REMARK Name = BDB009961 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.935 -1.180 -1.033 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.657 -0.671 -1.206 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.224 -1.731 -1.246 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.598 -2.844 -1.135 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.162 -4.112 -1.165 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.159 -4.186 -1.332 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.051 -3.163 -1.438 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.603 -1.892 -1.373 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.907 -2.495 -0.993 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 5.386 1.433 1.608 0.00 0.00 +0.044 C ATOM 11 C LIG 1 4.802 0.916 0.319 0.00 0.00 -0.047 A ATOM 12 C LIG 1 3.652 0.089 0.307 0.00 0.00 -0.037 A ATOM 13 C LIG 1 3.019 -0.316 1.617 0.00 0.00 +0.045 C ATOM 14 C LIG 1 3.145 -0.362 -0.932 0.00 0.00 +0.021 A ATOM 15 C LIG 1 3.803 -0.020 -2.124 0.00 0.00 +0.012 A ATOM 16 C LIG 1 4.934 0.790 -2.104 0.00 0.00 +0.001 A ATOM 17 C LIG 1 5.425 1.261 -0.891 0.00 0.00 +0.003 A ENDBRANCH 1 14 BRANCH 6 18 ATOM 18 C LIG 1 -1.783 -5.555 -1.411 0.00 0.00 +0.375 C ATOM 19 O LIG 1 -1.208 -6.624 -1.316 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 -3.130 -5.450 -1.608 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 -3.374 -4.496 -1.664 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 -2.497 -0.835 -1.445 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.196 -0.003 -0.957 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.927 -1.090 -1.266 0.00 0.00 +0.072 C ATOM 25 C LIG 1 -4.689 0.026 -1.981 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 -4.213 -1.209 0.213 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.104 -0.032 1.156 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.447 -0.653 0.886 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 29 ATOM 29 C LIG 1 0.350 0.738 -1.407 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 0.302 1.524 -0.117 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -0.413 1.085 1.006 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -0.448 1.849 2.176 0.00 0.00 +0.013 A ATOM 33 C LIG 1 0.234 3.071 2.252 0.00 0.00 +0.055 A ATOM 34 C LIG 1 0.935 3.522 1.126 0.00 0.00 +0.013 A ATOM 35 C LIG 1 0.967 2.758 -0.044 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 0.184 3.904 3.510 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -0.858 4.779 3.507 0.00 0.00 -0.166 F ATOM 38 F LIG 1 1.305 4.655 3.699 0.00 0.00 -0.166 F ATOM 39 F LIG 1 0.043 3.156 4.640 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9