REMARK Name = BDB035185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.826 -0.473 0.859 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -2.613 -0.604 0.290 0.00 0.00 -0.143 NA ATOM 3 N LIG 1 -1.829 0.045 1.177 0.00 0.00 -0.198 N ATOM 4 C LIG 1 -2.567 0.548 2.215 0.00 0.00 +0.160 A ATOM 5 C LIG 1 -1.850 1.251 3.204 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -0.519 1.367 3.054 0.00 0.00 +0.116 A ATOM 7 N LIG 1 0.215 0.852 2.002 0.00 0.00 -0.240 NA ATOM 8 C LIG 1 -0.448 0.206 1.079 0.00 0.00 +0.137 A ATOM 9 N LIG 1 -3.831 0.246 2.038 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.824 -1.929 0.952 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.040 -1.004 0.280 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -5.493 -0.611 -0.977 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -6.633 -1.133 -1.503 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.308 -2.021 -0.762 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.962 -2.453 0.452 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -4.754 0.406 -1.831 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -4.728 1.863 -1.421 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -5.527 1.443 -2.616 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -6.309 -3.235 2.848 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -5.388 -2.373 2.188 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 8 21 ATOM 21 C LIG 1 0.163 -0.433 -0.142 0.00 0.00 +0.111 C BRANCH 21 22 ATOM 22 C LIG 1 1.640 -0.167 -0.313 0.00 0.00 -0.037 A ATOM 23 C LIG 1 2.588 -0.975 0.325 0.00 0.00 +0.043 A ATOM 24 C LIG 1 3.951 -0.710 0.181 0.00 0.00 +0.134 A ATOM 25 F LIG 1 4.816 -1.502 0.832 0.00 0.00 -0.205 F ATOM 26 C LIG 1 4.408 0.352 -0.604 0.00 0.00 +0.053 A ATOM 27 C LIG 1 3.453 1.174 -1.220 0.00 0.00 +0.014 A ATOM 28 C LIG 1 2.085 0.918 -1.079 0.00 0.00 +0.005 A BRANCH 26 29 ATOM 29 C LIG 1 5.830 0.667 -0.769 0.00 0.00 +0.144 A ATOM 30 N LIG 1 6.848 -0.226 -1.032 0.00 0.00 -0.333 N ATOM 31 C LIG 1 6.740 -1.644 -1.281 0.00 0.00 +0.150 C ATOM 32 C LIG 1 8.025 0.472 -1.102 0.00 0.00 +0.119 A ATOM 33 C LIG 1 7.691 1.801 -0.920 0.00 0.00 +0.162 A ATOM 34 N LIG 1 6.320 1.897 -0.740 0.00 0.00 -0.223 NA BRANCH 33 35 ATOM 35 C LIG 1 8.589 3.003 -0.915 0.00 0.00 +0.436 C ATOM 36 F LIG 1 9.886 2.668 -1.169 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.588 3.648 0.281 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.239 3.915 -1.861 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 7