REMARK Name = BDB027217 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.864 1.038 -1.018 0.00 0.00 +0.071 A ATOM 2 N LIG 1 -1.953 1.620 -1.830 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 -0.808 0.938 -2.089 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.475 -0.319 -1.584 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -1.436 -0.918 -0.754 0.00 0.00 -0.003 A ATOM 6 C LIG 1 -2.630 -0.222 -0.473 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.422 3.397 -0.281 0.00 0.00 +0.155 A ATOM 8 C LIG 1 -6.449 2.005 -0.182 0.00 0.00 +0.165 A ATOM 9 F LIG 1 -7.590 1.377 0.145 0.00 0.00 -0.202 F ATOM 10 C LIG 1 -5.313 1.229 -0.418 0.00 0.00 +0.052 A ATOM 11 C LIG 1 -4.090 1.826 -0.762 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -4.077 3.231 -0.867 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -5.221 4.009 -0.629 0.00 0.00 +0.049 A BRANCH 7 15 ATOM 14 C LIG 1 -7.607 5.457 -0.144 0.00 0.00 +0.277 C ATOM 15 O LIG 1 -7.602 4.040 -0.024 0.00 0.00 -0.492 OA ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 0.719 -0.978 -1.873 0.00 0.00 -0.327 N ATOM 17 C LIG 1 1.888 -0.616 -1.042 0.00 0.00 +0.129 C ATOM 18 C LIG 1 2.869 0.406 -1.697 0.00 0.00 +0.056 C ATOM 19 C LIG 1 3.200 -0.072 -3.126 0.00 0.00 +0.027 C ATOM 20 C LIG 1 1.937 -0.304 -3.956 0.00 0.00 +0.021 C ATOM 21 C LIG 1 0.992 -1.294 -3.281 0.00 0.00 +0.105 C BRANCH 18 22 ATOM 22 N LIG 1 2.280 1.764 -1.787 0.00 0.00 -0.322 NA ATOM 23 H LIG 1 2.983 2.437 -2.089 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 1.952 2.065 -0.869 0.00 0.00 +0.119 HD ENDBRANCH 18 22 BRANCH 18 25 ATOM 25 C LIG 1 4.161 0.483 -0.836 0.00 0.00 +0.183 C BRANCH 25 26 ATOM 26 O LIG 1 4.785 -0.796 -0.727 0.00 0.00 -0.375 OA BRANCH 26 27 ATOM 27 C LIG 1 5.841 -0.900 0.249 0.00 0.00 +0.118 C ATOM 28 C LIG 1 5.397 -1.098 1.721 0.00 0.00 +0.032 C ATOM 29 C LIG 1 6.587 -2.063 1.879 0.00 0.00 +0.005 C ATOM 30 C LIG 1 6.509 -2.293 0.358 0.00 0.00 +0.032 C ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 18 25 ENDBRANCH 4 16 BRANCH 5 31 ATOM 31 C LIG 1 -1.254 -2.304 -0.179 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -0.712 -2.283 1.167 0.00 0.00 -0.310 N ATOM 33 C LIG 1 -1.412 -2.078 2.325 0.00 0.00 +0.166 A ATOM 34 C LIG 1 -0.471 -2.208 3.336 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -0.930 -2.025 4.652 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -2.234 -1.726 4.847 0.00 0.00 -0.219 NA ATOM 37 C LIG 1 -3.041 -1.646 3.768 0.00 0.00 +0.225 A ATOM 38 N LIG 1 0.773 -2.506 2.815 0.00 0.00 -0.231 NA ATOM 39 N LIG 1 -2.721 -1.810 2.467 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 0.579 -2.586 1.516 0.00 0.00 +0.202 A BRANCH 35 41 ATOM 41 N LIG 1 -0.105 -2.123 5.765 0.00 0.00 -0.341 N ATOM 42 H LIG 1 0.878 -2.003 5.550 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -0.482 -1.625 6.562 0.00 0.00 +0.144 HD ENDBRANCH 35 41 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 10