REMARK Name = BDB058775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 1.343 1.174 2.398 0.00 0.00 +0.056 A ATOM 2 C UNK A 0 1.458 1.950 1.220 0.00 0.00 +0.006 A ATOM 3 C UNK A 0 0.417 1.878 0.251 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 0.536 2.698 -0.899 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 1.637 3.527 -1.118 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 2.659 3.570 -0.186 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -0.698 1.001 0.456 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -0.785 0.299 1.665 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 2.568 2.796 0.969 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 0.229 0.370 2.616 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 N UNK A 0 2.376 1.153 3.385 0.00 0.00 -0.216 N ATOM 12 H UNK A 0 2.869 2.019 3.593 0.00 0.00 +0.174 HD BRANCH 11 13 ATOM 13 S UNK A 0 3.351 -0.216 3.531 0.00 0.00 +0.072 S ATOM 14 O UNK A 0 2.527 -1.363 3.851 0.00 0.00 -0.150 OA ATOM 15 O UNK A 0 4.454 0.173 4.385 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C UNK A 0 5.039 -0.822 -0.676 0.00 0.00 +0.120 A ATOM 17 C UNK A 0 5.729 -0.036 0.250 0.00 0.00 +0.047 A ATOM 18 C UNK A 0 5.214 0.149 1.538 0.00 0.00 +0.032 A ATOM 19 C UNK A 0 4.000 -0.446 1.891 0.00 0.00 +0.109 A ATOM 20 C UNK A 0 3.316 -1.254 0.981 0.00 0.00 +0.032 A ATOM 21 C UNK A 0 3.836 -1.429 -0.302 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C UNK A 0 6.644 -0.481 -2.398 0.00 0.00 +0.277 C ATOM 23 O UNK A 0 5.430 -1.078 -1.961 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 TYR A 1 -1.717 0.937 -0.518 0.00 0.00 -0.331 N ATOM 25 H TYR A 1 -1.287 0.911 -1.446 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 CA TYR A 1 -2.806 -0.068 -0.446 0.00 0.00 +0.184 C BRANCH 26 27 ATOM 27 C TYR A 1 -2.272 -1.454 -0.816 0.00 0.00 +0.326 C ATOM 28 O TYR A 1 -1.665 -1.743 -1.838 0.00 0.00 -0.249 OA BRANCH 27 29 ATOM 29 OXT TYR A 1 -2.521 -2.392 0.121 0.00 0.00 -0.479 OA ATOM 30 HXT TYR A 1 -2.128 -3.212 -0.245 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 CB TYR A 1 -3.899 0.330 -1.457 0.00 0.00 +0.068 C BRANCH 31 32 ATOM 32 CG TYR A 1 -5.154 -0.506 -1.343 0.00 0.00 -0.045 A ATOM 33 CD2 TYR A 1 -5.390 -1.558 -2.239 0.00 0.00 +0.007 A ATOM 34 CE2 TYR A 1 -6.538 -2.342 -2.118 0.00 0.00 +0.045 A ATOM 35 CZ TYR A 1 -7.450 -2.077 -1.105 0.00 0.00 +0.117 A ATOM 36 CE1 TYR A 1 -7.235 -1.037 -0.206 0.00 0.00 +0.045 A ATOM 37 CD1 TYR A 1 -6.086 -0.253 -0.326 0.00 0.00 +0.007 A BRANCH 35 38 ATOM 38 OH TYR A 1 -8.557 -2.869 -1.024 0.00 0.00 -0.507 OA ATOM 39 HH TYR A 1 -9.102 -2.564 -0.280 0.00 0.00 +0.292 HD ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 24 26 ENDBRANCH 7 24 TORSDOF 11