REMARK Name = BDB046550 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 -0.076 -1.923 0.025 0.00 0.00 +0.106 C ENDROOT BRANCH 1 2 ATOM 2 N UNK A 1 0.742 -0.732 -0.247 0.00 0.00 -0.310 N ATOM 3 H UNK A 1 0.425 0.157 0.122 0.00 0.00 +0.149 HD ATOM 4 C UNK A 1 2.083 -0.847 -0.562 0.00 0.00 +0.216 C ATOM 5 O UNK A 1 2.636 -1.923 -0.746 0.00 0.00 -0.276 OA BRANCH 4 6 ATOM 6 C UNK A 1 2.779 0.491 -0.661 0.00 0.00 +0.129 C BRANCH 6 7 ATOM 7 C UNK A 1 4.244 0.358 -1.068 0.00 0.00 +0.190 C BRANCH 7 8 ATOM 8 N UNK A 1 4.919 1.656 -0.886 0.00 0.00 -0.302 N ATOM 9 H UNK A 1 4.559 2.423 -1.445 0.00 0.00 +0.150 HD ATOM 10 C UNK A 0 6.264 1.710 -0.575 0.00 0.00 +0.214 C ATOM 11 O UNK A 0 6.917 0.722 -0.269 0.00 0.00 -0.276 OA BRANCH 10 12 ATOM 12 C UNK A 0 6.817 3.127 -0.645 0.00 0.00 +0.098 C BRANCH 12 13 ATOM 13 C UNK A 0 8.302 3.309 -0.297 0.00 0.00 -0.008 C ATOM 14 C UNK A 0 8.620 2.936 1.151 0.00 0.00 +0.008 C ATOM 15 C UNK A 0 9.231 2.586 -1.273 0.00 0.00 +0.008 C ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 7 8 BRANCH 7 16 ATOM 16 C UNK A 1 4.336 0.042 -2.558 0.00 0.00 +0.326 C ATOM 17 O UNK A 1 4.071 0.827 -3.460 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 O UNK A 1 4.756 -1.204 -2.834 0.00 0.00 -0.479 OA ATOM 19 H UNK A 1 4.784 -1.264 -3.809 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C UNK A 1 -1.556 -1.692 -0.415 0.00 0.00 +0.136 C BRANCH 20 21 ATOM 21 O UNK A 1 -2.301 -2.908 -0.433 0.00 0.00 -0.390 OA ATOM 22 H UNK A 1 -1.701 -3.644 -0.655 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C UNK A 1 -2.309 -0.673 0.455 0.00 0.00 +0.046 C BRANCH 23 24 ATOM 24 C UNK A 1 -3.631 -0.155 -0.162 0.00 0.00 +0.080 C BRANCH 24 27 ATOM 25 N UNK A 1 -5.111 1.783 0.029 0.00 0.00 -0.315 N ATOM 26 H UNK A 1 -5.568 1.382 -0.779 0.00 0.00 +0.149 HD ATOM 27 C UNK A 1 -4.145 1.030 0.662 0.00 0.00 +0.216 C ATOM 28 O UNK A 1 -3.720 1.291 1.783 0.00 0.00 -0.276 OA BRANCH 25 29 ATOM 29 C UNK A 1 -5.795 2.851 0.732 0.00 0.00 +0.107 C BRANCH 29 31 ATOM 30 C UNK A 1 -7.668 3.170 -0.961 0.00 0.00 +0.009 C ATOM 31 C UNK A 1 -6.524 3.835 -0.195 0.00 0.00 -0.000 C ATOM 32 C UNK A 1 -5.559 4.527 -1.159 0.00 0.00 +0.009 C ENDBRANCH 29 31 ENDBRANCH 25 29 ENDBRANCH 24 27 BRANCH 24 33 ATOM 33 C UNK A 1 -4.739 -1.209 -0.333 0.00 0.00 +0.040 C BRANCH 33 34 ATOM 34 C UNK A 1 -5.146 -1.918 0.955 0.00 0.00 +0.156 C BRANCH 34 35 ATOM 35 O UNK A 1 -6.186 -2.846 0.661 0.00 0.00 -0.395 OA ATOM 36 H UNK A 1 -5.782 -3.557 0.132 0.00 0.00 +0.209 HD ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C UNK A 1 0.112 -2.377 1.493 0.00 0.00 +0.060 C BRANCH 37 38 ATOM 38 C UNK A 1 -0.308 -3.802 1.756 0.00 0.00 -0.046 A ATOM 39 C UNK A 1 -1.480 -4.086 2.467 0.00 0.00 +0.004 A ATOM 40 C UNK A 1 -1.870 -5.408 2.687 0.00 0.00 +0.000 A ATOM 41 C UNK A 1 -1.090 -6.457 2.204 0.00 0.00 +0.000 A ATOM 42 C UNK A 1 0.083 -6.186 1.502 0.00 0.00 +0.000 A ATOM 43 C UNK A 1 0.473 -4.865 1.279 0.00 0.00 +0.004 A ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 20