REMARK Name = BDB035728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.101 -0.961 0.452 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.276 -1.682 0.689 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.476 -2.715 1.301 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.364 -0.961 0.015 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.710 -1.272 -0.035 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.559 -0.417 -0.753 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.022 0.731 -1.384 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.647 1.032 -1.327 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.832 0.160 -0.611 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.360 0.215 -0.364 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.609 -0.755 1.043 0.00 0.00 -0.035 A ATOM 12 C LIG 1 2.311 -0.488 0.569 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.200 -1.272 0.940 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.422 -2.350 1.801 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.700 -2.629 2.290 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.783 -1.837 1.918 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 4.831 0.065 0.630 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 4.621 1.559 0.735 0.00 0.00 +0.141 A ATOM 19 N LIG 1 4.242 2.456 -0.239 0.00 0.00 -0.320 N ATOM 20 C LIG 1 3.934 2.246 -1.627 0.00 0.00 +0.151 C ATOM 21 C LIG 1 4.222 3.682 0.360 0.00 0.00 +0.224 A ATOM 22 N LIG 1 4.572 3.567 1.615 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 4.824 2.242 1.850 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 26 ATOM 24 C LIG 1 7.404 -1.246 -0.690 0.00 0.00 +0.056 C ATOM 25 C LIG 1 6.774 0.098 -1.125 0.00 0.00 +0.015 C ATOM 26 C LIG 1 5.373 -0.441 -0.719 0.00 0.00 +0.005 C ATOM 27 C LIG 1 5.992 -1.867 -0.795 0.00 0.00 +0.015 C BRANCH 24 29 ATOM 28 C LIG 1 9.491 -0.671 0.761 0.00 0.00 +0.086 C ATOM 29 C LIG 1 8.122 -1.302 0.689 0.00 0.00 +0.133 C ATOM 30 O LIG 1 7.638 -1.836 1.693 0.00 0.00 -0.297 OA ENDBRANCH 24 29 ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 -2.079 2.258 -1.989 0.00 0.00 +0.418 C ATOM 32 F LIG 1 -2.946 2.880 -2.832 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.687 3.197 -1.085 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -0.970 1.979 -2.732 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 -6.045 -0.703 -0.814 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 -6.695 -0.267 0.421 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 -6.383 0.679 0.639 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 -8.158 -0.424 0.370 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -8.745 0.330 1.602 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -9.781 0.954 0.643 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -8.785 0.697 -0.507 0.00 0.00 +0.022 C ATOM 42 C LIG 1 -8.644 -1.852 0.200 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9