REMARK Name = BDB053310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C PRO A 2 -1.566 -0.705 -0.772 0.00 0.00 +0.234 C ATOM 2 N UNK A 3 -0.330 -0.533 -0.204 0.00 0.00 -0.301 N ATOM 3 H UNK A 3 0.090 -1.256 0.372 0.00 0.00 +0.150 HD ATOM 4 O PRO A 2 -2.133 0.192 -1.394 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C UNK A 1 -4.708 -1.623 -0.719 0.00 0.00 +0.239 C ATOM 6 N PRO A 2 -3.532 -2.217 -1.116 0.00 0.00 -0.288 N ATOM 7 CA PRO A 2 -2.203 -2.087 -0.506 0.00 0.00 +0.162 C ATOM 8 CB PRO A 2 -1.396 -3.215 -1.158 0.00 0.00 +0.033 C ATOM 9 CG PRO A 2 -2.019 -3.336 -2.544 0.00 0.00 +0.021 C ATOM 10 CD PRO A 2 -3.495 -3.076 -2.288 0.00 0.00 +0.109 C ATOM 11 O UNK A 1 -5.769 -1.824 -1.324 0.00 0.00 -0.273 OA BRANCH 5 12 ATOM 12 C UNK A 1 -4.707 -0.743 0.542 0.00 0.00 +0.185 C BRANCH 12 15 ATOM 13 C UNK A 0 -6.928 2.359 0.625 0.00 0.00 +0.109 C ATOM 14 C UNK A 0 -5.762 1.474 0.984 0.00 0.00 +0.211 C ATOM 15 N UNK A 1 -5.793 0.235 0.398 0.00 0.00 -0.302 N ATOM 16 H UNK A 1 -6.502 0.012 -0.297 0.00 0.00 +0.150 HD ATOM 17 O UNK A 0 -4.868 1.840 1.744 0.00 0.00 -0.276 OA ENDBRANCH 12 15 BRANCH 12 18 ATOM 18 C UNK A 1 -4.913 -1.644 1.769 0.00 0.00 +0.204 C BRANCH 18 19 ATOM 19 O UNK A 1 -4.853 -0.929 2.995 0.00 0.00 -0.284 OA BRANCH 19 20 ATOM 20 P UNK A 1 -3.438 -0.358 3.475 0.00 0.00 +0.472 P ATOM 21 O UNK A 1 -2.268 -0.523 2.558 0.00 0.00 -0.228 OA BRANCH 20 22 ATOM 22 O UNK A 1 -3.767 1.138 3.912 0.00 0.00 -0.303 OA ATOM 23 H UNK A 1 -4.069 1.653 3.119 0.00 0.00 +0.222 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 O UNK A 1 -3.279 -1.036 4.913 0.00 0.00 -0.303 OA ATOM 25 H UNK A 1 -3.937 -0.650 5.518 0.00 0.00 +0.222 HD ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 5 12 ENDBRANCH 1 7 BRANCH 2 26 ATOM 26 C UNK A 3 0.371 0.749 -0.226 0.00 0.00 +0.184 C BRANCH 26 27 ATOM 27 C UNK A 3 1.882 0.464 -0.133 0.00 0.00 +0.236 C ATOM 28 N UNK A 3 2.703 1.557 -0.268 0.00 0.00 -0.302 N ATOM 29 H UNK A 3 2.328 2.504 -0.292 0.00 0.00 +0.150 HD ATOM 30 O UNK A 3 2.331 -0.677 -0.007 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C UNK A 3 4.159 1.448 -0.177 0.00 0.00 +0.163 C BRANCH 31 32 ATOM 32 C UNK A 3 4.664 2.789 0.373 0.00 0.00 +0.231 C ATOM 33 O UNK A 3 4.003 3.825 0.314 0.00 0.00 -0.274 OA ATOM 34 N UNK A 3 5.903 2.784 0.941 0.00 0.00 -0.328 N ATOM 35 H UNK A 3 6.268 3.658 1.290 0.00 0.00 +0.145 HD ATOM 36 H UNK A 3 6.534 1.990 0.871 0.00 0.00 +0.145 HD ENDBRANCH 31 32 BRANCH 31 37 ATOM 37 C UNK A 3 4.763 1.132 -1.553 0.00 0.00 +0.067 C BRANCH 37 38 ATOM 38 C UNK A 3 6.210 0.703 -1.496 0.00 0.00 -0.045 A ATOM 39 C UNK A 3 6.548 -0.576 -1.021 0.00 0.00 +0.004 A ATOM 40 C UNK A 3 7.886 -0.966 -0.928 0.00 0.00 +0.000 A ATOM 41 C UNK A 3 8.895 -0.083 -1.316 0.00 0.00 +0.000 A ATOM 42 C UNK A 3 8.569 1.188 -1.795 0.00 0.00 +0.000 A ATOM 43 C UNK A 3 7.232 1.579 -1.886 0.00 0.00 +0.004 A ENDBRANCH 37 38 ENDBRANCH 31 37 ENDBRANCH 28 31 ENDBRANCH 26 27 BRANCH 26 44 ATOM 44 C UNK A 3 -0.123 1.672 0.896 0.00 0.00 +0.187 C BRANCH 44 45 ATOM 45 O UNK A 3 -0.024 1.046 2.175 0.00 0.00 -0.393 OA ATOM 46 H UNK A 3 -0.747 0.378 2.222 0.00 0.00 +0.209 HD ENDBRANCH 44 45 ENDBRANCH 26 44 ENDBRANCH 2 26 TORSDOF 16