REMARK Name = BDB057506 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.083 -0.458 -1.204 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.117 -1.007 -2.647 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -3.024 -1.690 -3.104 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -1.039 -0.672 -3.399 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -0.352 -0.161 -2.928 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.465 -0.386 -0.671 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -4.150 -0.597 -1.418 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.887 0.715 0.092 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.257 1.054 0.176 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -5.703 2.120 0.977 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -4.796 2.830 1.756 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.452 2.476 1.738 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.008 1.425 0.925 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -6.258 0.322 -0.636 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -6.046 0.174 -1.838 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -7.496 -0.227 -0.023 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -8.616 -0.422 -0.841 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -9.796 -0.939 -0.305 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -9.858 -1.272 1.048 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.741 -1.097 1.864 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.558 -0.579 1.331 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -1.252 -1.408 -0.324 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 3.000 -0.969 -1.020 0.00 0.00 +0.121 A ATOM 24 C LIG 1 2.319 -0.047 -0.228 0.00 0.00 +0.046 A ATOM 25 C LIG 1 0.947 -0.196 0.007 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.238 -1.269 -0.547 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.927 -2.197 -1.335 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.295 -2.042 -1.569 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 4.330 -0.951 -1.332 0.00 0.00 -0.489 OA BRANCH 29 30 ATOM 30 C LIG 1 5.145 0.102 -0.818 0.00 0.00 +0.270 C BRANCH 30 31 ATOM 31 C LIG 1 5.670 -0.233 0.577 0.00 0.00 +0.270 C BRANCH 31 32 ATOM 32 O LIG 1 6.485 0.822 1.088 0.00 0.00 -0.489 OA BRANCH 32 35 ATOM 33 C LIG 1 9.924 1.961 1.239 0.00 0.00 +0.055 A ATOM 34 C LIG 1 8.543 1.841 1.429 0.00 0.00 +0.064 A ATOM 35 C LIG 1 7.824 0.811 0.816 0.00 0.00 +0.122 A ATOM 36 C LIG 1 8.498 -0.101 0.003 0.00 0.00 +0.046 A ATOM 37 C LIG 1 9.879 0.014 -0.190 0.00 0.00 +0.005 A ATOM 38 C LIG 1 10.592 1.042 0.426 0.00 0.00 +0.019 A BRANCH 33 40 ATOM 39 N LIG 1 11.236 3.880 2.388 0.00 0.00 -0.191 NA ATOM 40 C LIG 1 10.648 3.021 1.875 0.00 0.00 +0.099 C ENDBRANCH 33 40 ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 14