REMARK Name = BDB028439 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.567 2.954 1.299 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.489 1.601 1.665 0.00 0.00 +0.019 A ATOM 3 C LIG 1 0.619 1.214 3.003 0.00 0.00 +0.012 A ATOM 4 C LIG 1 0.873 2.182 3.972 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.082 1.764 5.368 0.00 0.00 +0.272 A ATOM 6 N LIG 1 1.022 0.413 5.608 0.00 0.00 -0.242 N ATOM 7 H LIG 1 1.162 0.108 6.567 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 0.719 -0.551 4.698 0.00 0.00 -0.174 NA ATOM 9 O LIG 1 1.311 2.580 6.253 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 0.955 3.534 3.622 0.00 0.00 +0.014 A ATOM 11 C LIG 1 0.505 -0.192 3.465 0.00 0.00 +0.086 A ATOM 12 C LIG 1 0.796 3.918 2.289 0.00 0.00 +0.009 A ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 -0.979 3.509 -3.410 0.00 0.00 +0.173 C ATOM 14 N LIG 1 -0.250 3.592 -2.165 0.00 0.00 -0.266 N ATOM 15 C LIG 1 -0.526 2.924 -0.990 0.00 0.00 +0.077 A ATOM 16 C LIG 1 0.438 3.363 -0.090 0.00 0.00 +0.027 A ATOM 17 C LIG 1 1.222 4.280 -0.825 0.00 0.00 +0.143 A ATOM 18 N LIG 1 0.816 4.410 -2.087 0.00 0.00 -0.179 NA BRANCH 15 19 ATOM 19 C LIG 1 -1.642 1.988 -0.832 0.00 0.00 +0.018 A ATOM 20 C LIG 1 -2.813 2.326 -0.137 0.00 0.00 +0.061 A ATOM 21 C LIG 1 -3.828 1.371 0.014 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.679 0.086 -0.514 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -2.516 -0.273 -1.206 0.00 0.00 -0.041 A ATOM 24 C LIG 1 -1.509 0.692 -1.361 0.00 0.00 +0.015 A BRANCH 23 25 ATOM 25 C LIG 1 -2.306 -1.661 -1.765 0.00 0.00 +0.047 C ATOM 26 C LIG 1 -2.311 -2.784 -0.730 0.00 0.00 +0.168 C ATOM 27 O LIG 1 -2.786 -3.971 -1.389 0.00 0.00 -0.379 OA ATOM 28 C LIG 1 -3.161 -3.627 -2.729 0.00 0.00 +0.160 C ATOM 29 C LIG 1 -3.371 -2.129 -2.742 0.00 0.00 +0.038 C ENDBRANCH 23 25 BRANCH 20 30 ATOM 30 C LIG 1 -3.007 3.630 0.431 0.00 0.00 +0.100 C ATOM 31 N LIG 1 -3.192 4.676 0.898 0.00 0.00 -0.191 NA ENDBRANCH 20 30 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 11 32 ATOM 32 C LIG 1 0.114 -1.294 2.485 0.00 0.00 +0.165 C BRANCH 32 33 ATOM 33 N LIG 1 1.311 -1.864 1.916 0.00 0.00 -0.275 N ATOM 34 H LIG 1 1.982 -2.318 2.522 0.00 0.00 +0.152 HD ATOM 35 C LIG 1 1.592 -1.856 0.588 0.00 0.00 +0.401 C ATOM 36 O LIG 1 0.885 -1.351 -0.270 0.00 0.00 -0.226 OA BRANCH 35 37 ATOM 37 O LIG 1 2.765 -2.493 0.385 0.00 0.00 -0.445 OA BRANCH 37 38 ATOM 38 C LIG 1 3.299 -2.648 -0.956 0.00 0.00 +0.107 C ATOM 39 C LIG 1 3.626 -1.290 -1.585 0.00 0.00 +0.055 C ATOM 40 C LIG 1 4.607 -3.432 -0.767 0.00 0.00 +0.055 C ATOM 41 C LIG 1 2.355 -3.475 -1.838 0.00 0.00 +0.055 C ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 32 33 ENDBRANCH 11 32 TORSDOF 8