qm_property_calculation / dummy_struct.pdb
t7morgen
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CRYST1 81.052 81.052 81.052 109.47 109.47 109.47 1
ATOM 1 N GLU 199 36.081 39.009 29.686 1.00 0.00 N
ATOM 2 H1 GLU 199 35.429 38.796 30.426 1.00 0.00 H
ATOM 3 H2 GLU 199 36.154 38.207 29.076 1.00 0.00 H
ATOM 4 H3 GLU 199 35.853 39.916 29.303 1.00 0.00 H
ATOM 5 CA GLU 199 37.432 39.167 30.291 1.00 0.00 C
ATOM 6 HA GLU 199 38.116 38.436 29.860 1.00 0.00 H
ATOM 7 CB GLU 199 37.982 40.570 30.022 1.00 0.00 C
ATOM 8 HB2 GLU 199 38.901 40.671 30.598 1.00 0.00 H
ATOM 9 HB3 GLU 199 38.212 40.628 28.958 1.00 0.00 H
ATOM 10 CG GLU 199 37.028 41.688 30.394 1.00 0.00 C
ATOM 11 HG2 GLU 199 36.079 41.510 29.887 1.00 0.00 H
ATOM 12 HG3 GLU 199 36.878 41.635 31.472 1.00 0.00 H
ATOM 13 CD GLU 199 37.549 43.062 30.023 1.00 0.00 C
ATOM 14 OE1 GLU 199 38.098 43.217 28.907 1.00 0.00 O
ATOM 15 OE2 GLU 199 37.394 43.992 30.847 1.00 0.00 O
ATOM 16 C GLU 199 37.378 38.880 31.790 1.00 0.00 C
ATOM 17 O GLU 199 36.391 39.196 32.464 1.00 0.00 O
ATOM 18 N ASP 200 38.421 38.232 32.294 1.00 0.00 N
ATOM 19 H ASP 200 39.166 37.937 31.679 1.00 0.00 H
ATOM 20 CA ASP 200 38.512 37.883 33.705 1.00 0.00 C
ATOM 21 HA ASP 200 37.703 38.355 34.262 1.00 0.00 H
ATOM 22 CB ASP 200 38.401 36.370 33.871 1.00 0.00 C
ATOM 23 HB2 ASP 200 39.160 35.871 33.269 1.00 0.00 H
ATOM 24 HB3 ASP 200 38.581 36.162 34.926 1.00 0.00 H
ATOM 25 CG ASP 200 37.030 35.856 33.483 1.00 0.00 C
ATOM 26 OD1 ASP 200 36.116 35.958 34.323 1.00 0.00 O
ATOM 27 OD2 ASP 200 36.851 35.393 32.334 1.00 0.00 O
ATOM 28 C ASP 200 39.827 38.407 34.256 1.00 0.00 C
ATOM 29 O ASP 200 40.869 37.761 34.126 1.00 0.00 O
ATOM 30 N LEU 201 39.771 39.607 34.828 1.00 0.00 N
ATOM 31 H LEU 201 38.893 40.106 34.850 1.00 0.00 H
ATOM 32 CA LEU 201 40.950 40.261 35.373 1.00 0.00 C
ATOM 33 HA LEU 201 41.853 39.729 35.075 1.00 0.00 H
ATOM 34 CB LEU 201 41.025 41.684 34.837 1.00 0.00 C
ATOM 35 HB2 LEU 201 40.080 42.153 35.112 1.00 0.00 H
ATOM 36 HB3 LEU 201 41.851 42.260 35.254 1.00 0.00 H
ATOM 37 CG LEU 201 41.150 41.645 33.318 1.00 0.00 C
ATOM 38 HG LEU 201 40.848 40.661 32.961 1.00 0.00 H
ATOM 39 CD1 LEU 201 40.276 42.692 32.696 1.00 0.00 C
ATOM 40 HD11 LEU 201 40.578 43.677 33.052 1.00 0.00 H
ATOM 41 HD12 LEU 201 40.375 42.652 31.612 1.00 0.00 H
ATOM 42 HD13 LEU 201 39.237 42.509 32.972 1.00 0.00 H
ATOM 43 CD2 LEU 201 42.612 41.790 32.919 1.00 0.00 C
ATOM 44 HD21 LEU 201 43.189 40.972 33.350 1.00 0.00 H
ATOM 45 HD22 LEU 201 42.697 41.762 31.833 1.00 0.00 H
ATOM 46 HD23 LEU 201 42.997 42.740 33.289 1.00 0.00 H
ATOM 47 C LEU 201 40.979 40.272 36.891 1.00 0.00 C
ATOM 48 O LEU 201 42.089 40.361 37.458 1.00 0.00 O
ATOM 49 OXT LEU 201 39.891 40.190 37.498 1.00 0.00 O
TER 50 LEU 201
END