REMARK Name = BDB008807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.652 -1.331 -0.424 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.332 -1.591 -0.064 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.036 -2.674 0.745 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.302 -2.769 0.987 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -1.865 -1.768 0.339 0.00 0.00 +0.144 A ATOM 6 N LIG 1 0.947 -3.531 1.225 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.189 -3.236 0.820 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.901 -1.031 -0.333 0.00 0.00 -0.315 N ATOM 9 N LIG 1 2.568 -2.202 0.035 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.309 -1.536 0.302 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.158 -2.565 -0.124 0.00 0.00 +0.041 A ATOM 12 C LIG 1 -5.537 -2.402 -0.178 0.00 0.00 +0.090 A ATOM 13 C LIG 1 -6.101 -1.165 0.223 0.00 0.00 +0.089 A ATOM 14 N LIG 1 -7.430 -0.952 0.185 0.00 0.00 -0.252 NA ATOM 15 C LIG 1 -8.190 -1.982 -0.248 0.00 0.00 +0.131 A ATOM 16 C LIG 1 -7.643 -3.186 -0.640 0.00 0.00 +0.131 A ATOM 17 C LIG 1 -5.259 -0.154 0.665 0.00 0.00 +0.030 A ATOM 18 N LIG 1 -6.312 -3.414 -0.616 0.00 0.00 -0.252 NA ATOM 19 C LIG 1 -3.874 -0.328 0.713 0.00 0.00 +0.014 A ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 2.024 -0.253 -1.214 0.00 0.00 -0.324 N ATOM 21 H LIG 1 1.449 0.561 -1.030 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 4.238 -0.918 -2.149 0.00 0.00 +0.028 C ATOM 23 C LIG 1 3.433 0.130 -1.384 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 4.117 0.519 -0.073 0.00 0.00 +0.009 C ATOM 25 C LIG 1 3.503 1.725 0.695 0.00 0.00 +0.005 C ATOM 26 C LIG 1 4.942 2.120 1.081 0.00 0.00 +0.001 C ATOM 27 C LIG 1 5.408 1.379 -0.189 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 3.304 -4.133 1.289 0.00 0.00 +0.375 C ATOM 29 O LIG 1 4.494 -4.008 1.045 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 2.882 -5.163 2.058 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 3.702 -5.649 2.280 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 -1.162 0.046 -1.280 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -0.838 1.433 -0.762 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.629 1.734 0.592 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.318 3.036 0.996 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.223 4.073 0.060 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.436 3.779 -1.293 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.747 2.478 -1.696 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 0.144 5.471 0.496 0.00 0.00 +0.417 C ATOM 40 F LIG 1 1.491 5.665 0.522 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.359 6.436 -0.324 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.304 5.775 1.746 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9