REMARK Name = BDB019792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.536 -0.472 -1.032 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.704 -1.758 -0.636 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -1.695 -2.022 0.241 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -2.555 -1.034 0.717 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -2.374 0.290 0.304 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.339 0.573 -0.593 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.818 -3.434 0.630 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -1.592 -3.893 1.950 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -1.747 -5.264 2.241 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -2.093 -6.162 1.239 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -2.231 -7.460 1.538 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -2.291 -5.734 -0.063 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.150 -4.379 -0.365 0.00 0.00 +0.013 A BRANCH 8 14 ATOM 14 C LIG 1 -1.189 -2.953 3.062 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -0.181 -2.103 2.728 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -2.227 -2.167 3.467 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -0.765 -3.598 4.186 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 1.280 0.952 -1.837 0.00 0.00 -0.306 N ATOM 19 H LIG 1 1.179 1.454 -0.966 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 0.570 -0.225 -2.013 0.00 0.00 +0.263 C ATOM 21 O LIG 1 0.814 -1.033 -2.902 0.00 0.00 -0.269 OA BRANCH 18 22 ATOM 22 C LIG 1 2.473 1.228 -2.606 0.00 0.00 +0.140 C BRANCH 22 27 ATOM 23 C LIG 1 5.325 -0.519 -0.776 0.00 0.00 +0.124 A ATOM 24 C LIG 1 5.968 0.562 -0.166 0.00 0.00 +0.091 A ATOM 25 C LIG 1 5.483 1.860 -0.348 0.00 0.00 +0.124 A ATOM 26 C LIG 1 4.354 2.072 -1.145 0.00 0.00 +0.051 A ATOM 27 C LIG 1 3.704 1.002 -1.770 0.00 0.00 -0.023 A ATOM 28 C LIG 1 4.198 -0.294 -1.571 0.00 0.00 +0.051 A BRANCH 23 30 ATOM 29 C LIG 1 6.820 -2.134 0.135 0.00 0.00 +0.277 C ATOM 30 O LIG 1 5.694 -1.834 -0.677 0.00 0.00 -0.495 OA ENDBRANCH 23 30 BRANCH 25 31 ATOM 31 O LIG 1 6.011 3.001 0.195 0.00 0.00 -0.495 OA ATOM 32 C LIG 1 7.172 2.855 1.004 0.00 0.00 +0.277 C ENDBRANCH 25 31 ENDBRANCH 22 27 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 33 ATOM 33 C LIG 1 -3.292 1.388 0.780 0.00 0.00 +0.138 C BRANCH 33 34 ATOM 34 N LIG 1 -4.148 1.796 -0.312 0.00 0.00 -0.329 N ATOM 35 H LIG 1 -4.486 1.044 -0.903 0.00 0.00 +0.147 HD BRANCH 34 36 ATOM 36 C LIG 1 -4.935 2.909 -0.216 0.00 0.00 +0.090 C ATOM 37 C LIG 1 -6.014 3.146 -1.238 0.00 0.00 +0.073 C ATOM 38 C LIG 1 -6.867 4.130 -0.477 0.00 0.00 +0.031 C ATOM 39 C LIG 1 -5.846 4.833 0.397 0.00 0.00 +0.143 C ATOM 40 N LIG 1 -4.818 3.819 0.701 0.00 0.00 -0.273 NA ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 10