REMARK Name = BDB057483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -3.234 -0.094 -3.057 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.965 -1.433 -3.754 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -3.409 -2.537 -3.477 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -2.216 -1.309 -4.875 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -2.207 -2.223 -5.232 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.986 -0.172 -1.782 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -4.442 0.731 -1.590 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.526 -0.715 -0.579 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -4.118 -0.320 0.647 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.701 -0.859 1.877 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -2.725 -1.848 1.907 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.174 -2.296 0.713 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -2.579 -1.744 -0.510 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.163 0.739 0.659 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -5.002 1.747 -0.029 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.398 0.592 1.472 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -6.965 -0.663 1.727 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.132 -0.757 2.488 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.739 0.396 2.985 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.187 1.649 2.717 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.021 1.748 1.956 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 -2.057 0.904 -3.028 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 1.426 -0.123 -0.665 0.00 0.00 +0.121 A ATOM 24 C LIG 1 0.443 0.727 -0.156 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -0.676 1.065 -0.920 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -0.839 0.546 -2.209 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.157 -0.293 -2.723 0.00 0.00 +0.007 A ATOM 28 C LIG 1 1.280 -0.628 -1.956 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 2.465 -0.359 0.189 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 3.516 -1.241 -0.218 0.00 0.00 +0.235 C BRANCH 30 31 ATOM 31 C LIG 1 4.575 -0.523 -1.054 0.00 0.00 +0.097 C BRANCH 31 34 ATOM 32 C LIG 1 4.073 2.584 -0.217 0.00 0.00 +0.053 C ATOM 33 C LIG 1 5.217 1.693 0.115 0.00 0.00 +0.011 A ATOM 34 C LIG 1 5.444 0.373 -0.226 0.00 0.00 +0.057 A ATOM 35 N LIG 1 6.625 -0.157 0.269 0.00 0.00 -0.229 NA ATOM 36 C LIG 1 7.295 0.721 0.988 0.00 0.00 +0.161 A ATOM 37 S LIG 1 6.507 2.262 1.082 0.00 0.00 -0.057 S BRANCH 36 38 ATOM 38 N LIG 1 8.501 0.445 1.578 0.00 0.00 -0.316 N ATOM 39 C LIG 1 8.920 -0.952 1.556 0.00 0.00 +0.131 C ATOM 40 C LIG 1 8.934 1.218 2.733 0.00 0.00 +0.131 C ENDBRANCH 36 38 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 13