REMARK Name = BDB063782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.280 -0.896 1.343 0.00 0.00 +0.252 C ATOM 2 N LIG 1 -0.803 -0.182 0.794 0.00 0.00 -0.253 N ATOM 3 O LIG 1 0.164 -1.695 2.271 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -0.612 1.087 0.163 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -1.286 1.411 -1.017 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.085 2.649 -1.635 0.00 0.00 +0.022 A ATOM 7 C LIG 1 -0.210 3.574 -1.073 0.00 0.00 +0.041 A ATOM 8 CL LIG 1 0.034 5.095 -1.835 0.00 0.00 -0.084 Cl ATOM 9 C LIG 1 0.467 3.270 0.103 0.00 0.00 +0.022 A ATOM 10 C LIG 1 0.267 2.031 0.719 0.00 0.00 +0.025 A ENDBRANCH 2 4 BRANCH 1 14 ATOM 11 C LIG 1 4.211 -0.605 -0.368 0.00 0.00 +0.059 A ATOM 12 C LIG 1 4.033 -0.655 1.022 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.749 -0.748 1.567 0.00 0.00 +0.014 A ATOM 14 C LIG 1 1.631 -0.774 0.725 0.00 0.00 +0.037 A ATOM 15 C LIG 1 1.805 -0.753 -0.664 0.00 0.00 +0.014 A ATOM 16 C LIG 1 3.090 -0.660 -1.208 0.00 0.00 +0.016 A BRANCH 11 17 ATOM 17 C LIG 1 5.601 -0.504 -0.894 0.00 0.00 +0.339 C ATOM 18 O LIG 1 6.588 -0.443 -0.178 0.00 0.00 -0.245 OA BRANCH 17 20 ATOM 19 C LIG 1 6.902 -0.394 -2.829 0.00 0.00 +0.280 C ATOM 20 O LIG 1 5.600 -0.490 -2.250 0.00 0.00 -0.464 OA ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 1 14 BRANCH 2 21 ATOM 21 C LIG 1 -2.170 -0.520 1.297 0.00 0.00 +0.184 C BRANCH 21 22 ATOM 22 C LIG 1 -2.766 0.581 2.189 0.00 0.00 -0.001 A ATOM 23 C LIG 1 -3.695 1.560 1.786 0.00 0.00 +0.049 A ATOM 24 CL LIG 1 -4.333 1.681 0.186 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 -4.145 2.530 2.691 0.00 0.00 +0.058 A ATOM 26 C LIG 1 -3.671 2.539 3.994 0.00 0.00 +0.125 A ATOM 27 F LIG 1 -4.106 3.474 4.848 0.00 0.00 -0.205 F ATOM 28 C LIG 1 -2.749 1.599 4.421 0.00 0.00 +0.039 A ATOM 29 C LIG 1 -2.297 0.630 3.526 0.00 0.00 +0.010 A ENDBRANCH 21 22 BRANCH 21 30 ATOM 30 C LIG 1 -3.143 -1.251 0.349 0.00 0.00 +0.188 C ATOM 31 O LIG 1 -4.347 -1.381 0.576 0.00 0.00 -0.290 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.617 -1.967 -0.838 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -3.259 -1.776 -2.068 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -2.792 -2.435 -3.207 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -1.701 -3.299 -3.107 0.00 0.00 +0.041 A ATOM 36 CL LIG 1 -1.120 -4.105 -4.511 0.00 0.00 -0.084 Cl ATOM 37 C LIG 1 -1.084 -3.521 -1.876 0.00 0.00 +0.020 A ATOM 38 C LIG 1 -1.549 -2.863 -0.735 0.00 0.00 +0.013 A ENDBRANCH 30 32 ENDBRANCH 21 30 ENDBRANCH 2 21 TORSDOF 8