REMARK Name = BDB058777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.915 -1.035 0.083 0.00 0.00 +0.060 A ATOM 2 C UNK A 0 0.231 -2.260 -0.151 0.00 0.00 +0.007 A ATOM 3 C UNK A 0 -1.187 -2.226 -0.320 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 -1.853 -3.450 -0.581 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 -1.183 -4.670 -0.655 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 0.186 -4.705 -0.479 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -1.898 -0.984 -0.241 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -1.163 0.198 -0.108 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 0.879 -3.520 -0.236 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 0.218 0.173 0.059 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N PHE A 1 -3.298 -0.973 -0.404 0.00 0.00 -0.331 N ATOM 12 H PHE A 1 -3.707 -1.758 0.106 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA PHE A 1 -4.111 0.249 -0.182 0.00 0.00 +0.184 C BRANCH 13 14 ATOM 14 C PHE A 1 -4.231 0.535 1.316 0.00 0.00 +0.326 C ATOM 15 O PHE A 1 -4.666 -0.230 2.165 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 OXT PHE A 1 -3.780 1.758 1.667 0.00 0.00 -0.479 OA ATOM 17 HXT PHE A 1 -3.927 1.797 2.636 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 BRANCH 13 18 ATOM 18 CB PHE A 1 -5.519 0.006 -0.758 0.00 0.00 +0.068 C BRANCH 18 19 ATOM 19 CG PHE A 1 -6.384 1.245 -0.762 0.00 0.00 -0.045 A ATOM 20 CD2 PHE A 1 -7.348 1.443 0.235 0.00 0.00 +0.004 A ATOM 21 CE2 PHE A 1 -8.131 2.599 0.241 0.00 0.00 +0.000 A ATOM 22 CZ PHE A 1 -7.957 3.565 -0.748 0.00 0.00 +0.000 A ATOM 23 CE1 PHE A 1 -7.001 3.377 -1.744 0.00 0.00 +0.000 A ATOM 24 CD1 PHE A 1 -6.217 2.223 -1.753 0.00 0.00 +0.004 A ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 25 ATOM 25 N UNK A 0 2.349 -0.901 0.301 0.00 0.00 -0.192 N BRANCH 25 26 ATOM 26 S UNK A 0 3.271 -0.929 -1.160 0.00 0.00 +0.075 S ATOM 27 O UNK A 0 2.642 -0.046 -2.119 0.00 0.00 -0.150 OA ATOM 28 O UNK A 0 3.582 -2.304 -1.484 0.00 0.00 -0.150 OA BRANCH 26 32 ATOM 29 C UNK A 0 7.159 1.129 0.090 0.00 0.00 +0.120 A ATOM 30 C UNK A 0 7.101 -0.266 -0.011 0.00 0.00 +0.047 A ATOM 31 C UNK A 0 5.920 -0.906 -0.392 0.00 0.00 +0.032 A ATOM 32 C UNK A 0 4.787 -0.139 -0.663 0.00 0.00 +0.109 A ATOM 33 C UNK A 0 4.837 1.256 -0.591 0.00 0.00 +0.032 A ATOM 34 C UNK A 0 6.025 1.887 -0.207 0.00 0.00 +0.047 A BRANCH 29 36 ATOM 35 C UNK A 0 8.469 3.024 0.679 0.00 0.00 +0.277 C ATOM 36 O UNK A 0 8.377 1.620 0.472 0.00 0.00 -0.495 OA ENDBRANCH 29 36 ENDBRANCH 26 32 ENDBRANCH 25 26 BRANCH 25 37 ATOM 37 C UNK A 0 2.923 -1.682 1.448 0.00 0.00 +0.251 C BRANCH 37 38 ATOM 38 C UNK A 0 3.599 -0.745 2.430 0.00 0.00 +0.324 C ATOM 39 O UNK A 0 4.397 -1.107 3.281 0.00 0.00 -0.249 OA BRANCH 38 40 ATOM 40 O UNK A 0 3.193 0.543 2.311 0.00 0.00 -0.479 OA ATOM 41 H UNK A 0 2.554 0.610 1.571 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 25 37 ENDBRANCH 1 25 TORSDOF 13