REMARK Name = BDB035851 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.695 0.574 -1.278 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.014 0.238 -0.120 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.362 -0.158 0.967 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.438 0.433 -0.416 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.527 0.233 0.413 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.803 0.487 -0.107 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.935 0.926 -1.448 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.816 1.125 -2.278 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.563 0.868 -1.730 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.207 0.976 -2.349 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.392 0.203 -0.519 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.978 0.238 -0.389 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.107 0.554 -1.445 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.680 0.860 -2.685 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.062 0.848 -2.857 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.899 0.526 -1.790 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 6.856 1.314 1.213 0.00 0.00 +0.120 C ATOM 18 C LIG 1 6.894 -0.107 0.618 0.00 0.00 +0.051 C ATOM 19 C LIG 1 5.333 -0.171 0.747 0.00 0.00 +0.060 C ATOM 20 C LIG 1 5.477 0.973 1.812 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 4.909 -1.567 1.378 0.00 0.00 +0.144 A ATOM 22 N LIG 1 4.706 -2.752 0.725 0.00 0.00 -0.320 N ATOM 23 C LIG 1 4.819 -3.023 -0.682 0.00 0.00 +0.151 C ATOM 24 C LIG 1 4.390 -3.663 1.686 0.00 0.00 +0.224 A ATOM 25 N LIG 1 4.421 -3.086 2.864 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 4.749 -1.766 2.671 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 8.158 2.809 -0.190 0.00 0.00 +0.194 C ATOM 28 O LIG 1 6.874 2.402 0.262 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.958 1.583 -3.704 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -4.240 1.837 -4.081 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.260 2.726 -3.948 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.478 0.665 -4.588 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.035 0.274 0.744 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -5.782 -0.892 0.276 0.00 0.00 -0.306 NA ATOM 35 H LIG 1 -5.179 -1.713 0.322 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.034 -1.132 1.002 0.00 0.00 +0.023 C ATOM 37 C LIG 1 -8.232 -1.547 0.183 0.00 0.00 +0.027 C ATOM 38 C LIG 1 -8.202 -0.203 0.852 0.00 0.00 +0.011 C ATOM 39 C LIG 1 -8.825 0.003 2.203 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -7.743 -0.447 3.190 0.00 0.00 +0.002 C ATOM 41 C LIG 1 -6.975 -1.554 2.458 0.00 0.00 +0.022 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8