REMARK Name = BDB019666 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.014 -0.991 -0.042 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.022 0.366 -0.126 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -1.137 1.005 -0.397 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -2.337 0.319 -0.578 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -2.358 -1.080 -0.492 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.166 -1.747 -0.209 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.039 2.473 -0.470 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -0.065 3.127 -1.266 0.00 0.00 +0.067 A ATOM 9 C LIG 1 0.001 4.536 -1.261 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -0.887 5.281 -0.498 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -0.810 6.617 -0.512 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -1.852 4.659 0.277 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -1.925 3.266 0.292 0.00 0.00 +0.013 A BRANCH 8 14 ATOM 14 C LIG 1 0.916 2.361 -2.129 0.00 0.00 +0.418 C ATOM 15 F LIG 1 0.346 1.343 -2.833 0.00 0.00 -0.166 F ATOM 16 F LIG 1 1.952 1.826 -1.428 0.00 0.00 -0.166 F ATOM 17 F LIG 1 1.500 3.154 -3.078 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 2.367 -0.829 0.348 0.00 0.00 -0.302 N ATOM 19 H LIG 1 2.206 0.173 0.247 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 1.286 -1.672 0.261 0.00 0.00 +0.263 C ATOM 21 O LIG 1 1.350 -2.886 0.417 0.00 0.00 -0.269 OA BRANCH 18 22 ATOM 22 C LIG 1 3.698 -1.268 0.722 0.00 0.00 +0.119 C ATOM 23 C LIG 1 3.800 -1.479 2.233 0.00 0.00 +0.034 C BRANCH 22 30 ATOM 24 C LIG 1 7.981 -0.148 -1.695 0.00 0.00 +0.045 C ATOM 25 C LIG 1 6.785 0.291 -0.901 0.00 0.00 -0.029 A ATOM 26 C LIG 1 6.563 1.632 -0.573 0.00 0.00 +0.062 A ATOM 27 CL LIG 1 7.642 2.888 -1.047 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 5.431 1.955 0.162 0.00 0.00 +0.131 A ATOM 29 N LIG 1 4.516 1.052 0.589 0.00 0.00 -0.257 NA ATOM 30 C LIG 1 4.731 -0.250 0.263 0.00 0.00 +0.062 A ATOM 31 C LIG 1 5.846 -0.659 -0.472 0.00 0.00 +0.030 A ENDBRANCH 22 30 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 32 ATOM 32 C LIG 1 -3.652 -1.835 -0.659 0.00 0.00 +0.138 C BRANCH 32 33 ATOM 33 N LIG 1 -4.396 -1.769 0.581 0.00 0.00 -0.329 N ATOM 34 H LIG 1 -3.840 -1.893 1.419 0.00 0.00 +0.147 HD BRANCH 33 35 ATOM 35 C LIG 1 -5.698 -2.179 0.643 0.00 0.00 +0.090 C ATOM 36 C LIG 1 -6.343 -2.398 1.984 0.00 0.00 +0.073 C ATOM 37 C LIG 1 -7.503 -3.266 1.565 0.00 0.00 +0.031 C ATOM 38 C LIG 1 -7.773 -2.784 0.153 0.00 0.00 +0.143 C ATOM 39 N LIG 1 -6.459 -2.386 -0.388 0.00 0.00 -0.273 NA ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8