REMARK Name = BDB054305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.642 2.863 -1.150 0.00 0.00 +0.035 A ATOM 2 C LIG 1 0.426 2.247 0.084 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.876 2.000 0.536 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.982 2.385 -0.229 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -1.765 3.025 -1.454 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.464 3.271 -1.902 0.00 0.00 +0.023 A ENDROOT BRANCH 1 11 ATOM 7 O LIG 1 4.128 3.424 -1.688 0.00 0.00 -0.252 OA ATOM 8 C LIG 1 3.172 2.743 -1.321 0.00 0.00 +0.308 C ATOM 9 N LIG 1 3.244 1.547 -0.663 0.00 0.00 -0.269 N ATOM 10 H LIG 1 2.433 0.957 -0.779 0.00 0.00 +0.156 HD ATOM 11 N LIG 1 1.915 3.165 -1.668 0.00 0.00 -0.269 N ATOM 12 H LIG 1 1.958 3.899 -2.365 0.00 0.00 +0.156 HD BRANCH 9 13 ATOM 13 C LIG 1 4.380 0.943 -0.089 0.00 0.00 +0.035 A ATOM 14 C LIG 1 4.253 -0.380 0.350 0.00 0.00 +0.023 A ATOM 15 C LIG 1 5.329 -1.040 0.953 0.00 0.00 +0.007 A ATOM 16 C LIG 1 6.553 -0.386 1.130 0.00 0.00 -0.033 A ATOM 17 C LIG 1 6.675 0.940 0.693 0.00 0.00 +0.007 A ATOM 18 C LIG 1 5.598 1.599 0.090 0.00 0.00 +0.023 A BRANCH 16 19 ATOM 19 C LIG 1 7.718 -1.083 1.801 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 N LIG 1 8.915 -1.168 0.951 0.00 0.00 -0.298 NA ATOM 21 C LIG 1 10.087 -1.594 1.714 0.00 0.00 +0.085 C ATOM 22 C LIG 1 11.359 -1.389 0.883 0.00 0.00 +0.015 C ATOM 23 C LIG 1 11.181 -1.749 -0.594 0.00 0.00 +0.002 C ATOM 24 C LIG 1 9.973 -2.651 -0.797 0.00 0.00 +0.015 C ATOM 25 C LIG 1 8.693 -2.013 -0.236 0.00 0.00 +0.085 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 9 13 ENDBRANCH 1 11 BRANCH 4 26 ATOM 26 C LIG 1 -3.382 2.107 0.258 0.00 0.00 +0.054 C BRANCH 26 27 ATOM 27 C LIG 1 -3.932 0.782 -0.285 0.00 0.00 +0.107 C BRANCH 27 28 ATOM 28 N LIG 1 -5.264 0.545 0.260 0.00 0.00 -0.328 N ATOM 29 H LIG 1 -5.888 1.347 0.267 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -5.899 -0.627 -0.150 0.00 0.00 +0.134 A ATOM 31 C LIG 1 -7.291 -0.790 -0.081 0.00 0.00 +0.098 A ATOM 32 C LIG 1 -7.793 -2.013 -0.495 0.00 0.00 +0.234 A ATOM 33 O LIG 1 -9.147 -2.032 -0.370 0.00 0.00 -0.435 OA ATOM 34 C LIG 1 -9.540 -0.818 0.126 0.00 0.00 +0.157 A ATOM 35 N LIG 1 -7.101 -3.060 -0.960 0.00 0.00 -0.200 NA ATOM 36 C LIG 1 -5.791 -2.802 -0.986 0.00 0.00 +0.227 A ATOM 37 C LIG 1 -8.422 -0.026 0.321 0.00 0.00 +0.099 A ATOM 38 CL LIG 1 -8.347 1.560 0.939 0.00 0.00 -0.079 Cl ATOM 39 N LIG 1 -5.167 -1.668 -0.617 0.00 0.00 -0.220 NA BRANCH 34 40 ATOM 40 C LIG 1 -10.981 -0.668 0.314 0.00 0.00 +0.019 A ATOM 41 C LIG 1 -11.780 -1.787 0.604 0.00 0.00 +0.011 A ATOM 42 C LIG 1 -13.159 -1.659 0.789 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -13.762 -0.408 0.685 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -12.987 0.711 0.392 0.00 0.00 +0.001 A ATOM 45 C LIG 1 -11.607 0.582 0.205 0.00 0.00 +0.011 A ENDBRANCH 34 40 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 9