REMARK Name = BDB030775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.655 2.211 3.848 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -1.618 1.766 2.855 0.00 0.00 -0.293 N ATOM 3 C LIG 1 -1.143 1.511 1.552 0.00 0.00 +0.145 A ATOM 4 C LIG 1 -2.025 1.048 0.572 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -1.461 0.699 -0.672 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.091 0.837 -0.931 0.00 0.00 +0.052 A ATOM 7 C LIG 1 0.663 1.380 0.098 0.00 0.00 +0.136 A ATOM 8 C LIG 1 -3.475 0.910 0.871 0.00 0.00 +0.086 A ATOM 9 N LIG 1 -4.343 0.645 -0.192 0.00 0.00 -0.337 N ATOM 10 H LIG 1 -3.952 0.820 -1.110 0.00 0.00 +0.146 HD ATOM 11 C LIG 1 -5.356 -0.401 -0.222 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -6.404 -0.260 0.879 0.00 0.00 +0.063 C ATOM 13 C LIG 1 -5.825 -0.203 2.283 0.00 0.00 +0.231 C ATOM 14 O LIG 1 -5.215 1.059 2.531 0.00 0.00 -0.485 OA ATOM 15 C LIG 1 -3.883 1.109 2.145 0.00 0.00 +0.207 A ATOM 16 N LIG 1 0.179 1.698 1.322 0.00 0.00 -0.235 NA ATOM 17 C LIG 1 -2.923 1.524 3.223 0.00 0.00 +0.296 A ATOM 18 O LIG 1 -3.326 1.638 4.383 0.00 0.00 -0.264 OA ENDROOT BRANCH 11 19 ATOM 19 C LIG 1 -4.682 -1.751 -0.236 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -5.340 -2.935 -0.900 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -4.122 -2.310 -1.522 0.00 0.00 +0.005 C ENDBRANCH 11 19 BRANCH 6 22 ATOM 22 N LIG 1 0.407 0.523 -2.209 0.00 0.00 -0.297 N ATOM 23 H LIG 1 -0.250 0.001 -2.782 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 1.738 0.235 -2.609 0.00 0.00 +0.147 A ATOM 25 C LIG 1 2.018 0.069 -3.958 0.00 0.00 +0.099 A ATOM 26 CL LIG 1 0.817 0.134 -5.186 0.00 0.00 -0.078 Cl ATOM 27 C LIG 1 3.331 -0.174 -4.274 0.00 0.00 +0.137 A ATOM 28 N LIG 1 4.315 -0.254 -3.357 0.00 0.00 -0.221 NA ATOM 29 C LIG 1 3.981 -0.080 -2.071 0.00 0.00 +0.220 A ATOM 30 N LIG 1 2.717 0.165 -1.684 0.00 0.00 -0.198 NA BRANCH 29 31 ATOM 31 N LIG 1 4.963 -0.155 -1.111 0.00 0.00 -0.299 N ATOM 32 C LIG 1 4.605 -0.097 0.300 0.00 0.00 +0.114 C ATOM 33 C LIG 1 5.632 -0.866 1.115 0.00 0.00 +0.094 C ATOM 34 C LIG 1 7.018 -0.297 0.891 0.00 0.00 +0.252 C ATOM 35 F LIG 1 7.925 -1.300 1.054 0.00 0.00 -0.206 F ATOM 36 F LIG 1 7.295 0.610 1.867 0.00 0.00 -0.206 F ATOM 37 C LIG 1 7.244 0.364 -0.454 0.00 0.00 +0.094 C ATOM 38 C LIG 1 6.359 -0.273 -1.511 0.00 0.00 +0.114 C ENDBRANCH 29 31 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 4