REMARK Name = BDB008785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.768 -1.544 0.649 0.00 0.00 +0.148 A ATOM 2 N LIG 1 -0.592 -0.820 0.747 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.454 -1.714 0.801 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.165 -2.953 0.800 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.487 -4.120 0.891 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.813 -3.960 0.999 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.501 -2.793 0.992 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.839 -1.627 0.875 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.520 -2.837 0.692 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -5.297 0.661 -2.110 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -4.812 0.158 -0.782 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -3.556 -0.454 -0.676 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -3.101 -0.950 0.554 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -3.939 -0.874 1.675 0.00 0.00 +0.141 A ATOM 15 C LIG 1 -5.190 -0.260 1.581 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -5.627 0.244 0.354 0.00 0.00 +0.007 A BRANCH 14 17 ATOM 17 O LIG 1 -3.477 -1.331 2.881 0.00 0.00 -0.405 OA BRANCH 17 18 ATOM 18 C LIG 1 -4.201 -2.476 3.324 0.00 0.00 +0.575 C ATOM 19 F LIG 1 -5.378 -2.095 3.871 0.00 0.00 -0.133 F ATOM 20 F LIG 1 -3.482 -3.096 4.286 0.00 0.00 -0.133 F ATOM 21 F LIG 1 -4.440 -3.355 2.330 0.00 0.00 -0.133 F ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 6 22 ATOM 22 C LIG 1 2.617 -5.228 1.128 0.00 0.00 +0.375 C ATOM 23 O LIG 1 2.190 -6.371 1.159 0.00 0.00 -0.242 OA BRANCH 22 24 ATOM 24 O LIG 1 3.951 -5.012 1.212 0.00 0.00 -0.475 OA ATOM 25 H LIG 1 4.325 -5.913 1.297 0.00 0.00 +0.296 HD ENDBRANCH 22 24 ENDBRANCH 6 22 BRANCH 8 26 ATOM 26 N LIG 1 2.524 -0.417 0.825 0.00 0.00 -0.324 N ATOM 27 H LIG 1 2.098 0.229 0.174 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 3.989 -0.457 0.756 0.00 0.00 +0.072 C ATOM 29 C LIG 1 4.557 -0.579 2.174 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 4.567 0.815 0.111 0.00 0.00 +0.009 C ATOM 31 C LIG 1 4.038 2.217 0.529 0.00 0.00 +0.005 C ATOM 32 C LIG 1 4.264 2.660 -0.931 0.00 0.00 +0.001 C ATOM 33 C LIG 1 4.130 1.177 -1.337 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 -0.511 0.625 0.904 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 C LIG 1 -0.570 1.385 -0.404 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -0.018 0.900 -1.599 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -0.075 1.658 -2.773 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.682 2.921 -2.781 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -1.217 3.418 -1.585 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -1.159 2.661 -0.412 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -0.731 3.752 -4.040 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -1.909 4.422 -4.185 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.578 3.019 -5.177 0.00 0.00 -0.166 F ATOM 44 F LIG 1 0.246 4.700 -4.071 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 11