REMARK Name = BDB035603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.249 1.354 -1.347 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.920 0.922 -0.198 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.510 0.452 0.847 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.352 1.152 -0.426 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.415 0.865 0.410 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.705 1.179 -0.038 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.876 1.763 -1.318 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.782 2.051 -2.155 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.514 1.730 -1.679 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.177 1.905 -2.324 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.420 0.616 -0.920 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.029 0.664 -0.688 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.153 1.296 -1.582 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.705 1.875 -2.735 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.081 1.843 -2.977 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.935 1.221 -2.073 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.365 -0.076 0.066 0.00 0.00 +0.087 C BRANCH 17 20 ATOM 18 C LIG 1 -5.164 -2.292 -1.971 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -4.428 -2.491 -0.753 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.058 -1.546 0.172 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -3.413 -2.160 1.148 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -3.368 -3.503 0.864 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -3.973 -3.684 -0.285 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -4.336 0.649 1.435 0.00 0.00 +0.019 C BRANCH 24 25 ATOM 25 C LIG 1 -5.629 0.619 2.291 0.00 0.00 -0.006 C ATOM 26 C LIG 1 -6.012 -0.760 2.840 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -6.895 -1.607 1.925 0.00 0.00 +0.160 C ATOM 28 O LIG 1 -7.468 -0.867 0.846 0.00 0.00 -0.380 OA ATOM 29 C LIG 1 -7.974 0.386 1.292 0.00 0.00 +0.160 C ATOM 30 C LIG 1 -6.816 1.323 1.606 0.00 0.00 +0.031 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 3.967 2.662 -3.518 0.00 0.00 +0.418 C ATOM 32 F LIG 1 5.245 3.039 -3.787 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.603 1.811 -4.516 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.203 3.777 -3.689 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.912 0.868 0.821 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.649 -0.266 0.262 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.982 -1.012 0.062 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.781 -0.684 1.116 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.376 -1.975 0.479 0.00 0.00 +0.022 C ATOM 40 C LIG 1 7.444 -2.814 1.376 0.00 0.00 +0.004 C ATOM 41 C LIG 1 7.275 -1.578 2.282 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.799 0.398 1.412 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9