REMARK Name = BDB027438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.631 0.187 0.963 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.320 0.526 -0.009 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.159 1.770 -0.628 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.839 2.650 -0.370 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.758 2.305 0.561 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.679 1.087 1.235 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.833 3.295 0.795 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.477 3.422 2.040 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.487 4.365 2.228 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.077 4.459 3.428 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.878 5.200 1.191 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.850 6.103 1.379 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.261 5.107 -0.047 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.246 4.163 -0.240 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.379 -0.362 -0.306 0.00 0.00 -0.326 N ATOM 16 C LIG 1 2.658 0.125 0.293 0.00 0.00 +0.133 C ATOM 17 C LIG 1 3.920 -0.690 -0.196 0.00 0.00 +0.076 C ATOM 18 C LIG 1 3.446 -2.030 -0.810 0.00 0.00 +0.031 C ATOM 19 C LIG 1 2.435 -1.843 -1.950 0.00 0.00 +0.021 C ATOM 20 C LIG 1 1.492 -0.655 -1.746 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 4.749 0.086 -1.235 0.00 0.00 +0.081 A ATOM 22 N LIG 1 4.232 1.212 -1.798 0.00 0.00 -0.255 NA ATOM 23 C LIG 1 5.005 1.836 -2.719 0.00 0.00 +0.131 A ATOM 24 C LIG 1 6.252 1.366 -3.084 0.00 0.00 +0.130 A ATOM 25 N LIG 1 6.784 0.250 -2.545 0.00 0.00 -0.260 NA ATOM 26 C LIG 1 6.012 -0.372 -1.619 0.00 0.00 +0.136 A ENDBRANCH 17 21 BRANCH 17 27 ATOM 27 N LIG 1 4.779 -1.021 0.976 0.00 0.00 -0.319 NA ATOM 28 H LIG 1 4.231 -1.549 1.655 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 5.046 -0.153 1.444 0.00 0.00 +0.119 HD ENDBRANCH 17 27 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -0.593 -1.133 1.692 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -4.393 -3.897 0.524 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -3.070 -3.428 0.456 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -1.981 -3.815 -0.301 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -1.010 -3.009 0.076 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -1.421 -2.124 1.037 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -2.735 -2.388 1.309 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -3.533 -1.780 2.204 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -4.769 -2.320 2.185 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -5.234 -3.330 1.418 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -4.875 -4.933 -0.266 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -5.679 -5.385 0.148 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -4.143 -5.521 -0.648 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 7