REMARK Name = BDB062603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 -0.430 -0.855 1.500 0.00 0.00 +0.194 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 1 -1.556 -1.157 0.501 0.00 0.00 +0.210 C BRANCH 2 4 ATOM 3 C UNK A 0 -3.946 -0.637 0.252 0.00 0.00 +0.401 C ATOM 4 N UNK A 1 -2.712 -0.297 0.708 0.00 0.00 -0.266 N ATOM 5 H UNK A 1 -2.569 0.678 0.932 0.00 0.00 +0.153 HD ATOM 6 O UNK A 0 -4.231 -1.721 -0.230 0.00 0.00 -0.226 OA BRANCH 3 7 ATOM 7 O UNK A 0 -4.774 0.419 0.408 0.00 0.00 -0.445 OA BRANCH 7 9 ATOM 8 C UNK A 0 -6.266 0.127 -1.529 0.00 0.00 +0.055 C ATOM 9 C UNK A 0 -6.159 0.342 -0.015 0.00 0.00 +0.107 C ATOM 10 C UNK A 0 -6.749 1.719 0.327 0.00 0.00 +0.055 C ATOM 11 C UNK A 0 -6.924 -0.728 0.771 0.00 0.00 +0.055 C ENDBRANCH 7 9 ENDBRANCH 3 7 ENDBRANCH 2 4 BRANCH 2 12 ATOM 12 C UNK A 1 -1.038 -1.064 -0.933 0.00 0.00 +0.328 C ATOM 13 O UNK A 1 -1.226 -0.159 -1.731 0.00 0.00 -0.249 OA BRANCH 12 14 ATOM 14 O UNK A 1 -0.273 -2.122 -1.278 0.00 0.00 -0.479 OA ATOM 15 H UNK A 1 -0.031 -1.954 -2.213 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 2 12 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 O UNK A 1 -0.291 0.528 1.860 0.00 0.00 -0.373 OA BRANCH 16 17 ATOM 17 C UNK A 1 0.305 1.382 0.882 0.00 0.00 +0.195 C BRANCH 17 18 ATOM 18 C UNK A 1 1.731 1.021 0.551 0.00 0.00 -0.022 A ATOM 19 C UNK A 1 2.671 0.821 1.569 0.00 0.00 +0.006 A ATOM 20 C UNK A 1 3.995 0.495 1.259 0.00 0.00 +0.009 A ATOM 21 C UNK A 1 4.418 0.371 -0.073 0.00 0.00 -0.018 A ATOM 22 C UNK A 1 3.471 0.587 -1.087 0.00 0.00 +0.009 A ATOM 23 C UNK A 1 2.145 0.911 -0.781 0.00 0.00 +0.006 A BRANCH 21 24 ATOM 24 C UNK A 1 5.812 0.027 -0.399 0.00 0.00 -0.018 A ATOM 25 C UNK A 1 6.423 -1.113 0.151 0.00 0.00 +0.008 A ATOM 26 C UNK A 1 7.746 -1.441 -0.158 0.00 0.00 +0.001 A ATOM 27 C UNK A 1 8.482 -0.633 -1.022 0.00 0.00 +0.000 A ATOM 28 C UNK A 1 7.896 0.501 -1.577 0.00 0.00 +0.001 A ATOM 29 C UNK A 1 6.572 0.827 -1.268 0.00 0.00 +0.008 A ENDBRANCH 21 24 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10