REMARK Name = BDB058786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.762 -1.701 0.083 0.00 0.00 +0.060 A ATOM 2 C UNK A 0 -0.420 -2.135 0.731 0.00 0.00 +0.007 A ATOM 3 C UNK A 0 -1.614 -1.385 0.557 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 -2.784 -1.827 1.215 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 -2.796 -2.970 2.015 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 -1.633 -3.707 2.175 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -1.617 -0.231 -0.277 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -0.419 0.185 -0.871 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 -0.463 -3.296 1.538 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 0.753 -0.550 -0.710 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N MET A 1 -2.787 0.562 -0.353 0.00 0.00 -0.331 N ATOM 12 H MET A 1 -2.700 1.289 0.369 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA MET A 1 -3.110 1.211 -1.651 0.00 0.00 +0.180 C BRANCH 13 14 ATOM 14 C MET A 1 -2.755 2.700 -1.623 0.00 0.00 +0.325 C ATOM 15 O MET A 1 -2.313 3.315 -0.662 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 OXT MET A 1 -2.926 3.315 -2.810 0.00 0.00 -0.479 OA ATOM 17 HXT MET A 1 -2.726 4.256 -2.621 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 BRANCH 13 18 ATOM 18 CB MET A 1 -4.589 0.953 -1.985 0.00 0.00 +0.044 C BRANCH 18 19 ATOM 19 CG MET A 1 -5.610 1.369 -0.922 0.00 0.00 +0.071 C BRANCH 19 20 ATOM 20 SD MET A 1 -5.929 3.162 -0.909 0.00 0.00 -0.164 S ATOM 21 CE MET A 1 -7.094 3.219 0.475 0.00 0.00 +0.084 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 22 ATOM 22 N UNK A 0 2.002 -2.417 0.275 0.00 0.00 -0.192 N BRANCH 22 23 ATOM 23 S UNK A 0 2.975 -1.943 1.597 0.00 0.00 +0.075 S ATOM 24 O UNK A 0 4.120 -2.830 1.666 0.00 0.00 -0.150 OA ATOM 25 O UNK A 0 2.145 -1.734 2.764 0.00 0.00 -0.150 OA BRANCH 23 29 ATOM 26 C UNK A 0 4.623 2.159 0.403 0.00 0.00 +0.120 A ATOM 27 C UNK A 0 5.315 0.997 0.053 0.00 0.00 +0.047 A ATOM 28 C UNK A 0 4.812 -0.257 0.414 0.00 0.00 +0.032 A ATOM 29 C UNK A 0 3.604 -0.345 1.113 0.00 0.00 +0.109 A ATOM 30 C UNK A 0 2.922 0.812 1.494 0.00 0.00 +0.032 A ATOM 31 C UNK A 0 3.429 2.058 1.125 0.00 0.00 +0.047 A BRANCH 26 33 ATOM 32 C UNK A 0 6.248 3.606 -0.559 0.00 0.00 +0.277 C ATOM 33 O UNK A 0 5.002 3.439 0.106 0.00 0.00 -0.495 OA ENDBRANCH 26 33 ENDBRANCH 23 29 ENDBRANCH 22 23 BRANCH 22 34 ATOM 34 C UNK A 0 2.696 -2.885 -0.947 0.00 0.00 +0.251 C BRANCH 34 35 ATOM 35 C UNK A 0 3.507 -4.143 -0.753 0.00 0.00 +0.324 C ATOM 36 O UNK A 0 4.588 -4.372 -1.277 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 O UNK A 0 2.905 -5.072 0.016 0.00 0.00 -0.479 OA ATOM 38 H UNK A 0 3.577 -5.778 0.119 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 22 34 ENDBRANCH 1 22 TORSDOF 14