REMARK Name = BDB003729 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N UNK A 0 -1.222 2.950 -1.009 0.00 0.00 -0.327 N ATOM 2 C UNK A 0 -1.212 1.623 -0.643 0.00 0.00 +0.072 A ATOM 3 C UNK A 0 0.121 1.245 -0.771 0.00 0.00 +0.110 A ATOM 4 C UNK A 0 0.521 -0.071 -0.452 0.00 0.00 +0.057 A ATOM 5 C UNK A 0 -0.485 -0.968 -0.034 0.00 0.00 +0.048 A ATOM 6 C UNK A 0 -1.837 -0.604 0.065 0.00 0.00 +0.031 A ATOM 7 N UNK A 0 0.897 2.303 -1.194 0.00 0.00 -0.234 NA ATOM 8 C UNK A 0 -2.201 0.728 -0.213 0.00 0.00 +0.051 A ATOM 9 C UNK A 0 0.061 3.305 -1.332 0.00 0.00 +0.200 A ENDROOT BRANCH 1 11 ATOM 10 C UNK A 0 -2.654 4.337 -2.471 0.00 0.00 +0.030 C ATOM 11 C UNK A 0 -2.381 3.834 -1.053 0.00 0.00 +0.083 C ATOM 12 C UNK A 0 -2.242 4.994 -0.067 0.00 0.00 +0.030 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N ALA A 1 -2.843 -1.456 0.544 0.00 0.00 -0.339 N ATOM 14 H ALA A 1 -3.748 -1.207 0.151 0.00 0.00 +0.146 HD BRANCH 13 15 ATOM 15 CA ALA A 1 -2.631 -2.905 0.662 0.00 0.00 +0.093 C ATOM 16 CB ALA A 1 -3.978 -3.611 0.455 0.00 0.00 +0.030 C BRANCH 15 17 ATOM 17 C ALA A 1 -2.054 -3.252 2.051 0.00 0.00 +0.177 C BRANCH 17 18 ATOM 18 O ALA A 1 -1.768 -4.644 2.176 0.00 0.00 -0.393 OA ATOM 19 H ALA A 1 -2.604 -5.096 2.383 0.00 0.00 +0.209 HD ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 20 ATOM 20 N UNK A 0 1.871 -0.473 -0.574 0.00 0.00 -0.338 N ATOM 21 H UNK A 0 2.391 0.343 -0.914 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C UNK A 0 2.454 -0.953 0.676 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C UNK A 0 3.948 -1.101 0.503 0.00 0.00 -0.030 A ATOM 24 C UNK A 0 4.829 -0.149 1.037 0.00 0.00 +0.005 A ATOM 25 C UNK A 0 6.207 -0.287 0.866 0.00 0.00 +0.000 A ATOM 26 C UNK A 0 6.718 -1.371 0.155 0.00 0.00 +0.000 A ATOM 27 C UNK A 0 5.852 -2.317 -0.391 0.00 0.00 +0.000 A ATOM 28 C UNK A 0 4.474 -2.181 -0.221 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 4 20 TORSDOF 8