REMARK Name = BDB044188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.416 -0.310 0.010 0.00 0.00 -0.302 N ATOM 2 H LIG 1 -0.244 -0.421 1.009 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 -1.695 -0.200 -0.468 0.00 0.00 +0.234 C ATOM 4 O LIG 1 -1.966 -0.258 -1.668 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 CA LIG 1 -2.776 -0.023 0.614 0.00 0.00 +0.166 C BRANCH 5 6 ATOM 6 N LIG 1 -3.814 0.828 0.040 0.00 0.00 -0.269 N ATOM 7 H LIG 1 -4.301 0.486 -0.779 0.00 0.00 +0.153 HD ATOM 8 C LIG 1 -3.675 2.184 0.040 0.00 0.00 +0.401 C ATOM 9 O LIG 1 -2.859 2.807 0.704 0.00 0.00 -0.226 OA BRANCH 8 10 ATOM 10 O LIG 1 -4.557 2.714 -0.838 0.00 0.00 -0.446 OA BRANCH 10 11 ATOM 11 C LIG 1 -4.512 4.138 -0.979 0.00 0.00 +0.269 C BRANCH 11 12 ATOM 12 C LIG 1 -5.565 4.774 -0.109 0.00 0.00 -0.010 A ATOM 13 C LIG 1 -6.894 4.859 -0.546 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -7.870 5.441 0.266 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -7.528 5.934 1.524 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.213 5.840 1.975 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.236 5.259 1.164 0.00 0.00 +0.007 A ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 5 6 BRANCH 5 18 ATOM 18 C LIG 1 -3.360 -1.381 1.031 0.00 0.00 +0.067 C BRANCH 18 19 ATOM 19 C LIG 1 -2.379 -2.245 1.802 0.00 0.00 -0.037 A ATOM 20 C LIG 1 -1.591 -3.265 1.190 0.00 0.00 -0.015 A ATOM 21 C LIG 1 -0.654 -3.967 1.990 0.00 0.00 -0.018 A ATOM 22 C LIG 1 0.157 -4.964 1.420 0.00 0.00 +0.008 A ATOM 23 C LIG 1 0.057 -5.288 0.069 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -0.856 -4.617 -0.731 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -0.526 -3.663 3.353 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -1.305 -2.672 3.942 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -1.667 -3.622 -0.179 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -2.223 -1.967 3.173 0.00 0.00 +0.004 A ENDBRANCH 18 19 ENDBRANCH 5 18 ENDBRANCH 3 5 BRANCH 1 29 ATOM 29 CA LIG 1 0.746 -0.512 -0.855 0.00 0.00 +0.165 C BRANCH 29 32 ATOM 30 N LIG 1 3.073 -1.330 -0.634 0.00 0.00 -0.309 N ATOM 31 H LIG 1 3.220 -0.921 -1.547 0.00 0.00 +0.149 HD ATOM 32 C LIG 1 1.915 -0.988 0.036 0.00 0.00 +0.234 C ATOM 33 O LIG 1 1.799 -1.097 1.259 0.00 0.00 -0.274 OA BRANCH 30 34 ATOM 34 CA LIG 1 4.288 -1.688 0.099 0.00 0.00 +0.099 C BRANCH 34 35 ATOM 35 C LIG 1 4.978 -0.444 0.689 0.00 0.00 +0.178 C BRANCH 35 36 ATOM 36 O LIG 1 5.231 0.546 -0.304 0.00 0.00 -0.393 OA ATOM 37 H LIG 1 4.374 1.009 -0.457 0.00 0.00 +0.209 HD ENDBRANCH 35 36 ENDBRANCH 34 35 BRANCH 34 38 ATOM 38 CB LIG 1 5.194 -2.590 -0.769 0.00 0.00 +0.027 C BRANCH 38 40 ATOM 39 CD1 LIG 1 7.275 -1.509 -1.759 0.00 0.00 +0.007 C ATOM 40 CG LIG 1 5.830 -1.946 -2.022 0.00 0.00 -0.015 C ATOM 41 CD2 LIG 1 5.819 -2.938 -3.191 0.00 0.00 +0.007 C ENDBRANCH 38 40 ENDBRANCH 34 38 ENDBRANCH 30 34 ENDBRANCH 29 32 BRANCH 29 42 ATOM 42 CB LIG 1 1.093 0.738 -1.676 0.00 0.00 +0.088 C BRANCH 42 43 ATOM 43 CG LIG 1 1.565 1.879 -0.841 0.00 0.00 +0.061 A ATOM 44 ND1 LIG 1 2.906 2.044 -0.573 0.00 0.00 -0.241 NA ATOM 45 CE1 LIG 1 2.975 3.118 0.186 0.00 0.00 +0.196 A ATOM 46 NE2 LIG 1 1.740 3.649 0.423 0.00 0.00 -0.351 N ATOM 47 HE2 LIG 1 1.540 4.468 0.981 0.00 0.00 +0.166 HD ATOM 48 CD2 LIG 1 0.829 2.872 -0.232 0.00 0.00 +0.107 A ENDBRANCH 42 43 ENDBRANCH 29 42 ENDBRANCH 1 29 TORSDOF 16