REMARK Name = BDB035719 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.533 1.159 -1.340 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.158 0.719 -0.207 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.242 0.234 0.836 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.583 0.971 -0.451 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.663 0.682 0.364 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.941 1.022 -0.097 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.086 1.633 -1.368 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.976 1.923 -2.184 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.720 1.575 -1.695 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.371 1.750 -2.317 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.178 0.296 -0.837 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.773 0.367 -0.686 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.936 1.084 -1.555 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.530 1.727 -2.647 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.911 1.682 -2.835 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.718 0.985 -1.938 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -5.886 -2.465 0.739 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.118 -1.525 -0.464 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.113 -0.507 0.186 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -4.531 -1.749 0.940 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.827 0.513 1.176 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.242 1.359 2.079 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -3.844 1.546 2.356 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.264 2.021 2.688 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.409 1.610 2.198 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.135 0.661 1.242 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.035 -4.529 0.208 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -5.796 -3.875 0.446 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.133 2.565 -3.535 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.748 1.737 -4.545 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.405 2.948 -3.822 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.365 3.683 -3.663 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.167 0.715 0.737 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.918 -0.391 0.142 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.269 -1.160 -0.031 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.088 -0.770 0.952 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.615 -2.126 0.390 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.703 -2.622 1.849 0.00 0.00 +0.004 C ATOM 39 C LIG 1 6.635 -1.567 2.209 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.141 0.313 1.104 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8