REMARK Name = BDB059115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.513 1.185 -0.794 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -1.099 0.926 -0.674 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -0.224 1.722 -1.452 0.00 0.00 -0.010 A ATOM 4 C LIG 1 1.167 1.531 -1.381 0.00 0.00 +0.014 A ATOM 5 C LIG 1 1.777 0.565 -0.552 0.00 0.00 -0.022 A ATOM 6 C LIG 1 3.304 0.426 -0.528 0.00 0.00 +0.017 C ATOM 7 C LIG 1 3.908 1.802 -0.134 0.00 0.00 +0.021 C ATOM 8 C LIG 1 3.776 0.036 -1.953 0.00 0.00 +0.021 C ATOM 9 C LIG 1 3.835 -0.627 0.456 0.00 0.00 -0.020 A ATOM 10 C LIG 1 2.980 -1.432 1.231 0.00 0.00 +0.068 A ATOM 11 C LIG 1 3.530 -2.369 2.134 0.00 0.00 +0.131 A ATOM 12 C LIG 1 4.909 -2.524 2.261 0.00 0.00 +0.091 A ATOM 13 C LIG 1 5.751 -1.747 1.488 0.00 0.00 +0.121 A ATOM 14 C LIG 1 1.510 -1.296 1.079 0.00 0.00 +0.201 C ATOM 15 O LIG 1 0.725 -2.053 1.645 0.00 0.00 -0.286 OA ATOM 16 C LIG 1 5.233 -0.812 0.599 0.00 0.00 +0.050 A ATOM 17 C LIG 1 0.934 -0.240 0.213 0.00 0.00 +0.068 A ATOM 18 C LIG 1 -0.723 2.717 -2.309 0.00 0.00 +0.054 A ATOM 19 C LIG 1 -2.086 2.943 -2.410 0.00 0.00 +0.118 A ATOM 20 C LIG 1 -0.475 -0.060 0.153 0.00 0.00 +0.136 A ATOM 21 C LIG 1 -2.974 2.192 -1.667 0.00 0.00 +0.054 A ENDROOT BRANCH 1 23 ATOM 22 C LIG 1 -4.212 -0.645 -0.638 0.00 0.00 +0.132 A ATOM 23 C LIG 1 -3.550 0.448 -0.034 0.00 0.00 +0.029 A ATOM 24 C LIG 1 -3.920 0.823 1.286 0.00 0.00 -0.017 A ATOM 25 C LIG 1 -3.238 1.967 1.998 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -4.919 0.079 1.956 0.00 0.00 +0.086 A ATOM 27 CL LIG 1 -5.373 0.475 3.587 0.00 0.00 -0.079 Cl ATOM 28 C LIG 1 -5.566 -0.989 1.316 0.00 0.00 +0.139 A ATOM 29 C LIG 1 -5.224 -1.346 0.018 0.00 0.00 +0.093 A BRANCH 22 31 ATOM 30 C LIG 1 -3.153 -2.191 -1.982 0.00 0.00 +0.277 C ATOM 31 O LIG 1 -3.918 -0.986 -1.939 0.00 0.00 -0.494 OA ENDBRANCH 22 31 BRANCH 28 32 ATOM 32 O LIG 1 -6.550 -1.685 1.967 0.00 0.00 -0.505 OA ATOM 33 H LIG 1 -6.876 -2.395 1.391 0.00 0.00 +0.292 HD ENDBRANCH 28 32 ENDBRANCH 1 23 BRANCH 13 34 ATOM 34 O LIG 1 7.093 -1.928 1.634 0.00 0.00 -0.507 OA ATOM 35 H LIG 1 7.567 -1.321 1.042 0.00 0.00 +0.292 HD ENDBRANCH 13 34 BRANCH 11 36 ATOM 36 O LIG 1 2.727 -3.147 2.922 0.00 0.00 -0.506 OA ATOM 37 H LIG 1 3.263 -3.745 3.466 0.00 0.00 +0.292 HD ENDBRANCH 11 36 BRANCH 19 38 ATOM 38 O LIG 1 -2.593 3.904 -3.233 0.00 0.00 -0.507 OA ATOM 39 H LIG 1 -1.863 4.335 -3.707 0.00 0.00 +0.292 HD ENDBRANCH 19 38 BRANCH 20 40 ATOM 40 O LIG 1 -1.302 -0.861 0.914 0.00 0.00 -0.505 OA ATOM 41 H LIG 1 -0.750 -1.511 1.406 0.00 0.00 +0.292 HD ENDBRANCH 20 40 TORSDOF 7