REMARK Name = BDB041755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.465 -0.324 1.101 0.00 0.00 +0.083 C ATOM 2 C LIG 1 0.780 -0.490 0.210 0.00 0.00 +0.172 C ATOM 3 C LIG 1 1.293 -1.952 0.255 0.00 0.00 +0.242 C ATOM 4 O LIG 1 2.504 -2.191 0.322 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 0.335 -2.972 0.102 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.005 -2.638 0.354 0.00 0.00 +0.135 A ATOM 7 N LIG 1 -2.139 -3.446 0.354 0.00 0.00 -0.218 N ATOM 8 N LIG 1 -3.246 -2.680 0.184 0.00 0.00 -0.170 NA ATOM 9 C LIG 1 -2.869 -1.453 0.568 0.00 0.00 +0.066 A ATOM 10 C LIG 1 -3.922 -0.419 0.742 0.00 0.00 +0.068 C ATOM 11 C LIG 1 -1.458 -1.377 0.717 0.00 0.00 +0.025 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -1.854 3.062 -0.113 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -1.277 1.783 -0.115 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -1.122 1.042 1.070 0.00 0.00 -0.036 A ATOM 15 C LIG 1 -1.571 1.615 2.271 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -2.162 2.878 2.279 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -2.303 3.598 1.092 0.00 0.00 +0.023 A BRANCH 12 19 ATOM 18 C LIG 1 -2.459 4.978 -1.607 0.00 0.00 +0.276 C ATOM 19 N LIG 1 -1.928 3.731 -1.350 0.00 0.00 -0.280 N ATOM 20 H LIG 1 -1.512 3.252 -2.143 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 -2.998 5.737 -0.811 0.00 0.00 -0.267 OA BRANCH 18 23 ATOM 22 C LIG 1 -2.737 6.509 -3.558 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -2.316 5.350 -3.049 0.00 0.00 +0.178 C ATOM 24 F LIG 1 -1.724 4.431 -3.842 0.00 0.00 -0.201 F ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 1 14 BRANCH 7 25 ATOM 25 C LIG 1 -2.305 -4.817 0.695 0.00 0.00 +0.067 A ATOM 26 C LIG 1 -3.458 -5.494 0.273 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -3.656 -6.830 0.630 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -2.719 -7.486 1.426 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -1.589 -6.807 1.879 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -1.384 -5.471 1.525 0.00 0.00 +0.028 A ENDBRANCH 7 25 BRANCH 2 31 ATOM 31 N LIG 1 1.883 0.403 0.592 0.00 0.00 -0.299 N ATOM 32 H LIG 1 2.585 -0.008 1.199 0.00 0.00 +0.150 HD ATOM 33 C LIG 1 2.303 1.407 -0.256 0.00 0.00 +0.245 C ATOM 34 O LIG 1 1.727 1.700 -1.297 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 3.549 2.124 0.135 0.00 0.00 +0.037 A ATOM 36 C LIG 1 4.314 2.729 -0.873 0.00 0.00 +0.025 A ATOM 37 C LIG 1 5.491 3.426 -0.558 0.00 0.00 +0.056 A ATOM 38 C LIG 1 5.894 3.503 0.784 0.00 0.00 +0.012 A ATOM 39 C LIG 1 5.126 2.916 1.792 0.00 0.00 +0.001 A ATOM 40 C LIG 1 3.953 2.232 1.470 0.00 0.00 +0.013 A BRANCH 37 41 ATOM 41 C LIG 1 6.324 4.048 -1.651 0.00 0.00 +0.417 C ATOM 42 F LIG 1 7.091 5.087 -1.215 0.00 0.00 -0.166 F ATOM 43 F LIG 1 7.187 3.157 -2.212 0.00 0.00 -0.166 F ATOM 44 F LIG 1 5.578 4.545 -2.676 0.00 0.00 -0.166 F ENDBRANCH 37 41 ENDBRANCH 33 35 ENDBRANCH 2 31 BRANCH 5 45 ATOM 45 C LIG 1 0.812 -4.215 -0.507 0.00 0.00 +0.112 C ATOM 46 C LIG 1 1.150 -4.030 -1.984 0.00 0.00 +0.025 C ENDBRANCH 5 45 TORSDOF 8