REMARK Name = BDB027477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.510 -0.338 1.086 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.361 -1.103 0.301 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.178 -2.247 -0.294 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.462 -2.661 -0.177 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.296 -1.915 0.584 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.849 -0.758 1.220 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.688 -2.408 0.679 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.494 -2.165 1.807 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.803 -2.643 1.866 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -6.540 -2.392 2.957 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.338 -3.372 0.815 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.596 -3.829 0.878 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.571 -3.637 -0.310 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.257 -3.160 -0.373 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.708 -0.725 0.153 0.00 0.00 -0.327 N ATOM 16 C LIG 1 2.055 -0.370 -1.252 0.00 0.00 +0.129 C ATOM 17 C LIG 1 3.566 0.011 -1.348 0.00 0.00 +0.064 C ATOM 18 C LIG 1 4.366 -1.297 -1.011 0.00 0.00 +0.137 C ATOM 19 C LIG 1 3.627 -2.282 -0.088 0.00 0.00 +0.052 C ATOM 20 C LIG 1 2.649 -1.616 0.863 0.00 0.00 +0.108 C BRANCH 17 21 ATOM 21 N LIG 1 3.808 1.092 -0.360 0.00 0.00 -0.321 NA ATOM 22 H LIG 1 4.808 1.287 -0.279 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 3.466 0.811 0.556 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 18 24 ATOM 24 O LIG 1 4.730 -2.023 -2.193 0.00 0.00 -0.390 OA ATOM 25 H LIG 1 3.947 -2.468 -2.557 0.00 0.00 +0.210 HD ENDBRANCH 18 24 BRANCH 17 26 ATOM 26 C LIG 1 3.871 0.577 -2.757 0.00 0.00 +0.098 C BRANCH 26 27 ATOM 27 C LIG 1 5.297 1.062 -2.992 0.00 0.00 +0.343 C ATOM 28 F LIG 1 5.606 2.089 -2.162 0.00 0.00 -0.209 F ATOM 29 F LIG 1 6.209 0.095 -2.756 0.00 0.00 -0.209 F ENDBRANCH 26 27 ENDBRANCH 17 26 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -0.066 0.930 1.778 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -2.612 4.747 0.223 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -1.518 3.868 0.292 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -0.304 3.840 -0.364 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 0.317 2.787 0.127 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -0.456 2.113 1.035 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -1.631 2.802 1.169 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -2.673 2.514 1.969 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -3.662 3.418 1.810 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -3.696 4.491 0.990 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -2.644 5.859 -0.609 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -3.588 6.152 -0.819 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -1.980 5.807 -1.374 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 9