REMARK Name = BDB036027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.427 -0.054 -1.191 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.816 0.998 -1.915 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.435 1.263 -1.813 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.686 0.440 -0.977 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.776 0.469 -0.669 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.952 -0.635 0.267 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.261 -1.288 0.514 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.523 -2.247 1.217 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.288 -0.596 -0.274 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.641 -0.867 -0.360 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.219 -0.964 0.822 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.367 -0.225 0.479 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.663 -0.503 0.985 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.757 -1.582 1.880 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.637 -2.329 2.243 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.382 -2.021 1.717 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.924 0.387 0.521 0.00 0.00 +0.058 C ATOM 18 C LIG 1 -7.289 0.283 1.286 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -6.800 1.432 2.201 0.00 0.00 +0.094 C ATOM 20 C LIG 1 -5.914 1.884 1.018 0.00 0.00 +0.037 C BRANCH 17 21 ATOM 21 C LIG 1 -6.107 0.266 -1.043 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.455 -0.846 -1.760 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.745 -2.162 -1.263 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.445 -0.467 -3.066 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -6.103 0.797 -3.154 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.882 1.258 -1.878 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 C LIG 1 -7.816 2.366 2.629 0.00 0.00 +0.066 C ATOM 28 N LIG 1 -8.640 3.103 2.982 0.00 0.00 -0.196 NA ENDBRANCH 19 27 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 0.788 2.382 -2.584 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.099 3.233 -1.775 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.670 3.153 -3.276 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.111 1.923 -3.495 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 4.915 -0.319 -1.330 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 9.109 -1.537 0.980 0.00 0.00 +0.009 C ATOM 35 C LIG 1 7.841 -0.687 1.029 0.00 0.00 +0.000 C ATOM 36 C LIG 1 6.912 -1.001 -0.153 0.00 0.00 +0.088 C ATOM 37 N LIG 1 5.621 -0.304 -0.043 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 5.719 1.036 0.555 0.00 0.00 +0.085 C ATOM 39 C LIG 1 7.099 1.672 0.417 0.00 0.00 +0.016 C ATOM 40 C LIG 1 8.187 0.810 1.058 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 7