REMARK Name = BDB058785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 1.072 0.518 -2.478 0.00 0.00 +0.056 A ATOM 2 C UNK A 0 0.881 1.265 -1.291 0.00 0.00 +0.006 A ATOM 3 C UNK A 0 -0.286 1.023 -0.515 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 -0.434 1.747 0.695 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 0.503 2.688 1.122 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 1.627 2.934 0.352 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -1.258 0.065 -0.951 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -1.002 -0.669 -2.115 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 1.814 2.231 -0.836 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 0.144 -0.442 -2.872 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 N UNK A 0 2.244 0.675 -3.281 0.00 0.00 -0.216 N ATOM 12 H UNK A 0 2.632 1.608 -3.395 0.00 0.00 +0.174 HD BRANCH 11 13 ATOM 13 S UNK A 0 3.421 -0.533 -3.277 0.00 0.00 +0.072 S ATOM 14 O UNK A 0 4.574 0.039 -3.942 0.00 0.00 -0.150 OA ATOM 15 O UNK A 0 2.839 -1.777 -3.734 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C UNK A 0 4.507 -1.019 1.139 0.00 0.00 +0.120 A ATOM 17 C UNK A 0 5.214 -0.118 0.338 0.00 0.00 +0.047 A ATOM 18 C UNK A 0 4.883 0.031 -1.013 0.00 0.00 +0.032 A ATOM 19 C UNK A 0 3.834 -0.717 -1.557 0.00 0.00 +0.109 A ATOM 20 C UNK A 0 3.139 -1.638 -0.771 0.00 0.00 +0.032 A ATOM 21 C UNK A 0 3.474 -1.776 0.576 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C UNK A 0 5.764 -0.510 3.092 0.00 0.00 +0.277 C ATOM 23 O UNK A 0 4.729 -1.257 2.467 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 7 24 ATOM 24 N MET A 1 -2.415 -0.138 -0.167 0.00 0.00 -0.331 N ATOM 25 H MET A 1 -2.827 0.781 0.014 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 CA MET A 1 -3.469 -1.100 -0.556 0.00 0.00 +0.180 C BRANCH 26 27 ATOM 27 C MET A 1 -4.405 -0.498 -1.606 0.00 0.00 +0.325 C ATOM 28 O MET A 1 -4.681 0.686 -1.734 0.00 0.00 -0.249 OA BRANCH 27 29 ATOM 29 OXT MET A 1 -4.970 -1.423 -2.408 0.00 0.00 -0.479 OA ATOM 30 HXT MET A 1 -5.535 -0.904 -3.020 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 CB MET A 1 -4.270 -1.530 0.685 0.00 0.00 +0.044 C BRANCH 31 32 ATOM 32 CG MET A 1 -4.984 -0.382 1.402 0.00 0.00 +0.071 C BRANCH 32 33 ATOM 33 SD MET A 1 -5.938 -1.034 2.812 0.00 0.00 -0.164 S ATOM 34 CE MET A 1 -6.609 0.529 3.429 0.00 0.00 +0.084 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 24 26 ENDBRANCH 7 24 TORSDOF 11