REMARK Name = BDB026155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.667 -0.515 -0.322 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.157 0.631 -0.399 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.546 0.503 -0.509 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.159 -0.764 -0.556 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.319 -1.886 -0.483 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.840 -3.123 -0.534 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.066 -1.774 -0.369 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.619 -0.896 -0.679 0.00 0.00 +0.021 A ATOM 9 C LIG 1 4.392 -0.104 -1.504 0.00 0.00 +0.124 A ATOM 10 N LIG 1 5.735 -0.201 -1.633 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 6.371 -1.132 -0.905 0.00 0.00 +0.218 A ATOM 12 N LIG 1 5.713 -1.956 -0.074 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 4.370 -1.821 0.018 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 7.753 -1.271 -1.043 0.00 0.00 -0.295 N ATOM 15 C LIG 1 8.405 -1.905 0.113 0.00 0.00 +0.136 C ATOM 16 C LIG 1 9.904 -2.093 -0.167 0.00 0.00 +0.179 C ATOM 17 O LIG 1 10.535 -0.854 -0.528 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 9.926 -0.326 -1.717 0.00 0.00 +0.179 C ATOM 19 C LIG 1 8.428 -0.052 -1.514 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -4.050 -1.329 0.707 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -2.625 -0.837 1.069 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -2.065 -0.329 -0.208 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -2.844 -0.915 -1.319 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -3.781 -1.932 -0.675 0.00 0.00 +0.039 C BRANCH 20 25 ATOM 25 N LIG 1 -4.646 -2.273 1.670 0.00 0.00 -0.299 NA ATOM 26 C LIG 1 -4.791 -1.662 2.994 0.00 0.00 +0.105 C BRANCH 25 27 ATOM 27 C LIG 1 -5.917 -2.879 1.215 0.00 0.00 +0.112 C BRANCH 27 28 ATOM 28 C LIG 1 -7.093 -1.947 0.847 0.00 0.00 +0.174 C BRANCH 28 30 ATOM 29 C LIG 1 -8.468 -1.961 2.788 0.00 0.00 +0.194 C ATOM 30 O LIG 1 -7.608 -1.201 1.950 0.00 0.00 -0.382 OA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 20 25 ENDBRANCH 1 22 BRANCH 2 31 ATOM 31 N LIG 1 -0.524 1.866 -0.363 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -1.533 1.734 -0.293 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 0.002 3.130 -0.418 0.00 0.00 +0.250 C ATOM 34 O LIG 1 1.184 3.445 -0.468 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -1.044 4.191 -0.358 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -2.031 4.426 -1.408 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -2.922 5.427 -1.259 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -2.908 6.281 -0.045 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -3.724 7.181 0.105 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -1.931 5.992 0.874 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -1.907 6.588 1.695 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -1.014 4.981 0.727 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.002 3.573 -2.638 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -2.415 2.308 -2.371 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.828 4.043 -3.610 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -0.767 3.490 -3.188 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 10