REMARK Name = BDB035461 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.401 1.411 -0.554 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.324 0.579 0.306 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.033 -0.312 1.053 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.734 0.971 0.193 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.834 0.427 0.832 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.092 0.979 0.553 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.196 2.052 -0.366 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.066 2.595 -1.005 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.831 2.028 -0.704 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.470 2.375 -1.214 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.027 0.328 -0.411 0.00 0.00 -0.030 A ATOM 12 C LIG 1 -2.624 0.387 -0.217 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.804 1.377 -0.782 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.418 2.339 -1.592 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.796 2.320 -1.810 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.584 1.331 -1.225 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -4.906 -0.835 0.271 0.00 0.00 +0.081 C ATOM 18 C LIG 1 -6.421 -0.556 0.583 0.00 0.00 +0.105 C ATOM 19 N LIG 1 -6.251 -1.206 1.891 0.00 0.00 -0.292 NA ATOM 20 C LIG 1 -4.796 -0.960 1.836 0.00 0.00 +0.105 C BRANCH 17 23 ATOM 21 C LIG 1 -5.567 -1.682 -2.783 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -4.968 -2.521 -1.784 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.666 -2.214 -0.485 0.00 0.00 +0.146 A ATOM 24 N LIG 1 -4.085 -3.260 0.068 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -4.025 -4.264 -0.868 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -4.556 -3.804 -1.975 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 C LIG 1 -6.908 -0.512 3.019 0.00 0.00 +0.198 C BRANCH 27 28 ATOM 28 C LIG 1 -7.016 1.022 3.136 0.00 0.00 +0.402 C ATOM 29 F LIG 1 -5.829 1.641 2.972 0.00 0.00 -0.169 F ATOM 30 F LIG 1 -7.875 1.530 2.223 0.00 0.00 -0.169 F ATOM 31 F LIG 1 -7.487 1.368 4.358 0.00 0.00 -0.169 F ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 3.179 3.729 -1.987 0.00 0.00 +0.418 C ATOM 33 F LIG 1 2.376 4.778 -1.654 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.800 3.361 -3.242 0.00 0.00 -0.166 F ATOM 35 F LIG 1 4.434 4.239 -2.103 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.337 0.414 1.203 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.120 -0.340 0.223 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.494 -1.003 -0.237 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.311 -0.965 0.823 0.00 0.00 +0.017 C ATOM 40 C LIG 1 7.878 -1.971 -0.225 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.998 -2.997 0.922 0.00 0.00 +0.004 C ATOM 42 C LIG 1 6.899 -2.207 1.664 0.00 0.00 +0.022 C ATOM 43 C LIG 1 8.328 0.008 1.392 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9