REMARK Name = BDB057531 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.052 0.410 -0.536 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.355 0.662 -1.892 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -1.871 0.452 -2.983 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -0.079 1.112 -1.788 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 0.257 1.187 -0.873 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.495 0.700 -0.687 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.880 0.177 -1.491 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.375 0.699 0.402 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.754 0.443 0.214 0.00 0.00 +0.044 A ATOM 10 C LIG 1 -6.663 0.490 1.282 0.00 0.00 +0.033 A ATOM 11 C LIG 1 -6.213 0.851 2.546 0.00 0.00 +0.042 A ATOM 12 CL LIG 1 -7.320 0.933 3.859 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 -4.873 1.159 2.751 0.00 0.00 +0.022 A ATOM 14 C LIG 1 -3.967 1.091 1.685 0.00 0.00 +0.025 A BRANCH 9 15 ATOM 15 C LIG 1 -6.260 0.051 -1.124 0.00 0.00 +0.195 C ATOM 16 O LIG 1 -5.675 -0.843 -1.730 0.00 0.00 -0.287 OA BRANCH 15 17 ATOM 17 C LIG 1 -7.438 0.723 -1.731 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -8.182 0.026 -2.691 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -9.288 0.628 -3.293 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -9.648 1.930 -2.947 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -8.899 2.635 -2.005 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.793 2.036 -1.399 0.00 0.00 +0.012 A ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 23 ATOM 23 C LIG 1 -1.821 -1.060 -0.137 0.00 0.00 +0.068 C BRANCH 23 27 ATOM 24 C LIG 1 2.204 -1.678 1.328 0.00 0.00 +0.121 A ATOM 25 C LIG 1 1.884 -1.981 0.006 0.00 0.00 +0.046 A ATOM 26 C LIG 1 0.579 -1.795 -0.464 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -0.421 -1.299 0.382 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -0.096 -0.999 1.710 0.00 0.00 +0.007 A ATOM 29 C LIG 1 1.207 -1.189 2.175 0.00 0.00 +0.046 A BRANCH 24 30 ATOM 30 O LIG 1 3.431 -1.815 1.912 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 4.496 -2.307 1.088 0.00 0.00 +0.248 C BRANCH 31 32 ATOM 32 C LIG 1 5.784 -2.385 1.922 0.00 0.00 +0.150 C BRANCH 32 34 ATOM 33 C LIG 1 5.772 -0.226 3.179 0.00 0.00 +0.134 C ATOM 34 N LIG 1 6.388 -1.070 2.167 0.00 0.00 -0.285 N BRANCH 34 35 ATOM 35 C LIG 1 7.044 -0.434 1.165 0.00 0.00 +0.291 A ATOM 36 O LIG 1 7.425 -1.188 0.083 0.00 0.00 -0.424 OA ATOM 37 C LIG 1 8.047 -0.299 -0.740 0.00 0.00 +0.157 A ATOM 38 C LIG 1 8.009 0.940 -0.128 0.00 0.00 +0.111 A ATOM 39 C LIG 1 8.591 2.036 -0.777 0.00 0.00 +0.031 A ATOM 40 C LIG 1 9.191 1.821 -2.028 0.00 0.00 +0.002 A ATOM 41 C LIG 1 9.205 0.549 -2.615 0.00 0.00 +0.004 A ATOM 42 C LIG 1 8.625 -0.555 -1.978 0.00 0.00 +0.048 A ATOM 43 N LIG 1 7.366 0.841 1.078 0.00 0.00 -0.195 NA ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 13