REMARK Name = BDB026399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.031 1.971 0.764 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -4.184 2.987 1.674 0.00 0.00 -0.130 NA ATOM 3 N LIG 1 -3.072 3.710 1.685 0.00 0.00 -0.065 NA ATOM 4 N LIG 1 -2.230 3.162 0.797 0.00 0.00 -0.249 N ATOM 5 C LIG 1 -2.780 2.069 0.194 0.00 0.00 +0.138 A ENDROOT BRANCH 1 12 ATOM 6 C LIG 1 -4.729 -2.798 -1.946 0.00 0.00 +0.154 C ATOM 7 N LIG 1 -5.845 -2.241 -1.238 0.00 0.00 -0.295 N ATOM 8 C LIG 1 -5.830 -1.044 -0.511 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -7.111 -0.839 0.007 0.00 0.00 +0.071 A ATOM 10 C LIG 1 -7.404 0.274 0.763 0.00 0.00 +0.029 A ATOM 11 C LIG 1 -6.365 1.185 0.999 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -5.060 0.985 0.480 0.00 0.00 +0.006 A ATOM 13 N LIG 1 -7.916 -1.918 -0.398 0.00 0.00 -0.280 N ATOM 14 C LIG 1 -4.793 -0.157 -0.293 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -7.138 -2.793 -1.188 0.00 0.00 +0.331 A ATOM 16 O LIG 1 -7.516 -3.831 -1.709 0.00 0.00 -0.246 OA BRANCH 13 17 ATOM 17 C LIG 1 -9.320 -2.126 -0.126 0.00 0.00 +0.179 C ATOM 18 C LIG 1 -10.213 -0.981 -0.623 0.00 0.00 +0.242 C ATOM 19 O LIG 1 -9.908 -0.201 -1.522 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 -11.454 -0.894 -0.032 0.00 0.00 -0.255 N ATOM 21 H LIG 1 -12.047 -0.145 -0.364 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 -11.935 -1.608 1.038 0.00 0.00 +0.219 C ATOM 23 O LIG 1 -13.036 -1.362 1.519 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -11.065 -2.733 1.545 0.00 0.00 +0.099 C ATOM 25 C LIG 1 -9.589 -2.424 1.348 0.00 0.00 +0.044 C ENDBRANCH 13 17 ENDBRANCH 1 12 BRANCH 4 26 ATOM 26 C LIG 1 -0.927 3.741 0.571 0.00 0.00 +0.173 C BRANCH 26 27 ATOM 27 C LIG 1 0.029 3.476 1.726 0.00 0.00 +0.183 C BRANCH 27 28 ATOM 28 O LIG 1 1.327 4.008 1.455 0.00 0.00 -0.376 OA BRANCH 28 29 ATOM 29 C LIG 1 2.165 3.114 0.711 0.00 0.00 +0.188 C BRANCH 29 30 ATOM 30 C LIG 1 3.559 3.726 0.560 0.00 0.00 +0.188 C BRANCH 30 31 ATOM 31 O LIG 1 4.279 3.658 1.796 0.00 0.00 -0.375 OA BRANCH 31 32 ATOM 32 C LIG 1 5.384 2.748 1.787 0.00 0.00 +0.188 C BRANCH 32 33 ATOM 33 C LIG 1 4.946 1.279 1.857 0.00 0.00 +0.188 C BRANCH 33 34 ATOM 34 O LIG 1 4.439 0.797 0.603 0.00 0.00 -0.376 OA BRANCH 34 35 ATOM 35 C LIG 1 5.461 0.361 -0.297 0.00 0.00 +0.178 C BRANCH 35 36 ATOM 36 C LIG 1 5.851 -1.097 -0.030 0.00 0.00 +0.135 C BRANCH 36 37 ATOM 37 N LIG 1 6.827 -1.601 -0.968 0.00 0.00 -0.279 N ATOM 38 H LIG 1 6.579 -2.304 -1.650 0.00 0.00 +0.152 HD ATOM 39 C LIG 1 8.133 -1.219 -0.938 0.00 0.00 +0.401 C ATOM 40 O LIG 1 8.597 -0.399 -0.162 0.00 0.00 -0.226 OA BRANCH 39 41 ATOM 41 O LIG 1 8.804 -1.887 -1.902 0.00 0.00 -0.445 OA BRANCH 41 42 ATOM 42 C LIG 1 10.224 -1.665 -2.105 0.00 0.00 +0.107 C ATOM 43 C LIG 1 11.035 -2.068 -0.868 0.00 0.00 +0.055 C ATOM 44 C LIG 1 10.505 -0.219 -2.529 0.00 0.00 +0.055 C ATOM 45 C LIG 1 10.602 -2.598 -3.266 0.00 0.00 +0.055 C ENDBRANCH 41 42 ENDBRANCH 39 41 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 16