REMARK Name = BDB019793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.070 0.873 1.139 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.406 2.119 1.389 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -1.562 2.483 0.796 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -2.279 1.625 -0.035 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -1.780 0.345 -0.296 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.579 -0.037 0.312 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.020 3.843 1.114 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -2.091 4.878 0.150 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -2.556 6.151 0.536 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -2.919 6.398 1.855 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -3.355 7.616 2.199 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -2.831 5.405 2.815 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.380 4.137 2.447 0.00 0.00 +0.013 A BRANCH 8 14 ATOM 14 C LIG 1 -1.683 4.654 -1.287 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -1.587 5.808 -2.007 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -0.479 4.037 -1.428 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -2.583 3.882 -1.962 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 2.192 -0.342 1.153 0.00 0.00 -0.302 N ATOM 19 H LIG 1 2.027 -0.601 0.187 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 1.349 0.510 1.835 0.00 0.00 +0.263 C ATOM 21 O LIG 1 1.622 0.961 2.943 0.00 0.00 -0.269 OA BRANCH 18 22 ATOM 22 C LIG 1 3.485 -0.750 1.684 0.00 0.00 +0.119 C ATOM 23 C LIG 1 3.314 -1.883 2.695 0.00 0.00 +0.034 C BRANCH 22 29 ATOM 24 C LIG 1 6.795 -2.494 -2.733 0.00 0.00 +0.047 C ATOM 25 C LIG 1 5.989 -2.029 -1.560 0.00 0.00 -0.014 A ATOM 26 C LIG 1 6.567 -1.584 -0.369 0.00 0.00 +0.047 A ATOM 27 CL LIG 1 8.282 -1.542 -0.163 0.00 0.00 -0.083 Cl ATOM 28 C LIG 1 5.773 -1.162 0.693 0.00 0.00 +0.045 A ATOM 29 C LIG 1 4.393 -1.191 0.542 0.00 0.00 +0.063 A ATOM 30 N LIG 1 3.797 -1.620 -0.606 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 4.603 -2.023 -1.616 0.00 0.00 +0.115 A ENDBRANCH 22 29 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 32 ATOM 32 C LIG 1 -2.527 -0.614 -1.185 0.00 0.00 +0.138 C BRANCH 32 33 ATOM 33 N LIG 1 -3.070 -1.686 -0.390 0.00 0.00 -0.329 N ATOM 34 H LIG 1 -3.425 -1.421 0.525 0.00 0.00 +0.147 HD BRANCH 33 35 ATOM 35 C LIG 1 -3.723 -2.769 -0.896 0.00 0.00 +0.090 C ATOM 36 C LIG 1 -3.553 -3.241 -2.313 0.00 0.00 +0.073 C ATOM 37 C LIG 1 -4.786 -4.102 -2.439 0.00 0.00 +0.031 C ATOM 38 C LIG 1 -5.005 -4.573 -1.014 0.00 0.00 +0.143 C ATOM 39 N LIG 1 -4.524 -3.474 -0.154 0.00 0.00 -0.273 NA ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8