REMARK Name = BDB016768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.603 1.782 0.194 0.00 0.00 +0.093 A ATOM 2 C LIG 1 -1.571 1.176 1.055 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -2.736 1.904 0.849 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -3.939 1.640 1.516 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -3.990 0.564 2.421 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -2.817 -0.177 2.637 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -2.413 2.840 -0.093 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -3.021 3.544 -0.494 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.616 0.104 1.967 0.00 0.00 +0.012 A ATOM 10 N LIG 1 -1.145 2.778 -0.523 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.269 0.245 3.160 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -6.527 -0.203 2.444 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -6.681 -0.388 0.960 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -7.971 0.036 0.608 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -8.454 0.003 -0.682 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -7.601 -0.486 -1.676 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -6.304 -0.929 -1.358 0.00 0.00 +0.120 A ATOM 18 N LIG 1 -8.650 0.464 1.751 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -9.599 0.801 1.779 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -5.848 -0.883 -0.032 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -7.867 0.340 2.885 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -8.176 0.613 4.033 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -5.762 -1.183 3.285 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 -5.392 -1.429 -2.248 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -5.776 -1.470 -3.616 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 27 ATOM 26 C LIG 1 1.590 0.914 0.965 0.00 0.00 +0.010 C ATOM 27 C LIG 1 0.774 1.420 0.025 0.00 0.00 +0.031 C BRANCH 26 31 ATOM 28 C LIG 1 5.720 -0.104 0.375 0.00 0.00 -0.033 A ATOM 29 C LIG 1 4.881 -0.904 1.162 0.00 0.00 +0.005 A ATOM 30 C LIG 1 3.536 -0.563 1.338 0.00 0.00 +0.008 A ATOM 31 C LIG 1 3.002 0.579 0.730 0.00 0.00 -0.025 A ATOM 32 C LIG 1 3.846 1.392 -0.035 0.00 0.00 +0.008 A ATOM 33 C LIG 1 5.190 1.053 -0.211 0.00 0.00 +0.005 A BRANCH 28 34 ATOM 34 C LIG 1 7.185 -0.458 0.204 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 7.634 -0.448 -1.206 0.00 0.00 -0.299 NA BRANCH 35 37 ATOM 36 C LIG 1 7.093 -1.407 -3.443 0.00 0.00 +0.020 C ATOM 37 C LIG 1 7.068 -1.604 -1.930 0.00 0.00 +0.081 C ENDBRANCH 35 37 BRANCH 35 38 ATOM 38 C LIG 1 9.106 -0.445 -1.283 0.00 0.00 +0.081 C ATOM 39 C LIG 1 9.705 0.917 -0.945 0.00 0.00 +0.020 C ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 28 34 ENDBRANCH 26 31 ENDBRANCH 1 27 TORSDOF 8