REMARK Name = BDB048940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.483 1.387 -1.505 0.00 0.00 -0.027 A ATOM 2 C LIG 1 0.249 1.689 -0.913 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.709 2.421 -1.623 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.430 2.886 -2.907 0.00 0.00 +0.046 A ATOM 5 C LIG 1 0.792 2.584 -3.505 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.741 1.832 -2.811 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.510 0.571 -0.768 0.00 0.00 +0.140 C BRANCH 7 9 ATOM 8 C LIG 1 3.433 -1.768 -0.907 0.00 0.00 +0.248 C ATOM 9 N LIG 1 2.557 -0.782 -1.279 0.00 0.00 -0.307 N ATOM 10 H LIG 1 1.729 -1.139 -1.740 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 3.211 -2.944 -1.180 0.00 0.00 -0.270 OA BRANCH 8 13 ATOM 12 C LIG 1 5.683 -0.668 -0.629 0.00 0.00 +0.133 A ATOM 13 C LIG 1 4.623 -1.423 -0.103 0.00 0.00 +0.078 A ATOM 14 C LIG 1 4.683 -1.941 1.196 0.00 0.00 +0.017 A ATOM 15 C LIG 1 5.788 -1.673 2.002 0.00 0.00 +0.013 A ATOM 16 C LIG 1 6.843 -0.889 1.514 0.00 0.00 +0.058 A ATOM 17 C LIG 1 6.784 -0.399 0.193 0.00 0.00 +0.058 A BRANCH 16 18 ATOM 18 C LIG 1 8.055 -0.605 2.370 0.00 0.00 +0.418 C ATOM 19 F LIG 1 9.103 -1.418 2.069 0.00 0.00 -0.166 F ATOM 20 F LIG 1 7.824 -0.763 3.703 0.00 0.00 -0.166 F ATOM 21 F LIG 1 8.514 0.669 2.221 0.00 0.00 -0.166 F ENDBRANCH 16 18 BRANCH 12 23 ATOM 22 C LIG 1 6.710 0.319 -2.546 0.00 0.00 +0.277 C ATOM 23 O LIG 1 5.559 -0.238 -1.923 0.00 0.00 -0.494 OA ENDBRANCH 12 23 ENDBRANCH 8 13 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 3 24 ATOM 24 O LIG 1 -1.926 2.773 -1.083 0.00 0.00 -0.456 OA BRANCH 24 25 ATOM 25 C LIG 1 -2.637 1.792 -0.430 0.00 0.00 +0.129 A ATOM 26 C LIG 1 -2.848 0.522 -0.975 0.00 0.00 +0.053 A ATOM 27 C LIG 1 -3.599 -0.435 -0.276 0.00 0.00 -0.005 A ATOM 28 C LIG 1 -3.804 -1.799 -0.869 0.00 0.00 +0.047 C ATOM 29 C LIG 1 -4.187 -0.068 0.943 0.00 0.00 +0.125 A ATOM 30 C LIG 1 -3.969 1.198 1.490 0.00 0.00 +0.049 A ATOM 31 C LIG 1 -3.206 2.135 0.795 0.00 0.00 +0.050 A BRANCH 29 32 ATOM 32 O LIG 1 -4.922 -0.987 1.639 0.00 0.00 -0.475 OA BRANCH 32 33 ATOM 33 C LIG 1 -6.346 -0.826 1.542 0.00 0.00 +0.200 C ATOM 34 C LIG 1 -6.854 -0.319 2.902 0.00 0.00 +0.067 C ATOM 35 C LIG 1 -6.900 -2.252 1.354 0.00 0.00 +0.067 C BRANCH 33 36 ATOM 36 C LIG 1 -6.927 0.027 0.381 0.00 0.00 +0.348 C ATOM 37 O LIG 1 -7.127 -0.344 -0.767 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 -7.197 1.308 0.715 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 -7.476 1.714 -0.133 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 11