REMARK Name = BDB058752 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -2.042 4.073 0.148 0.00 0.00 +0.046 C ATOM 2 C UNK A 0 -2.359 2.758 -0.477 0.00 0.00 -0.022 A ATOM 3 C UNK A 0 -1.429 1.715 -0.778 0.00 0.00 +0.004 A ATOM 4 C UNK A 0 -2.144 0.661 -1.352 0.00 0.00 +0.050 A ATOM 5 C UNK A 0 -1.510 -0.524 -1.766 0.00 0.00 +0.027 A ATOM 6 C UNK A 0 -0.126 -0.639 -1.587 0.00 0.00 +0.015 A ATOM 7 C UNK A 0 0.608 0.395 -1.004 0.00 0.00 +0.037 A ATOM 8 N UNK A 0 -3.473 1.050 -1.396 0.00 0.00 -0.339 N ATOM 9 C UNK A 0 -0.034 1.577 -0.610 0.00 0.00 +0.023 A ATOM 10 C UNK A 0 -3.613 2.324 -0.879 0.00 0.00 +0.020 A ATOM 11 C UNK A 0 -4.926 3.026 -0.790 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C UNK A 0 2.080 0.301 -0.800 0.00 0.00 +0.245 C ATOM 13 N TYR A 1 2.607 -0.962 -0.654 0.00 0.00 -0.298 N ATOM 14 H TYR A 1 2.008 -1.777 -0.574 0.00 0.00 +0.150 HD ATOM 15 O UNK A 0 2.773 1.311 -0.739 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 CA TYR A 1 4.036 -1.169 -0.419 0.00 0.00 +0.186 C BRANCH 16 17 ATOM 17 C TYR A 1 4.351 -2.620 -0.791 0.00 0.00 +0.326 C ATOM 18 O TYR A 1 3.513 -3.515 -0.789 0.00 0.00 -0.249 OA BRANCH 17 19 ATOM 19 OXT TYR A 1 5.643 -2.848 -1.122 0.00 0.00 -0.479 OA ATOM 20 HXT TYR A 1 6.224 -2.063 -1.048 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 16 17 BRANCH 16 21 ATOM 21 CB TYR A 1 4.410 -0.897 1.045 0.00 0.00 +0.069 C BRANCH 21 22 ATOM 22 CG TYR A 1 5.888 -0.633 1.215 0.00 0.00 -0.045 A ATOM 23 CD2 TYR A 1 6.739 -1.620 1.729 0.00 0.00 +0.007 A ATOM 24 CE2 TYR A 1 8.108 -1.377 1.843 0.00 0.00 +0.045 A ATOM 25 CZ TYR A 1 8.627 -0.148 1.452 0.00 0.00 +0.117 A ATOM 26 CE1 TYR A 1 7.798 0.847 0.945 0.00 0.00 +0.045 A ATOM 27 CD1 TYR A 1 6.428 0.603 0.827 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 OH TYR A 1 9.970 0.044 1.582 0.00 0.00 -0.507 OA ATOM 29 HH TYR A 1 10.179 0.958 1.327 0.00 0.00 +0.292 HD ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 16 21 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 30 ATOM 30 C UNK A 0 -4.557 0.240 -1.956 0.00 0.00 +0.157 C BRANCH 30 31 ATOM 31 C UNK A 0 -5.441 -0.379 -0.896 0.00 0.00 -0.027 A ATOM 32 C UNK A 0 -4.904 -1.101 0.182 0.00 0.00 +0.017 A ATOM 33 C UNK A 0 -5.735 -1.697 1.146 0.00 0.00 +0.055 A ATOM 34 C UNK A 0 -7.125 -1.560 1.021 0.00 0.00 +0.012 A ATOM 35 C UNK A 0 -7.671 -0.858 -0.053 0.00 0.00 +0.001 A ATOM 36 C UNK A 0 -6.835 -0.277 -1.007 0.00 0.00 +0.005 A BRANCH 33 37 ATOM 37 C UNK A 0 -5.139 -2.441 2.316 0.00 0.00 +0.417 C ATOM 38 F UNK A 0 -4.879 -1.624 3.374 0.00 0.00 -0.166 F ATOM 39 F UNK A 0 -5.953 -3.424 2.795 0.00 0.00 -0.166 F ATOM 40 F UNK A 0 -3.960 -3.054 2.015 0.00 0.00 -0.166 F ENDBRANCH 33 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 10