REMARK Name = BDB038347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.703 1.433 1.377 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.520 1.085 0.928 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.688 -0.114 0.322 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.365 -1.003 0.159 0.00 0.00 +0.054 A ATOM 5 C LIG 1 1.623 -0.663 0.655 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.784 0.569 1.282 0.00 0.00 +0.053 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.988 -0.407 -0.129 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -2.443 -1.581 -0.709 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -1.872 -2.627 -0.956 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -3.867 -1.377 -1.002 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -4.759 -2.254 -1.589 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -6.064 -1.803 -1.749 0.00 0.00 +0.118 A ATOM 13 C LIG 1 -6.455 -0.521 -1.333 0.00 0.00 +0.058 A ATOM 14 C LIG 1 -5.534 0.359 -0.736 0.00 0.00 +0.064 A ATOM 15 C LIG 1 -4.229 -0.099 -0.579 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -3.038 0.588 0.013 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -5.937 1.736 -0.283 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -5.217 2.712 -0.901 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -7.245 2.030 -0.511 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -5.737 1.916 1.052 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 O LIG 1 -7.020 -2.592 -2.318 0.00 0.00 -0.507 OA ATOM 22 H LIG 1 -6.622 -3.445 -2.565 0.00 0.00 +0.292 HD ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 5 23 ATOM 23 C LIG 1 2.754 -1.582 0.519 0.00 0.00 +0.079 A ATOM 24 N LIG 1 2.785 -2.846 1.073 0.00 0.00 -0.266 N ATOM 25 C LIG 1 1.774 -3.476 1.893 0.00 0.00 +0.173 C ATOM 26 N LIG 1 3.919 -3.527 0.809 0.00 0.00 -0.179 NA ATOM 27 C LIG 1 4.637 -2.671 0.082 0.00 0.00 +0.146 A ATOM 28 C LIG 1 3.976 -1.447 -0.127 0.00 0.00 +0.064 A BRANCH 28 29 ATOM 29 C LIG 1 4.468 -0.192 -0.918 0.00 0.00 +0.167 A ATOM 30 N LIG 1 5.653 -0.014 -1.586 0.00 0.00 -0.316 N ATOM 31 C LIG 1 6.739 -0.940 -1.748 0.00 0.00 +0.152 C ATOM 32 C LIG 1 5.620 1.248 -2.098 0.00 0.00 +0.225 A ATOM 33 N LIG 1 4.490 1.825 -1.774 0.00 0.00 -0.138 NA ATOM 34 N LIG 1 3.764 0.918 -1.041 0.00 0.00 -0.129 NA ENDBRANCH 28 29 ENDBRANCH 5 23 BRANCH 1 35 ATOM 35 N LIG 1 0.908 2.675 2.009 0.00 0.00 -0.329 N ATOM 36 H LIG 1 1.730 3.103 1.585 0.00 0.00 +0.147 HD BRANCH 35 38 ATOM 37 C LIG 1 0.104 4.864 2.688 0.00 0.00 +0.024 C ATOM 38 C LIG 1 -0.245 3.568 1.973 0.00 0.00 +0.099 C ENDBRANCH 35 38 ENDBRANCH 1 35 TORSDOF 7