOA .
CG2 HOA "OC'" . .
CG2 "CB'" "CC'" "OB'" .
CG2 HCA "CB'" . .
CG2 "OB'" "CB'" "HO'" .
CG2 "HO'" "OB'" . .
CG2 "OD'" "CD'" "CA'" .
CG2 "CA'" "OD'" N9G .
CG2 "HC'" "CA'" . .
CG2 N9G "CA'" C8G .
CG2 C4G N9G N3G .
CG2 N3G C4G C2G .
CG2 C2G N3G N2G .
CG2 N2G C2G H2G1 .
CG2 H2G2 N2G . .
CG2 H2G1 N2G . .
CG2 C8G N9G N7G .
CG2 H8G C8G . .
CG2 N7G C8G C5G .
CG2 C5G N7G C6G .
CG2 C6G C5G N1G .
CG2 O6G C6G . .
CG2 N1G C6G HNG1 .
CG2 HNG1 N1G . END
CG2 N1G C2G . ADD
CG2 C4G C5G . ADD
CG2 "CA'" "CB'" . ADD
CG2 "C4'" "O4'" . ADD
CG2 N1U C2U . ADD
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
CG2 N1G C2G single 1.337 0.020
CG2 N1G C6G single 1.337 0.020
CG2 HNG1 N1G single 1.040 0.020
CG2 N2G C2G single 1.355 0.020
CG2 C2G N3G double 1.350 0.020
CG2 H2G1 N2G single 1.010 0.020
CG2 H2G2 N2G single 1.010 0.020
CG2 N3G C4G single 1.355 0.020
CG2 C4G C5G double 1.490 0.020
CG2 C4G N9G single 1.337 0.020
CG2 C6G C5G single 1.490 0.020
CG2 C5G N7G single 1.350 0.020
CG2 O6G C6G double 1.250 0.020
CG2 N7G C8G double 1.350 0.020
CG2 C8G N9G single 1.337 0.020
CG2 H8G C8G single 1.083 0.020
CG2 N9G "CA'" single 1.485 0.020
CG2 "CA'" "CB'" single 1.524 0.020
CG2 "CA'" "OD'" single 1.426 0.020
CG2 "HC'" "CA'" single 1.099 0.020
CG2 "OB'" "CB'" single 1.432 0.020
CG2 "CB'" "CC'" single 1.524 0.020
CG2 HCA "CB'" single 1.099 0.020
CG2 "HO'" "OB'" single 0.967 0.020
CG2 "OC'" "CC'" single 1.432 0.020
CG2 "CC'" "CD'" single 1.524 0.020
CG2 HCB "CC'" single 1.099 0.020
CG2 HOA "OC'" single 0.967 0.020
CG2 "OD'" "CD'" single 1.426 0.020
CG2 "CD'" "CE'" single 1.524 0.020
CG2 HCC "CD'" single 1.099 0.020
CG2 "CE'" "OE'" single 1.426 0.020
CG2 "HC'1" "CE'" single 1.092 0.020
CG2 "HC'2" "CE'" single 1.092 0.020
CG2 "OE'" P single 1.610 0.020
CG2 O1P P deloc 1.510 0.020
CG2 O2P P deloc 1.510 0.020
CG2 P "O2'" single 1.610 0.020
CG2 "O5'" "C5'" single 1.432 0.020
CG2 HOB "O5'" single 0.967 0.020
CG2 "C5'" "C4'" single 1.524 0.020
CG2 HCA1 "C5'" single 1.092 0.020
CG2 HCA2 "C5'" single 1.092 0.020
CG2 "C4'" "O4'" single 1.426 0.020
CG2 "C4'" "C3'" single 1.524 0.020
CG2 HCD "C4'" single 1.099 0.020
CG2 "O4'" "C1'" single 1.426 0.020
CG2 "O3'" "C3'" single 1.432 0.020
CG2 "C3'" "C2'" single 1.524 0.020
CG2 HCE "C3'" single 1.099 0.020
CG2 HOC "O3'" single 0.967 0.020
CG2 "O2'" "C2'" single 1.426 0.020
CG2 "C2'" "C1'" single 1.524 0.020
CG2 HCG "C2'" single 1.099 0.020
CG2 "C1'" N1U single 1.465 0.020
CG2 HCF "C1'" single 1.099 0.020
CG2 N1U C2U single 1.410 0.020
CG2 N1U C6U single 1.337 0.020
