REMARK Name = BDB035788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.807 -0.102 -0.250 0.00 0.00 -0.029 A ATOM 2 C LIG 1 3.918 -0.900 -1.421 0.00 0.00 +0.018 A ATOM 3 C LIG 1 2.802 -1.232 -2.215 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.566 -0.743 -1.810 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.216 -0.922 -2.425 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.666 -0.167 -1.546 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.045 0.403 -0.485 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.326 1.068 0.464 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.456 0.039 -0.668 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.542 0.373 0.122 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.062 -0.047 -1.793 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.886 0.771 -1.004 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.269 0.893 -1.247 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.829 0.167 -2.308 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.029 -0.645 -3.105 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.659 -0.747 -2.851 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.169 1.789 -0.401 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -4.910 1.699 1.081 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -4.952 0.551 1.834 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.229 -0.791 1.398 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -4.676 0.923 3.114 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -4.499 2.221 3.165 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -4.645 2.709 1.891 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -5.150 3.249 -0.868 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.195 3.619 -2.360 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -4.223 4.677 -2.151 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -3.866 4.099 -0.864 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.931 -2.088 -3.446 0.00 0.00 +0.418 C ATOM 29 F LIG 1 4.208 -2.467 -3.722 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.208 -3.238 -3.348 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.473 -1.458 -4.562 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 33 ATOM 32 C LIG 1 5.066 1.523 1.332 0.00 0.00 +0.029 C ATOM 33 C LIG 1 5.061 0.197 0.560 0.00 0.00 +0.081 C BRANCH 33 34 ATOM 34 N LIG 1 5.578 -0.940 1.342 0.00 0.00 -0.304 NA ATOM 35 H LIG 1 6.010 -1.598 0.693 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 4.685 -1.590 2.318 0.00 0.00 +0.017 C ATOM 37 C LIG 1 5.513 -2.774 2.925 0.00 0.00 +0.022 C ATOM 38 C LIG 1 4.266 -3.661 2.734 0.00 0.00 +0.004 C ATOM 39 C LIG 1 3.819 -2.685 1.627 0.00 0.00 +0.022 C ATOM 40 C LIG 1 4.055 -0.710 3.379 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 8