REMARK Name = BDB044182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N PHE A 1 -0.533 1.349 0.866 0.00 0.00 -0.303 N ATOM 2 H PHE A 1 -0.865 1.276 1.823 0.00 0.00 +0.149 HD ATOM 3 C PHE A 1 -1.402 1.238 -0.192 0.00 0.00 +0.234 C ATOM 4 O PHE A 1 -1.016 1.226 -1.362 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 6 ATOM 5 CB PHE A 1 1.469 2.712 0.475 0.00 0.00 +0.038 C ATOM 6 CA PHE A 1 0.914 1.310 0.687 0.00 0.00 +0.156 C BRANCH 6 7 ATOM 7 C PHE A 1 1.516 0.652 1.943 0.00 0.00 +0.234 C ATOM 8 N PHE A 1 2.849 0.314 1.841 0.00 0.00 -0.304 N ATOM 9 H PHE A 1 3.379 0.788 1.117 0.00 0.00 +0.149 HD ATOM 10 O PHE A 1 0.844 0.437 2.953 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 CA PHE A 1 3.612 -0.079 3.018 0.00 0.00 +0.136 C BRANCH 11 12 ATOM 12 C PHE A 1 4.355 1.132 3.575 0.00 0.00 +0.245 C ATOM 13 O PHE A 1 4.425 2.219 3.005 0.00 0.00 -0.299 OA ENDBRANCH 11 12 BRANCH 11 14 ATOM 14 CB PHE A 1 4.548 -1.269 2.762 0.00 0.00 +0.033 C BRANCH 14 15 ATOM 15 CG PHE A 1 5.346 -1.291 1.438 0.00 0.00 -0.009 C ATOM 16 CD2 PHE A 1 6.353 -0.146 1.294 0.00 0.00 +0.003 C ATOM 17 CE2 PHE A 1 7.070 -0.168 -0.061 0.00 0.00 +0.000 C ATOM 18 CZ PHE A 1 7.162 -1.556 -0.691 0.00 0.00 +0.000 C ATOM 19 CE1 PHE A 1 7.274 -2.639 0.369 0.00 0.00 +0.000 C ATOM 20 CD1 PHE A 1 6.063 -2.654 1.304 0.00 0.00 +0.003 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 8 11 ENDBRANCH 6 7 ENDBRANCH 1 6 BRANCH 3 21 ATOM 21 CA PHE A 1 -2.895 1.167 0.187 0.00 0.00 +0.166 C BRANCH 21 22 ATOM 22 N PHE A 1 -3.673 1.188 -1.043 0.00 0.00 -0.269 N ATOM 23 H PHE A 1 -3.199 0.984 -1.916 0.00 0.00 +0.153 HD ATOM 24 C UNK A 0 -4.980 1.544 -1.097 0.00 0.00 +0.401 C ATOM 25 O UNK A 0 -5.651 1.859 -0.127 0.00 0.00 -0.226 OA BRANCH 24 26 ATOM 26 O UNK A 0 -5.399 1.482 -2.379 0.00 0.00 -0.445 OA BRANCH 26 27 ATOM 27 C UNK A 0 -6.771 1.801 -2.726 0.00 0.00 +0.107 C ATOM 28 C UNK A 0 -7.752 0.825 -2.067 0.00 0.00 +0.055 C ATOM 29 C UNK A 0 -6.841 1.612 -4.250 0.00 0.00 +0.055 C ATOM 30 C UNK A 0 -7.105 3.260 -2.398 0.00 0.00 +0.055 C ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 21 22 BRANCH 21 31 ATOM 31 CB PHE A 1 -3.232 -0.033 1.092 0.00 0.00 +0.067 C BRANCH 31 32 ATOM 32 CG PHE A 1 -2.831 -1.384 0.543 0.00 0.00 -0.045 A ATOM 33 CD2 PHE A 1 -1.655 -2.010 0.981 0.00 0.00 +0.004 A ATOM 34 CE2 PHE A 1 -1.278 -3.251 0.464 0.00 0.00 +0.000 A ATOM 35 CZ PHE A 1 -2.072 -3.879 -0.492 0.00 0.00 +0.000 A ATOM 36 CE1 PHE A 1 -3.246 -3.270 -0.931 0.00 0.00 +0.000 A ATOM 37 CD1 PHE A 1 -3.625 -2.030 -0.415 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 21 31 ENDBRANCH 3 21 TORSDOF 12