CG2 C2U O2U double 1.250 0.020
CG2 N3U C2U single 1.350 0.020
CG2 C4U N3U double 1.350 0.020
CG2 C5U C4U single 1.390 0.020
CG2 N4C C4U single 1.355 0.020
CG2 C6U C5U double 1.390 0.020
CG2 H5U C5U single 1.083 0.020
CG2 H6U C6U single 1.083 0.020
CG2 H4C1 N4C single 1.010 0.020
CG2 H4C2 N4C single 1.010 0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
CG2 O2U C2U N3U 120.000 3.000
CG2 O2U C2U N1U 120.000 3.000
CG2 N3U C2U N1U 120.000 3.000
CG2 C2U N3U C4U 120.000 3.000
CG2 N3U C4U N4C 120.000 3.000
CG2 N3U C4U C5U 120.000 3.000
CG2 N4C C4U C5U 120.000 3.000
CG2 C4U N4C H4C2 120.000 3.000
CG2 C4U N4C H4C1 120.000 3.000
CG2 H4C2 N4C H4C1 120.000 3.000
CG2 C4U C5U H5U 120.000 3.000
CG2 C4U C5U C6U 120.000 3.000
CG2 H5U C5U C6U 120.000 3.000
CG2 C5U C6U H6U 120.000 3.000
CG2 C5U C6U N1U 120.000 3.000
CG2 H6U C6U N1U 120.000 3.000
CG2 C6U N1U "C1'" 120.000 3.000
CG2 C6U N1U C2U 120.000 3.000
CG2 "C1'" N1U C2U 120.000 3.000
CG2 N1U "C1'" HCF 109.470 3.000
CG2 N1U "C1'" "O4'" 109.470 3.000
CG2 N1U "C1'" "C2'" 109.470 3.000
CG2 HCF "C1'" "O4'" 109.470 3.000
CG2 HCF "C1'" "C2'" 108.340 3.000
CG2 "O4'" "C1'" "C2'" 109.470 3.000
CG2 "C1'" "O4'" "C4'" 111.800 3.000
CG2 "C1'" "C2'" HCG 108.340 3.000
CG2 "C1'" "C2'" "C3'" 111.000 3.000
CG2 "C1'" "C2'" "O2'" 109.470 3.000
CG2 HCG "C2'" "C3'" 108.340 3.000
CG2 HCG "C2'" "O2'" 109.470 3.000
CG2 "C3'" "C2'" "O2'" 109.470 3.000
CG2 "C2'" "C3'" HCE 108.340 3.000
CG2 "C2'" "C3'" "O3'" 109.470 3.000
CG2 "C2'" "C3'" "C4'" 111.000 3.000
CG2 HCE "C3'" "O3'" 109.470 3.000
CG2 HCE "C3'" "C4'" 108.340 3.000
CG2 "O3'" "C3'" "C4'" 109.470 3.000
CG2 "C3'" "O3'" HOC 109.470 3.000
CG2 "C3'" "C4'" HCD 108.340 3.000
CG2 "C3'" "C4'" "C5'" 111.000 3.000
CG2 "C3'" "C4'" "O4'" 109.470 3.000
CG2 HCD "C4'" "C5'" 108.340 3.000
CG2 HCD "C4'" "O4'" 109.470 3.000
CG2 "C5'" "C4'" "O4'" 109.470 3.000
CG2 "C4'" "C5'" HCA1 109.470 3.000
CG2 "C4'" "C5'" HCA2 109.470 3.000
CG2 "C4'" "C5'" "O5'" 109.470 3.000
CG2 HCA1 "C5'" HCA2 107.900 3.000
CG2 HCA1 "C5'" "O5'" 109.470 3.000
CG2 HCA2 "C5'" "O5'" 109.470 3.000
CG2 "C5'" "O5'" HOB 109.470 3.000
CG2 "C2'" "O2'" P 120.500 3.000
CG2 "O2'" P O1P 108.200 3.000
CG2 "O2'" P O2P 108.200 3.000
CG2 "O2'" P "OE'" 102.600 3.000
CG2 O1P P O2P 119.900 3.000
CG2 O1P P "OE'" 108.200 3.000
CG2 O2P P "OE'" 108.200 3.000
CG2 P "OE'" "CE'" 120.500 3.000
CG2 "OE'" "CE'" "HC'1" 109.470 3.000
CG2 "OE'" "CE'" "HC'2" 109.470 3.000
CG2 "OE'" "CE'" "CD'" 109.470 3.000
CG2 "HC'1" "CE'" "HC'2" 107.900 3.000
CG2 "HC'1" "CE'" "CD'" 109.470 3.000
