REMARK Name = BDB058800 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -0.652 0.167 0.063 0.00 0.00 +0.060 A ATOM 2 C UNK A 0 -1.277 -0.988 -0.462 0.00 0.00 +0.007 A ATOM 3 C UNK A 0 -2.672 -1.179 -0.252 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 -3.265 -2.327 -0.838 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 -2.528 -3.263 -1.567 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 -1.167 -3.082 -1.739 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -3.415 -0.227 0.521 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -2.764 0.937 0.951 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 -0.552 -1.958 -1.194 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 -1.403 1.133 0.732 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N ALA A 1 -4.798 -0.407 0.720 0.00 0.00 -0.331 N ATOM 12 H ALA A 1 -5.032 -1.401 0.781 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA ALA A 1 -5.542 0.341 1.759 0.00 0.00 +0.177 C ATOM 14 CB ALA A 1 -6.220 1.548 1.120 0.00 0.00 +0.040 C BRANCH 13 15 ATOM 15 C ALA A 1 -6.603 -0.582 2.377 0.00 0.00 +0.325 C ATOM 16 O ALA A 1 -6.762 -1.768 2.120 0.00 0.00 -0.249 OA BRANCH 15 17 ATOM 17 OXT ALA A 1 -7.366 0.016 3.314 0.00 0.00 -0.479 OA ATOM 18 HXT ALA A 1 -7.963 -0.697 3.625 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 19 ATOM 19 N UNK A 0 0.751 0.414 -0.213 0.00 0.00 -0.192 N BRANCH 19 20 ATOM 20 S UNK A 0 1.719 0.595 1.186 0.00 0.00 +0.075 S ATOM 21 O UNK A 0 1.426 -0.476 2.115 0.00 0.00 -0.150 OA ATOM 22 O UNK A 0 1.638 1.982 1.603 0.00 0.00 -0.150 OA BRANCH 20 26 ATOM 23 C UNK A 0 5.958 -0.154 -0.349 0.00 0.00 +0.120 A ATOM 24 C UNK A 0 5.043 -1.207 -0.241 0.00 0.00 +0.047 A ATOM 25 C UNK A 0 3.749 -0.982 0.232 0.00 0.00 +0.032 A ATOM 26 C UNK A 0 3.367 0.313 0.583 0.00 0.00 +0.109 A ATOM 27 C UNK A 0 4.274 1.372 0.493 0.00 0.00 +0.032 A ATOM 28 C UNK A 0 5.569 1.135 0.022 0.00 0.00 +0.047 A BRANCH 23 30 ATOM 29 C UNK A 0 8.185 0.497 -0.873 0.00 0.00 +0.277 C ATOM 30 O UNK A 0 7.187 -0.515 -0.828 0.00 0.00 -0.495 OA ENDBRANCH 23 30 ENDBRANCH 20 26 ENDBRANCH 19 20 BRANCH 19 31 ATOM 31 C UNK A 0 0.994 1.397 -1.308 0.00 0.00 +0.251 C BRANCH 31 32 ATOM 32 C UNK A 0 2.039 0.893 -2.276 0.00 0.00 +0.324 C ATOM 33 O UNK A 0 2.255 -0.264 -2.599 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 O UNK A 0 2.760 1.891 -2.830 0.00 0.00 -0.479 OA ATOM 35 H UNK A 0 3.393 1.421 -3.416 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 19 31 ENDBRANCH 1 19 TORSDOF 11