REMARK Name = BDB010691 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.693 0.254 -0.102 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.644 0.205 -0.461 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -1.225 -0.822 0.261 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.207 -1.241 1.106 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.320 -2.227 2.010 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.533 -2.789 1.986 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.576 -2.467 1.201 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -2.467 -1.460 0.313 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.944 -0.548 0.904 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.260 -0.892 -2.186 0.00 0.00 +0.029 C ATOM 11 C LIG 1 2.165 0.633 -2.030 0.00 0.00 +0.090 C ATOM 12 N LIG 1 1.597 1.072 -0.709 0.00 0.00 -0.295 N ATOM 13 C LIG 1 2.600 1.664 0.214 0.00 0.00 +0.127 C ATOM 14 C LIG 1 3.962 0.957 0.130 0.00 0.00 +0.127 C ATOM 15 N LIG 1 4.533 0.987 -1.223 0.00 0.00 -0.298 N ATOM 16 C LIG 1 5.834 0.683 -1.594 0.00 0.00 +0.221 C ATOM 17 O LIG 1 6.140 0.706 -2.793 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 3.557 1.270 -2.290 0.00 0.00 +0.130 C BRANCH 16 19 ATOM 19 C LIG 1 6.937 0.374 -0.542 0.00 0.00 +0.039 C ATOM 20 C LIG 1 8.184 -0.145 -1.306 0.00 0.00 +0.020 C ATOM 21 C LIG 1 7.363 1.660 0.182 0.00 0.00 +0.020 C ATOM 22 C LIG 1 6.543 -0.727 0.451 0.00 0.00 +0.020 C ENDBRANCH 16 19 ENDBRANCH 1 12 BRANCH 6 23 ATOM 23 C LIG 1 -1.736 -3.894 2.949 0.00 0.00 +0.220 A ATOM 24 N LIG 1 -0.718 -4.266 3.743 0.00 0.00 -0.269 N ATOM 25 H LIG 1 0.209 -3.874 3.767 0.00 0.00 +0.174 HD ATOM 26 C LIG 1 -1.166 -5.270 4.507 0.00 0.00 +0.440 A ATOM 27 O LIG 1 -0.524 -5.868 5.355 0.00 0.00 -0.221 OA ATOM 28 O LIG 1 -2.476 -5.515 4.177 0.00 0.00 -0.295 OA ATOM 29 N LIG 1 -2.814 -4.582 3.143 0.00 0.00 -0.051 NA ENDBRANCH 6 23 BRANCH 8 30 ATOM 30 N LIG 1 -3.539 -1.129 -0.495 0.00 0.00 -0.324 N ATOM 31 H LIG 1 -3.572 -0.149 -0.731 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.880 -1.698 -0.302 0.00 0.00 +0.072 C ATOM 33 C LIG 1 -5.483 -1.276 1.038 0.00 0.00 +0.028 C BRANCH 32 34 ATOM 34 C LIG 1 -4.949 -3.222 -0.492 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -4.448 -3.780 -1.854 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -5.905 -3.750 -2.348 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -6.343 -3.799 -0.873 0.00 0.00 +0.005 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 8 30 BRANCH 2 38 ATOM 38 C LIG 1 -1.286 1.050 -1.449 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -1.859 2.405 -0.962 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -0.779 3.460 -0.641 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -0.570 3.652 0.858 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.855 4.109 1.571 0.00 0.00 -0.014 C ATOM 43 C LIG 1 -1.894 5.629 1.737 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -3.128 3.620 0.860 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -2.899 2.280 0.167 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 2 38 TORSDOF 8