REMARK Name = BDB056811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.982 -1.316 -1.536 0.00 0.00 +0.096 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.263 -0.388 -1.772 0.00 0.00 +0.043 C ATOM 3 C LIG 1 1.571 -0.932 -1.166 0.00 0.00 +0.114 C ATOM 4 N LIG 1 2.661 0.051 -1.258 0.00 0.00 -0.301 N ATOM 5 C LIG 1 3.586 0.120 -0.218 0.00 0.00 +0.216 C ATOM 6 O LIG 1 3.557 -0.658 0.735 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 2.662 0.936 -2.421 0.00 0.00 +0.108 C ATOM 8 C LIG 1 1.940 0.314 -3.606 0.00 0.00 +0.019 C ATOM 9 C LIG 1 0.498 -0.073 -3.272 0.00 0.00 +0.010 C BRANCH 5 10 ATOM 10 C LIG 1 4.643 1.214 -0.322 0.00 0.00 +0.100 C BRANCH 10 11 ATOM 11 C LIG 1 5.540 1.329 0.925 0.00 0.00 +0.012 C ATOM 12 C LIG 1 6.303 2.665 0.890 0.00 0.00 +0.085 C ATOM 13 N LIG 1 7.243 2.765 1.998 0.00 0.00 -0.316 NA ATOM 14 H LIG 1 7.712 3.669 1.991 0.00 0.00 +0.122 HD ATOM 15 C LIG 1 8.232 1.687 2.027 0.00 0.00 +0.081 C ATOM 16 C LIG 1 7.964 0.545 1.048 0.00 0.00 +0.015 C ATOM 17 C LIG 1 6.498 0.126 1.062 0.00 0.00 +0.006 C ENDBRANCH 10 11 ENDBRANCH 5 10 ENDBRANCH 1 2 BRANCH 1 19 ATOM 18 C LIG 1 -3.002 0.354 -1.877 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -2.240 -0.782 -2.276 0.00 0.00 -0.005 A ATOM 20 C LIG 1 -2.650 -1.456 -3.460 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.773 -1.073 -4.197 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -4.524 0.011 -3.782 0.00 0.00 +0.039 A ATOM 23 C LIG 1 -4.135 0.711 -2.647 0.00 0.00 +0.131 A ATOM 24 F LIG 1 -4.875 1.776 -2.295 0.00 0.00 -0.205 F BRANCH 18 27 ATOM 25 C LIG 1 -3.120 1.916 1.584 0.00 0.00 -0.047 A ATOM 26 C LIG 1 -3.366 1.061 0.498 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -2.698 1.224 -0.728 0.00 0.00 -0.015 A ATOM 28 C LIG 1 -1.814 2.305 -0.862 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -1.558 3.160 0.210 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -2.204 2.962 1.429 0.00 0.00 +0.003 A BRANCH 25 32 ATOM 31 C LIG 1 -2.928 1.223 3.999 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -3.846 1.719 2.892 0.00 0.00 +0.032 C ENDBRANCH 25 32 ENDBRANCH 18 27 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 O LIG 1 -0.604 -2.601 -2.083 0.00 0.00 -0.384 OA ATOM 34 H LIG 1 -1.361 -3.201 -1.973 0.00 0.00 +0.211 HD ENDBRANCH 1 33 BRANCH 1 35 ATOM 35 C LIG 1 -1.215 -1.592 -0.021 0.00 0.00 +0.041 C BRANCH 35 36 ATOM 36 C LIG 1 -2.450 -2.448 0.310 0.00 0.00 +0.022 C BRANCH 36 37 ATOM 37 C LIG 1 -2.602 -2.621 1.821 0.00 0.00 +0.107 C BRANCH 37 38 ATOM 38 N LIG 1 -3.758 -3.420 2.150 0.00 0.00 -0.281 N ATOM 39 H LIG 1 -3.679 -4.420 2.264 0.00 0.00 +0.152 HD ATOM 40 C LIG 1 -5.016 -2.905 2.219 0.00 0.00 +0.400 C ATOM 41 O LIG 1 -5.313 -1.732 2.055 0.00 0.00 -0.226 OA BRANCH 40 42 ATOM 42 O LIG 1 -5.888 -3.906 2.491 0.00 0.00 -0.454 OA ATOM 43 C LIG 1 -7.246 -3.478 2.587 0.00 0.00 +0.282 C ENDBRANCH 40 42 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 12