REMARK Name = BDB009970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.359 -0.495 0.996 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.458 -1.496 0.632 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.621 -2.775 1.137 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.333 -3.626 0.671 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -1.123 -2.907 -0.104 0.00 0.00 +0.147 A ATOM 6 N LIG 1 1.606 -3.149 1.964 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.432 -2.140 2.266 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.663 -1.597 -0.174 0.00 0.00 -0.315 N ATOM 9 N LIG 1 2.354 -0.865 1.826 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.258 -3.483 -0.830 0.00 0.00 +0.053 A ATOM 11 C LIG 1 -3.548 -2.944 -0.764 0.00 0.00 +0.137 A ATOM 12 F LIG 1 -3.787 -1.849 -0.031 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -4.614 -3.523 -1.446 0.00 0.00 +0.077 A ATOM 14 C LIG 1 -4.392 -4.670 -2.194 0.00 0.00 +0.126 A ATOM 15 F LIG 1 -5.411 -5.235 -2.854 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -3.128 -5.245 -2.264 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -2.064 -4.657 -1.577 0.00 0.00 +0.017 A ENDBRANCH 5 10 BRANCH 1 18 ATOM 18 N LIG 1 1.273 0.817 0.587 0.00 0.00 -0.324 N ATOM 19 H LIG 1 0.653 1.053 -0.168 0.00 0.00 +0.148 HD BRANCH 18 21 ATOM 20 C LIG 1 1.793 3.154 0.878 0.00 0.00 +0.028 C ATOM 21 C LIG 1 2.380 1.743 0.815 0.00 0.00 +0.072 C BRANCH 21 22 ATOM 22 C LIG 1 3.436 1.581 -0.284 0.00 0.00 +0.009 C ATOM 23 C LIG 1 4.592 2.612 -0.434 0.00 0.00 +0.005 C ATOM 24 C LIG 1 4.564 2.307 -1.947 0.00 0.00 +0.001 C ATOM 25 C LIG 1 3.086 1.899 -1.767 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 1 18 BRANCH 7 26 ATOM 26 C LIG 1 3.587 -2.439 3.185 0.00 0.00 +0.375 C ATOM 27 O LIG 1 4.452 -1.659 3.550 0.00 0.00 -0.242 OA BRANCH 26 28 ATOM 28 O LIG 1 3.618 -3.723 3.614 0.00 0.00 -0.475 OA ATOM 29 H LIG 1 4.406 -3.762 4.193 0.00 0.00 +0.296 HD ENDBRANCH 26 28 ENDBRANCH 7 26 BRANCH 8 30 ATOM 30 C LIG 1 -1.146 -0.581 -1.104 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -1.788 0.633 -0.469 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -1.863 1.816 -1.225 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -2.439 2.973 -0.693 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -2.960 2.976 0.607 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -2.914 1.791 1.353 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -2.338 0.633 0.820 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -3.599 4.220 1.173 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -4.904 4.344 0.805 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -2.984 5.364 0.759 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -3.586 4.263 2.534 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 9