CG2 "HC'2" "CE'" "CD'" 109.470 3.000
CG2 "CE'" "CD'" HCC 108.340 3.000
CG2 "CE'" "CD'" "CC'" 111.000 3.000
CG2 "CE'" "CD'" "OD'" 109.470 3.000
CG2 HCC "CD'" "CC'" 108.340 3.000
CG2 HCC "CD'" "OD'" 109.470 3.000
CG2 "CC'" "CD'" "OD'" 109.470 3.000
CG2 "CD'" "CC'" HCB 108.340 3.000
CG2 "CD'" "CC'" "OC'" 109.470 3.000
CG2 "CD'" "CC'" "CB'" 111.000 3.000
CG2 HCB "CC'" "OC'" 109.470 3.000
CG2 HCB "CC'" "CB'" 108.340 3.000
CG2 "OC'" "CC'" "CB'" 109.470 3.000
CG2 "CC'" "OC'" HOA 109.470 3.000
CG2 "CC'" "CB'" HCA 108.340 3.000
CG2 "CC'" "CB'" "OB'" 109.470 3.000
CG2 "CC'" "CB'" "CA'" 111.000 3.000
CG2 HCA "CB'" "OB'" 109.470 3.000
CG2 HCA "CB'" "CA'" 108.340 3.000
CG2 "OB'" "CB'" "CA'" 109.470 3.000
CG2 "CB'" "OB'" "HO'" 109.470 3.000
CG2 "CD'" "OD'" "CA'" 111.800 3.000
CG2 "OD'" "CA'" "HC'" 109.470 3.000
CG2 "OD'" "CA'" N9G 109.470 3.000
CG2 "OD'" "CA'" "CB'" 109.470 3.000
CG2 "HC'" "CA'" N9G 109.470 3.000
CG2 "HC'" "CA'" "CB'" 108.340 3.000
CG2 N9G "CA'" "CB'" 109.470 3.000
CG2 "CA'" N9G C4G 126.000 3.000
CG2 "CA'" N9G C8G 126.000 3.000
CG2 C4G N9G C8G 108.000 3.000
CG2 N9G C4G N3G 132.000 3.000
CG2 N9G C4G C5G 108.000 3.000
CG2 N3G C4G C5G 120.000 3.000
CG2 C4G N3G C2G 120.000 3.000
CG2 N3G C2G N2G 120.000 3.000
CG2 N3G C2G N1G 120.000 3.000
CG2 N2G C2G N1G 120.000 3.000
CG2 C2G N2G H2G2 120.000 3.000
CG2 C2G N2G H2G1 120.000 3.000
CG2 H2G2 N2G H2G1 120.000 3.000
CG2 N9G C8G H8G 126.000 3.000
CG2 N9G C8G N7G 108.000 3.000
CG2 H8G C8G N7G 126.000 3.000
CG2 C8G N7G C5G 108.000 3.000
CG2 N7G C5G C6G 132.000 3.000
CG2 N7G C5G C4G 108.000 3.000
CG2 C6G C5G C4G 120.000 3.000
CG2 C5G C6G O6G 120.000 3.000
CG2 C5G C6G N1G 120.000 3.000
CG2 O6G C6G N1G 120.000 3.000
CG2 C6G N1G HNG1 120.000 3.000
CG2 C6G N1G C2G 120.000 3.000
CG2 HNG1 N1G C2G 120.000 3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
CG2 CONST_1 O2U C2U N3U C4U 180.000 0.000 0
CG2 CONST_2 C2U N3U C4U C5U 0.000 0.000 0
CG2 CONST_3 N3U C4U N4C H4C1 179.940 0.000 0
CG2 CONST_4 N3U C4U C5U C6U 0.000 0.000 0
CG2 CONST_5 C4U C5U C6U N1U 0.000 0.000 0
CG2 CONST_6 C5U C6U N1U "C1'" 180.000 0.000 0
CG2 CONST_7 C6U N1U C2U O2U 180.000 0.000 0
CG2 var_1 C6U N1U "C1'" "C2'" 119.420 20.000 1
CG2 var_2 N1U "C1'" "O4'" "C4'" -150.000 20.000 1
CG2 var_3 N1U "C1'" "C2'" "O2'" -90.000 20.000 3
CG2 var_4 "C1'" "C2'" "C3'" "C4'" -30.000 20.000 3
CG2 var_5 "C2'" "C3'" "O3'" HOC -179.948 20.000 1
CG2 var_6 "C2'" "C3'" "C4'" "C5'" -120.000 20.000 3
CG2 var_7 "C3'" "C4'" "O4'" "C1'" 30.000 20.000 1
CG2 var_8 "C3'" "C4'" "C5'" "O5'" -174.974 20.000 3
