REMARK Name = BDB000235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 1.718 -0.260 0.842 0.00 0.00 +0.269 C ATOM 2 N UNK A 1 1.715 -1.320 -0.085 0.00 0.00 -0.285 N ATOM 3 C UNK A 1 0.421 -1.889 -0.459 0.00 0.00 +0.162 C ATOM 4 C UNK A 1 0.221 -2.983 0.579 0.00 0.00 +0.033 C ATOM 5 C UNK A 1 1.636 -3.552 0.731 0.00 0.00 +0.021 C ATOM 6 C UNK A 1 2.584 -2.437 0.261 0.00 0.00 +0.109 C ATOM 7 O UNK A 1 0.725 0.058 1.494 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 11 ATOM 8 C UNK A 1 5.012 1.080 0.740 0.00 0.00 +0.213 A ATOM 9 O UNK A 1 4.487 1.954 1.653 0.00 0.00 -0.445 OA ATOM 10 C UNK A 1 3.195 1.549 1.792 0.00 0.00 +0.230 A ATOM 11 C UNK A 1 2.986 0.457 0.980 0.00 0.00 +0.164 A ATOM 12 N UNK A 1 4.167 0.157 0.316 0.00 0.00 -0.207 NA BRANCH 8 14 ATOM 13 C UNK A 1 6.587 2.392 -0.673 0.00 0.00 +0.034 C ATOM 14 C UNK A 1 6.453 1.280 0.364 0.00 0.00 +0.135 C BRANCH 14 15 ATOM 15 N UNK A 1 7.050 0.044 -0.178 0.00 0.00 -0.320 NA ATOM 16 H UNK A 1 6.472 -0.246 -0.971 0.00 0.00 +0.119 HD ATOM 17 H UNK A 1 6.913 -0.695 0.513 0.00 0.00 +0.119 HD ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 3 18 ATOM 18 C UNK A 1 -0.725 -0.890 -0.737 0.00 0.00 +0.234 C ATOM 19 N PHE A 2 -1.997 -1.360 -0.469 0.00 0.00 -0.301 N ATOM 20 H PHE A 2 -2.120 -2.364 -0.455 0.00 0.00 +0.150 HD ATOM 21 O UNK A 1 -0.530 0.211 -1.251 0.00 0.00 -0.274 OA BRANCH 19 22 ATOM 22 CA PHE A 2 -3.190 -0.585 -0.852 0.00 0.00 +0.186 C BRANCH 22 23 ATOM 23 C PHE A 2 -3.349 -0.704 -2.373 0.00 0.00 +0.326 C ATOM 24 O PHE A 2 -3.003 -1.672 -3.041 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT PHE A 2 -3.994 0.314 -2.970 0.00 0.00 -0.479 OA ATOM 26 HXT PHE A 2 -3.996 0.070 -3.919 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 CB PHE A 2 -3.184 0.854 -0.303 0.00 0.00 +0.069 C BRANCH 27 28 ATOM 28 CG PHE A 2 -4.552 1.299 0.172 0.00 0.00 -0.045 A ATOM 29 CD2 PHE A 2 -5.368 2.099 -0.636 0.00 0.00 +0.004 A ATOM 30 CE2 PHE A 2 -6.634 2.490 -0.196 0.00 0.00 +0.000 A ATOM 31 CZ PHE A 2 -7.094 2.087 1.056 0.00 0.00 +0.000 A ATOM 32 CE1 PHE A 2 -6.289 1.293 1.870 0.00 0.00 +0.000 A ATOM 33 CD1 PHE A 2 -5.024 0.900 1.431 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 22 27 ENDBRANCH 19 22 ENDBRANCH 3 18 TORSDOF 9