REMARK Name = BDB000339 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.659 -0.352 -0.512 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.918 -1.456 -0.073 0.00 0.00 +0.010 A ATOM 3 C LIG 1 0.476 -1.388 0.045 0.00 0.00 +0.023 A ATOM 4 C LIG 1 1.171 -0.209 -0.242 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.429 0.877 -0.725 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.964 0.815 -0.849 0.00 0.00 +0.010 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -4.002 0.092 0.303 0.00 0.00 +0.056 A ATOM 8 C LIG 1 -3.120 -0.428 -0.642 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -3.737 -1.034 -1.738 0.00 0.00 +0.129 A ATOM 10 N LIG 1 -5.067 -1.122 -1.889 0.00 0.00 -0.199 NA ATOM 11 C LIG 1 -5.818 -0.599 -0.922 0.00 0.00 +0.214 A ATOM 12 N LIG 1 -5.347 0.023 0.158 0.00 0.00 -0.219 NA BRANCH 9 13 ATOM 13 N LIG 1 -2.993 -1.652 -2.749 0.00 0.00 -0.343 N ATOM 14 H LIG 1 -3.638 -1.959 -3.471 0.00 0.00 +0.144 HD ATOM 15 H LIG 1 -2.253 -1.056 -3.103 0.00 0.00 +0.144 HD ENDBRANCH 9 13 BRANCH 11 16 ATOM 16 N LIG 1 -7.187 -0.660 -1.071 0.00 0.00 -0.327 N ATOM 17 H LIG 1 -7.621 0.086 -0.547 0.00 0.00 +0.145 HD ATOM 18 H LIG 1 -7.424 -0.748 -2.049 0.00 0.00 +0.145 HD ENDBRANCH 11 16 BRANCH 7 20 ATOM 19 C LIG 1 -3.588 2.291 1.441 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -3.540 0.775 1.567 0.00 0.00 +0.053 C ENDBRANCH 7 20 ENDBRANCH 1 8 BRANCH 4 21 ATOM 21 N LIG 1 2.564 -0.100 -0.210 0.00 0.00 -0.340 N ATOM 22 H LIG 1 2.866 0.862 -0.077 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 3.345 -1.045 0.575 0.00 0.00 +0.137 C BRANCH 23 24 ATOM 24 C LIG 1 4.796 -0.630 0.539 0.00 0.00 -0.025 A ATOM 25 C LIG 1 5.410 -0.057 1.663 0.00 0.00 +0.043 A ATOM 26 C LIG 1 6.747 0.331 1.605 0.00 0.00 +0.126 A ATOM 27 F LIG 1 7.319 0.874 2.687 0.00 0.00 -0.205 F ATOM 28 C LIG 1 7.495 0.168 0.448 0.00 0.00 +0.076 A ATOM 29 C LIG 1 6.886 -0.391 -0.666 0.00 0.00 +0.126 A ATOM 30 F LIG 1 7.592 -0.550 -1.793 0.00 0.00 -0.205 F ATOM 31 C LIG 1 5.551 -0.788 -0.634 0.00 0.00 +0.043 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 7