REMARK Name = BDB035491 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.729 -1.563 0.570 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.124 -0.458 -0.038 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.603 0.563 -0.501 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.323 -0.702 -0.031 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.337 0.098 -0.527 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.655 -0.359 -0.397 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.904 -1.601 0.237 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.860 -2.403 0.737 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.562 -1.924 0.587 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.266 -2.532 1.014 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.458 -1.057 0.435 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.075 -0.877 0.243 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.123 -1.769 0.762 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.591 -2.878 1.480 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.958 -3.075 1.689 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.882 -2.170 1.177 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.517 -0.096 -0.098 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -4.053 1.763 2.070 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.465 1.579 1.872 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.120 0.789 0.959 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -7.420 0.943 1.141 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.617 1.824 2.173 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.436 2.196 2.603 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.054 0.734 -1.302 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -6.179 1.430 -2.130 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -5.325 1.159 -3.393 0.00 0.00 +0.092 C ATOM 27 C LIG 1 -4.716 -0.036 -2.615 0.00 0.00 +0.023 C BRANCH 26 28 ATOM 28 C LIG 1 -6.055 0.821 -4.593 0.00 0.00 +0.066 C ATOM 29 N LIG 1 -6.633 0.548 -5.562 0.00 0.00 -0.196 NA ENDBRANCH 26 28 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.128 -3.718 1.417 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.476 -4.750 0.811 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.699 -3.723 2.710 0.00 0.00 -0.166 F ATOM 33 F LIG 1 4.441 -4.069 1.452 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 4.812 0.473 -0.906 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.570 1.018 0.219 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 4.961 1.633 0.758 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.826 1.654 -0.205 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.868 0.561 -0.578 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.875 1.299 0.329 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.666 1.888 1.087 0.00 0.00 +0.022 C ATOM 41 C LIG 1 6.665 2.863 -1.107 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9