REMARK Name = BDB038841 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.101 2.052 -0.561 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -4.227 0.751 -1.057 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -3.101 0.024 -1.486 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.825 0.623 -1.407 0.00 0.00 +0.129 A ATOM 5 C LIG 1 -1.702 1.929 -0.925 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.833 2.637 -0.506 0.00 0.00 +0.012 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.284 -1.347 -2.000 0.00 0.00 -0.008 A ATOM 8 C LIG 1 -3.255 -2.475 -1.133 0.00 0.00 -0.001 A ATOM 9 C LIG 1 -3.443 -3.729 -1.754 0.00 0.00 +0.127 A ATOM 10 F LIG 1 -3.428 -4.842 -1.004 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -3.648 -3.886 -3.124 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -3.671 -2.772 -3.948 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -3.490 -1.512 -3.388 0.00 0.00 +0.009 A BRANCH 8 14 ATOM 14 C LIG 1 -3.022 -2.356 0.445 0.00 0.00 +0.022 C ATOM 15 C LIG 1 -4.024 -3.047 1.414 0.00 0.00 +0.008 C ATOM 16 C LIG 1 -2.831 -3.299 2.358 0.00 0.00 +0.001 C ATOM 17 C LIG 1 -1.920 -3.227 1.116 0.00 0.00 +0.008 C ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 22 ATOM 18 C LIG 1 -7.510 5.608 -0.162 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -6.763 4.386 0.025 0.00 0.00 -0.273 N ATOM 20 N LIG 1 -7.211 3.462 0.896 0.00 0.00 -0.164 NA ATOM 21 C LIG 1 -6.292 2.470 0.818 0.00 0.00 +0.177 A ATOM 22 C LIG 1 -5.269 2.786 -0.119 0.00 0.00 +0.034 A ATOM 23 C LIG 1 -5.608 4.033 -0.602 0.00 0.00 +0.117 A BRANCH 21 24 ATOM 24 C LIG 1 -6.455 1.286 1.668 0.00 0.00 +0.358 C ATOM 25 O LIG 1 -5.693 0.331 1.715 0.00 0.00 -0.243 OA BRANCH 24 26 ATOM 26 O LIG 1 -7.582 1.362 2.432 0.00 0.00 -0.476 OA ATOM 27 H LIG 1 -8.000 2.227 2.204 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 21 24 ENDBRANCH 1 22 BRANCH 4 28 ATOM 28 O LIG 1 -0.776 -0.149 -1.832 0.00 0.00 -0.488 OA BRANCH 28 29 ATOM 29 C LIG 1 0.553 0.200 -1.441 0.00 0.00 +0.175 C ATOM 30 C LIG 1 0.781 -0.057 0.059 0.00 0.00 +0.066 C ATOM 31 C LIG 1 1.976 -1.007 0.157 0.00 0.00 +0.077 C ATOM 32 C LIG 1 1.879 -1.804 -1.142 0.00 0.00 +0.026 C ATOM 33 C LIG 1 1.509 -0.749 -2.176 0.00 0.00 +0.046 C BRANCH 31 34 ATOM 34 N LIG 1 3.229 -0.270 0.262 0.00 0.00 -0.310 N ATOM 35 H LIG 1 3.197 0.684 0.613 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 4.425 -0.924 0.527 0.00 0.00 +0.252 C ATOM 37 O LIG 1 4.540 -2.145 0.542 0.00 0.00 -0.272 OA BRANCH 36 38 ATOM 38 C LIG 1 5.590 0.042 0.715 0.00 0.00 +0.200 C ATOM 39 C LIG 1 6.775 -0.533 1.466 0.00 0.00 +0.073 C ATOM 40 C LIG 1 7.908 0.330 0.963 0.00 0.00 +0.023 C ATOM 41 C LIG 1 8.307 1.600 1.762 0.00 0.00 +0.022 C ATOM 42 C LIG 1 9.776 1.330 1.374 0.00 0.00 +0.004 C ATOM 43 C LIG 1 9.377 -0.134 1.088 0.00 0.00 +0.022 C ATOM 44 N LIG 1 7.620 0.746 -0.426 0.00 0.00 -0.307 NA ATOM 45 H LIG 1 8.180 0.286 -1.144 0.00 0.00 +0.123 HD ATOM 46 C LIG 1 6.192 0.418 -0.641 0.00 0.00 +0.131 C ATOM 47 F LIG 1 5.174 1.186 1.348 0.00 0.00 -0.231 F ENDBRANCH 36 38 ENDBRANCH 31 34 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 9