REMARK Name = BDB035604 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.037 -0.836 -0.844 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.139 -1.565 -1.303 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.231 -2.434 -2.151 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.307 -1.101 -0.545 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.622 -1.519 -0.646 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.567 -0.918 0.196 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.153 0.087 1.104 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.810 0.502 1.193 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.895 -0.118 0.347 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.424 0.101 0.205 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.671 -0.252 -1.160 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.323 -0.162 -0.739 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.304 -0.949 -1.303 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.664 -1.836 -2.320 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.988 -1.936 -2.759 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.985 -1.151 -2.184 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.710 0.632 -0.464 0.00 0.00 +0.088 C BRANCH 17 20 ATOM 18 C LIG 1 -5.222 -2.201 0.925 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.060 -0.925 1.567 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.841 0.308 1.001 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -4.758 1.199 1.972 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.923 0.553 3.171 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.099 -0.720 2.914 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.086 0.717 -1.167 0.00 0.00 +0.027 C BRANCH 24 25 ATOM 25 C LIG 1 -7.033 1.810 -0.621 0.00 0.00 +0.016 C ATOM 26 C LIG 1 -8.397 1.770 -1.352 0.00 0.00 +0.168 C ATOM 27 O LIG 1 -9.009 1.072 -0.240 0.00 0.00 -0.379 OA ATOM 28 C LIG 1 -7.891 1.432 0.613 0.00 0.00 +0.168 C ATOM 29 C LIG 1 -6.436 3.212 -0.596 0.00 0.00 +0.016 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 2.374 1.572 2.157 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.809 2.635 1.521 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.383 2.077 2.916 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.433 1.120 3.031 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 6.024 -1.320 0.129 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.822 -0.225 -0.421 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.519 -0.054 -1.380 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 8.274 -0.450 -0.286 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.728 -0.102 1.159 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.897 1.366 0.719 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.974 0.867 -0.737 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.795 -1.712 -0.941 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9