REMARK Name = BDB062592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 0.125 -0.267 -0.687 0.00 0.00 +0.104 C ENDROOT BRANCH 1 5 ATOM 2 C UNK A 1 -4.031 -1.268 -0.067 0.00 0.00 +0.022 A ATOM 3 C UNK A 1 -3.026 -2.128 0.386 0.00 0.00 +0.012 A ATOM 4 C UNK A 1 -1.682 -1.800 0.191 0.00 0.00 +0.005 A ATOM 5 C UNK A 1 -1.327 -0.611 -0.464 0.00 0.00 -0.038 A ATOM 6 C UNK A 1 -2.342 0.231 -0.942 0.00 0.00 +0.005 A ATOM 7 C UNK A 1 -3.688 -0.096 -0.749 0.00 0.00 +0.012 A BRANCH 2 8 ATOM 8 C UNK A 1 -5.448 -1.659 0.149 0.00 0.00 +0.193 C ATOM 9 O UNK A 1 -5.754 -2.849 0.135 0.00 0.00 -0.287 OA BRANCH 8 13 ATOM 10 C UNK A 1 -8.560 1.214 0.831 0.00 0.00 +0.120 A ATOM 11 C UNK A 1 -7.289 1.434 1.362 0.00 0.00 +0.046 A ATOM 12 C UNK A 1 -6.263 0.505 1.147 0.00 0.00 +0.015 A ATOM 13 C UNK A 1 -6.505 -0.645 0.387 0.00 0.00 +0.022 A ATOM 14 C UNK A 1 -7.783 -0.878 -0.127 0.00 0.00 +0.015 A ATOM 15 C UNK A 1 -8.801 0.053 0.089 0.00 0.00 +0.046 A BRANCH 10 17 ATOM 16 C UNK A 1 -9.462 3.219 1.737 0.00 0.00 +0.277 C ATOM 17 O UNK A 1 -9.643 2.038 0.965 0.00 0.00 -0.495 OA ENDBRANCH 10 17 ENDBRANCH 8 13 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 18 ATOM 18 S UNK A 1 0.716 -0.909 -2.286 0.00 0.00 -0.154 S BRANCH 18 19 ATOM 19 C UNK A 1 2.380 -0.153 -2.330 0.00 0.00 +0.103 C BRANCH 19 20 ATOM 20 C UNK A 1 3.362 -0.639 -1.262 0.00 0.00 +0.194 C BRANCH 20 21 ATOM 21 N UNK A 1 4.600 0.140 -1.323 0.00 0.00 -0.267 N ATOM 22 H UNK A 1 5.164 0.076 -2.163 0.00 0.00 +0.153 HD ATOM 23 C UNK A 0 5.336 0.381 -0.203 0.00 0.00 +0.401 C ATOM 24 O UNK A 0 4.940 0.212 0.938 0.00 0.00 -0.226 OA BRANCH 23 25 ATOM 25 O UNK A 0 6.560 0.813 -0.576 0.00 0.00 -0.445 OA BRANCH 25 26 ATOM 26 C UNK A 0 7.569 1.132 0.418 0.00 0.00 +0.107 C ATOM 27 C UNK A 0 7.950 -0.105 1.239 0.00 0.00 +0.055 C ATOM 28 C UNK A 0 8.792 1.576 -0.398 0.00 0.00 +0.055 C ATOM 29 C UNK A 0 7.124 2.297 1.309 0.00 0.00 +0.055 C ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 20 21 BRANCH 20 30 ATOM 30 C UNK A 1 3.745 -2.095 -1.506 0.00 0.00 +0.326 C ATOM 31 O UNK A 1 4.589 -2.490 -2.298 0.00 0.00 -0.249 OA BRANCH 30 32 ATOM 32 O UNK A 1 3.050 -2.967 -0.749 0.00 0.00 -0.479 OA ATOM 33 H UNK A 1 3.387 -3.849 -1.015 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 20 30 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 12