REMARK Name = BDB004967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.576 -0.361 0.569 0.00 0.00 +0.035 A ATOM 2 C LIG 1 2.941 -0.047 0.571 0.00 0.00 +0.028 A ATOM 3 C LIG 1 3.746 -0.312 1.692 0.00 0.00 -0.029 A ATOM 4 C LIG 1 3.165 -0.904 2.820 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.801 -1.195 2.834 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.008 -0.915 1.718 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -0.905 -1.552 -0.505 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -0.202 -2.181 -0.144 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -0.405 -0.384 -1.014 0.00 0.00 +0.308 C ATOM 10 N LIG 1 0.848 -0.030 -0.589 0.00 0.00 -0.269 N ATOM 11 H LIG 1 1.259 0.663 -1.201 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -0.945 0.320 -1.866 0.00 0.00 -0.252 OA BRANCH 7 15 ATOM 13 C LIG 1 -4.519 -1.950 -1.386 0.00 0.00 +0.122 A ATOM 14 C LIG 1 -3.264 -1.359 -1.224 0.00 0.00 +0.069 A ATOM 15 C LIG 1 -2.192 -2.093 -0.702 0.00 0.00 +0.038 A ATOM 16 C LIG 1 -2.394 -3.424 -0.321 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -3.643 -4.022 -0.482 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -4.699 -3.285 -1.015 0.00 0.00 +0.046 A BRANCH 13 19 ATOM 19 O LIG 1 -5.645 -1.347 -1.876 0.00 0.00 -0.491 OA BRANCH 19 20 ATOM 20 C LIG 1 -5.569 0.010 -2.313 0.00 0.00 +0.244 C BRANCH 20 21 ATOM 21 C LIG 1 -5.724 1.031 -1.163 0.00 0.00 +0.125 C BRANCH 21 26 ATOM 22 C LIG 1 -9.184 2.215 1.736 0.00 0.00 +0.105 C ATOM 23 N LIG 1 -9.615 1.256 0.717 0.00 0.00 -0.303 NA ATOM 24 C LIG 1 -8.850 -0.001 0.828 0.00 0.00 +0.099 C ATOM 25 C LIG 1 -7.347 0.085 0.436 0.00 0.00 +0.100 C ATOM 26 N LIG 1 -7.032 1.171 -0.506 0.00 0.00 -0.297 NA ATOM 27 C LIG 1 -8.156 1.422 -1.409 0.00 0.00 +0.100 C ATOM 28 C LIG 1 -9.449 1.819 -0.643 0.00 0.00 +0.099 C ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 7 15 ENDBRANCH 1 10 BRANCH 3 29 ATOM 29 C LIG 1 5.221 0.013 1.661 0.00 0.00 +0.138 C BRANCH 29 30 ATOM 30 N LIG 1 5.923 -1.060 0.951 0.00 0.00 -0.324 N ATOM 31 H LIG 1 5.869 -1.887 1.549 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 7.307 -0.797 0.898 0.00 0.00 +0.130 A ATOM 33 C LIG 1 7.869 0.091 -0.036 0.00 0.00 +0.041 A ATOM 34 C LIG 1 9.253 0.315 0.074 0.00 0.00 +0.088 A ATOM 35 C LIG 1 9.837 1.212 -0.844 0.00 0.00 +0.063 A ATOM 36 C LIG 1 9.071 1.839 -1.848 0.00 0.00 +0.015 A ATOM 37 C LIG 1 7.713 1.588 -1.960 0.00 0.00 +0.002 A ATOM 38 N LIG 1 9.973 -0.328 1.025 0.00 0.00 -0.235 NA ATOM 39 C LIG 1 9.334 -1.190 1.827 0.00 0.00 +0.223 A ATOM 40 C LIG 1 7.116 0.718 -1.060 0.00 0.00 +0.013 A ATOM 41 N LIG 1 8.028 -1.455 1.816 0.00 0.00 -0.220 NA BRANCH 35 42 ATOM 42 C LIG 1 11.292 1.558 -0.836 0.00 0.00 +0.244 C ATOM 43 O LIG 1 11.795 2.236 -1.726 0.00 0.00 -0.270 OA ATOM 44 N LIG 1 12.065 1.106 0.193 0.00 0.00 -0.325 N ATOM 45 H LIG 1 11.693 0.434 0.859 0.00 0.00 +0.145 HD ATOM 46 H LIG 1 13.062 1.257 0.146 0.00 0.00 +0.145 HD ENDBRANCH 35 42 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 3 29 TORSDOF 10