REMARK Name = BDB026560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.042 2.668 -1.435 0.00 0.00 +0.076 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.485 -0.006 -2.548 0.00 0.00 -0.007 A ATOM 3 C LIG 1 1.467 0.939 -2.584 0.00 0.00 +0.148 A ATOM 4 F LIG 1 0.813 1.183 -3.729 0.00 0.00 -0.203 F ATOM 5 C LIG 1 1.137 1.631 -1.426 0.00 0.00 +0.080 A ATOM 6 N LIG 1 1.784 1.423 -0.253 0.00 0.00 -0.234 NA ATOM 7 C LIG 1 2.769 0.496 -0.197 0.00 0.00 +0.125 A ATOM 8 C LIG 1 3.146 -0.217 -1.331 0.00 0.00 +0.050 A BRANCH 2 10 ATOM 9 C LIG 1 3.930 0.022 -4.596 0.00 0.00 +0.009 C ATOM 10 C LIG 1 2.896 -0.749 -3.790 0.00 0.00 +0.035 C ENDBRANCH 2 10 BRANCH 7 11 ATOM 11 N LIG 1 3.363 0.353 1.051 0.00 0.00 -0.283 N ATOM 12 H LIG 1 3.018 1.087 1.659 0.00 0.00 +0.155 HD BRANCH 11 13 ATOM 13 C LIG 1 4.174 -0.545 1.638 0.00 0.00 +0.146 A ATOM 14 N LIG 1 4.757 -0.297 2.814 0.00 0.00 -0.158 NA ATOM 15 N LIG 1 5.462 -1.402 3.086 0.00 0.00 -0.280 N ATOM 16 H LIG 1 6.007 -1.424 3.942 0.00 0.00 +0.189 HD ATOM 17 C LIG 1 5.325 -2.383 2.147 0.00 0.00 +0.035 A ATOM 18 C LIG 1 5.990 -3.697 2.266 0.00 0.00 +0.065 C ATOM 19 C LIG 1 4.481 -1.853 1.195 0.00 0.00 +0.068 A ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 C LIG 1 -1.369 2.199 -0.981 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -1.904 0.942 -1.719 0.00 0.00 +0.034 C ATOM 22 C LIG 1 -1.801 -0.326 -0.872 0.00 0.00 +0.086 C ATOM 23 N LIG 1 -2.546 -0.247 0.388 0.00 0.00 -0.298 NA ATOM 24 C LIG 1 -2.602 1.111 0.958 0.00 0.00 +0.086 C ATOM 25 C LIG 1 -1.387 1.950 0.554 0.00 0.00 +0.034 C BRANCH 20 26 ATOM 26 C LIG 1 -2.310 3.374 -1.294 0.00 0.00 +0.311 C ATOM 27 O LIG 1 -2.819 4.103 -0.456 0.00 0.00 -0.250 OA BRANCH 26 28 ATOM 28 O LIG 1 -2.532 3.579 -2.615 0.00 0.00 -0.480 OA ATOM 29 H LIG 1 -2.091 2.956 -3.223 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 20 26 BRANCH 23 30 ATOM 30 C LIG 1 -3.888 -0.848 0.279 0.00 0.00 +0.122 C BRANCH 30 31 ATOM 31 C LIG 1 -4.558 -1.086 1.614 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -5.891 -0.713 1.812 0.00 0.00 +0.146 A ATOM 33 F LIG 1 -6.563 -0.125 0.808 0.00 0.00 -0.204 F ATOM 34 C LIG 1 -6.529 -0.952 3.030 0.00 0.00 +0.076 A ATOM 35 CL LIG 1 -8.170 -0.484 3.267 0.00 0.00 -0.081 Cl ATOM 36 C LIG 1 -5.841 -1.580 4.068 0.00 0.00 +0.023 A ATOM 37 C LIG 1 -4.515 -1.971 3.882 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -3.879 -1.731 2.662 0.00 0.00 +0.008 A ENDBRANCH 30 31 ENDBRANCH 23 30 ENDBRANCH 1 20 TORSDOF 9