REMARK Name = BDB058791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.044 0.409 -1.364 0.00 0.00 +0.060 A ATOM 2 C UNK A 0 -0.052 1.010 -0.083 0.00 0.00 +0.007 A ATOM 3 C UNK A 0 -1.141 0.668 0.768 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 -1.194 1.291 2.042 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 -0.227 2.203 2.469 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 0.827 2.529 1.635 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -2.118 -0.264 0.303 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -1.996 -0.815 -0.982 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 0.908 1.944 0.374 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 -0.932 -0.481 -1.809 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N SER A 1 -3.228 -0.670 1.086 0.00 0.00 -0.329 N ATOM 12 H SER A 1 -3.145 -0.354 2.052 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA SER A 1 -4.556 -0.232 0.542 0.00 0.00 +0.205 C BRANCH 13 14 ATOM 14 C SER A 1 -5.067 0.992 1.294 0.00 0.00 +0.327 C ATOM 15 O SER A 1 -4.654 1.398 2.371 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 OXT SER A 1 -6.078 1.625 0.666 0.00 0.00 -0.479 OA ATOM 17 HXT SER A 1 -6.290 2.391 1.243 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 BRANCH 13 18 ATOM 18 CB SER A 1 -5.552 -1.379 0.754 0.00 0.00 +0.189 C BRANCH 18 19 ATOM 19 OG SER A 1 -5.024 -2.599 0.226 0.00 0.00 -0.393 OA ATOM 20 H SER A 1 -4.084 -2.604 0.503 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 21 ATOM 21 N UNK A 0 1.156 0.738 -2.229 0.00 0.00 -0.192 N BRANCH 21 22 ATOM 22 S UNK A 0 2.324 -0.474 -2.468 0.00 0.00 +0.075 S ATOM 23 O UNK A 0 3.327 0.118 -3.340 0.00 0.00 -0.150 OA ATOM 24 O UNK A 0 1.676 -1.708 -2.851 0.00 0.00 -0.150 OA BRANCH 22 28 ATOM 25 C UNK A 0 4.165 -1.027 1.674 0.00 0.00 +0.120 A ATOM 26 C UNK A 0 3.076 -1.809 1.281 0.00 0.00 +0.047 A ATOM 27 C UNK A 0 2.515 -1.645 0.011 0.00 0.00 +0.032 A ATOM 28 C UNK A 0 3.038 -0.684 -0.859 0.00 0.00 +0.109 A ATOM 29 C UNK A 0 4.140 0.087 -0.485 0.00 0.00 +0.032 A ATOM 30 C UNK A 0 4.694 -0.086 0.784 0.00 0.00 +0.047 A BRANCH 25 32 ATOM 31 C UNK A 0 4.289 -2.010 3.835 0.00 0.00 +0.277 C ATOM 32 O UNK A 0 4.801 -1.085 2.884 0.00 0.00 -0.495 OA ENDBRANCH 25 32 ENDBRANCH 22 28 ENDBRANCH 21 22 BRANCH 21 33 ATOM 33 C UNK A 0 0.843 1.582 -3.406 0.00 0.00 +0.251 C BRANCH 33 34 ATOM 34 C UNK A 0 0.577 0.872 -4.714 0.00 0.00 +0.324 C ATOM 35 O UNK A 0 -0.548 0.659 -5.147 0.00 0.00 -0.249 OA BRANCH 34 36 ATOM 36 O UNK A 0 1.687 0.494 -5.390 0.00 0.00 -0.479 OA ATOM 37 H UNK A 0 2.536 0.596 -4.896 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 21 33 ENDBRANCH 1 21 TORSDOF 13