REMARK Name = BDB024409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.126 -1.751 0.492 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.008 -2.239 1.638 0.00 0.00 -0.019 A ATOM 3 C LIG 1 -4.028 -3.167 1.363 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -4.878 -3.602 2.375 0.00 0.00 +0.124 A ATOM 5 F LIG 1 -5.842 -4.487 2.090 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -4.746 -3.128 3.673 0.00 0.00 +0.038 A ATOM 7 C LIG 1 -3.750 -2.199 3.963 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.892 -1.753 2.952 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 -0.022 -0.596 -0.067 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.552 -0.242 -0.848 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -0.652 -1.394 0.866 0.00 0.00 +0.240 C ATOM 12 O LIG 1 -0.097 -1.846 1.866 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 3.841 1.012 -0.289 0.00 0.00 +0.048 A ATOM 14 C LIG 1 2.784 1.247 -1.176 0.00 0.00 +0.136 A ATOM 15 N LIG 1 1.535 0.713 -1.101 0.00 0.00 -0.238 NA ATOM 16 C LIG 1 1.279 -0.101 -0.063 0.00 0.00 +0.125 A ATOM 17 C LIG 1 2.230 -0.389 0.897 0.00 0.00 +0.045 A ATOM 18 C LIG 1 3.507 0.177 0.780 0.00 0.00 +0.028 A BRANCH 13 24 ATOM 19 C LIG 1 9.498 -1.130 -0.186 0.00 0.00 +0.109 C ATOM 20 C LIG 1 8.588 -0.711 -1.312 0.00 0.00 +0.213 C ATOM 21 N LIG 1 7.490 0.075 -0.982 0.00 0.00 -0.299 N ATOM 22 C LIG 1 6.506 0.332 -2.044 0.00 0.00 +0.126 C ATOM 23 C LIG 1 5.686 1.613 -1.805 0.00 0.00 +0.124 C ATOM 24 N LIG 1 5.090 1.611 -0.445 0.00 0.00 -0.326 N ATOM 25 C LIG 1 6.132 1.482 0.595 0.00 0.00 +0.124 C ATOM 26 C LIG 1 6.984 0.213 0.393 0.00 0.00 +0.126 C ATOM 27 O LIG 1 8.837 -1.050 -2.469 0.00 0.00 -0.276 OA ENDBRANCH 13 24 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 28 ATOM 28 N LIG 1 -2.821 -0.713 -0.309 0.00 0.00 -0.301 NA ATOM 29 H LIG 1 -2.414 -0.617 -1.233 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.020 0.576 0.364 0.00 0.00 +0.089 C BRANCH 30 31 ATOM 31 C LIG 1 -3.727 1.658 -0.504 0.00 0.00 +0.030 C ATOM 32 C LIG 1 -3.030 1.852 -1.858 0.00 0.00 +0.014 C BRANCH 31 33 ATOM 33 C LIG 1 -5.233 1.507 -0.693 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -5.988 2.646 -1.027 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -7.371 2.567 -1.218 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -8.027 1.343 -1.079 0.00 0.00 +0.052 A ATOM 37 C LIG 1 -7.292 0.203 -0.747 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -5.908 0.286 -0.557 0.00 0.00 +0.005 A BRANCH 36 39 ATOM 39 C LIG 1 -9.444 1.257 -1.274 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -10.593 1.193 -1.433 0.00 0.00 -0.191 NA ENDBRANCH 36 39 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 9