CG2 var_9 "C4'" "C5'" "O5'" HOB -179.996 20.000 1
CG2 var_10 "C1'" "C2'" "O2'" P 122.879 20.000 1
CG2 var_11 "C2'" "O2'" P "OE'" 174.995 20.000 1
CG2 var_12 "O2'" P "OE'" "CE'" -174.953 20.000 1
CG2 var_13 P "OE'" "CE'" "CD'" -179.992 20.000 1
CG2 var_14 "OE'" "CE'" "CD'" "OD'" 66.415 20.000 3
CG2 var_15 "CE'" "CD'" "CC'" "CB'" -150.000 20.000 3
CG2 var_16 "CD'" "CC'" "OC'" HOA -179.961 20.000 1
CG2 var_17 "CD'" "CC'" "CB'" "OB'" -120.000 20.000 3
CG2 var_18 "CC'" "CB'" "OB'" "HO'" -61.448 20.000 1
CG2 var_19 "CE'" "CD'" "OD'" "CA'" 150.000 20.000 1
CG2 var_20 "CD'" "OD'" "CA'" N9G -150.000 20.000 1
CG2 var_21 "OD'" "CA'" "CB'" "CC'" 30.000 20.000 3
CG2 var_22 "OD'" "CA'" N9G C8G 22.052 20.000 1
CG2 CONST_8 "CA'" N9G C4G N3G 0.000 0.000 0
CG2 CONST_9 N9G C4G C5G N7G 0.000 0.000 0
CG2 CONST_10 N9G C4G N3G C2G 180.000 0.000 0
CG2 CONST_11 C4G N3G C2G N2G 180.000 0.000 0
CG2 CONST_12 N3G C2G N2G H2G1 0.034 0.000 0
CG2 CONST_13 "CA'" N9G C8G N7G 180.000 0.000 0
CG2 CONST_14 N9G C8G N7G C5G 0.000 0.000 0
CG2 CONST_15 C8G N7G C5G C6G 180.000 0.000 0
CG2 CONST_16 N7G C5G C6G N1G 180.000 0.000 0
CG2 CONST_17 C5G C6G N1G C2G 0.000 0.000 0
CG2 CONST_18 C6G N1G C2G N3G 0.000 0.000 0
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
CG2 chir_01 "CA'" N9G "CB'" "OD'" negativ
CG2 chir_02 "CB'" "CA'" "OB'" "CC'" positiv
CG2 chir_03 "CC'" "CB'" "OC'" "CD'" positiv
CG2 chir_04 "CD'" "CC'" "OD'" "CE'" positiv
CG2 chir_05 "C4'" "C5'" "O4'" "C3'" negativ
CG2 chir_06 "C3'" "C4'" "O3'" "C2'" negativ
CG2 chir_07 "C2'" "C3'" "O2'" "C1'" negativ
CG2 chir_08 "C1'" "O4'" "C2'" N1U positiv
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
CG2 plan-1 N1G 0.020
CG2 plan-1 C2G 0.020
CG2 plan-1 C6G 0.020
CG2 plan-1 HNG1 0.020
CG2 plan-1 N3G 0.020
CG2 plan-1 N2G 0.020
CG2 plan-1 C4G 0.020
CG2 plan-1 C5G 0.020
CG2 plan-1 N9G 0.020
CG2 plan-1 N7G 0.020
CG2 plan-1 C8G 0.020
CG2 plan-1 O6G 0.020
CG2 plan-1 H8G 0.020
CG2 plan-1 "CA'" 0.020
CG2 plan-1 H2G2 0.020
CG2 plan-1 H2G1 0.020
CG2 plan-2 N2G 0.020
CG2 plan-2 C2G 0.020
CG2 plan-2 H2G1 0.020
CG2 plan-2 H2G2 0.020
CG2 plan-3 N1U 0.020
CG2 plan-3 "C1'" 0.020
CG2 plan-3 C2U 0.020
CG2 plan-3 C6U 0.020
CG2 plan-3 N3U 0.020
CG2 plan-3 C4U 0.020
CG2 plan-3 C5U 0.020
CG2 plan-3 O2U 0.020
CG2 plan-3 N4C 0.020
CG2 plan-3 H5U 0.020
CG2 plan-3 H6U 0.020
CG2 plan-3 H4C2 0.020
CG2 plan-3 H4C1 0.020
CG2 plan-4 N4C 0.020
CG2 plan-4 C4U 0.020
CG2 plan-4 H4C1 0.020
CG2 plan-4 H4C2 0.020
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