REMARK Name = BDB007201 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.240 2.169 -0.136 0.00 0.00 +0.163 A ATOM 2 C LIG 1 4.526 2.365 -1.493 0.00 0.00 +0.162 A ATOM 3 C LIG 1 3.783 1.655 -2.443 0.00 0.00 +0.053 A ATOM 4 C LIG 1 2.723 0.819 -2.053 0.00 0.00 -0.030 A ATOM 5 C LIG 1 1.936 0.035 -3.052 0.00 0.00 +0.132 C ATOM 6 C LIG 1 0.473 -0.155 -2.679 0.00 0.00 +0.225 C ATOM 7 N LIG 1 0.163 -0.339 -1.317 0.00 0.00 -0.260 N ATOM 8 C LIG 1 1.243 -0.226 -0.298 0.00 0.00 +0.142 C ATOM 9 O LIG 1 -0.336 -0.173 -3.612 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 2.392 0.683 -0.709 0.00 0.00 -0.015 A ATOM 11 C LIG 1 3.148 1.381 0.243 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 1.743 -1.586 0.204 0.00 0.00 -0.022 A ATOM 13 C LIG 1 2.150 -1.724 1.545 0.00 0.00 +0.007 A ATOM 14 C LIG 1 2.632 -2.942 2.032 0.00 0.00 +0.020 A ATOM 15 C LIG 1 2.710 -4.042 1.184 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 3.302 -5.543 1.781 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 2.309 -3.933 -0.145 0.00 0.00 +0.020 A ATOM 18 C LIG 1 1.832 -2.712 -0.633 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 -1.173 -0.726 -0.866 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -2.204 -1.069 -1.752 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -3.490 -1.436 -1.312 0.00 0.00 +0.025 A ATOM 22 C LIG 1 -3.804 -1.497 0.045 0.00 0.00 +0.036 A ATOM 23 C LIG 1 -2.792 -1.162 0.944 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -1.507 -0.798 0.500 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 -5.126 -1.817 0.489 0.00 0.00 -0.271 N ATOM 26 C LIG 1 -5.425 -2.458 1.695 0.00 0.00 +0.217 C ATOM 27 O LIG 1 -6.526 -2.368 2.247 0.00 0.00 -0.276 OA ATOM 28 C LIG 1 -4.382 -3.374 2.296 0.00 0.00 +0.109 C BRANCH 25 29 ATOM 29 C LIG 1 -6.260 -1.258 -0.269 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -6.360 0.271 -0.181 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -7.510 0.832 -1.023 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -7.830 2.196 -0.409 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -7.116 2.238 0.942 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -6.684 0.802 1.214 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 35 ATOM 35 O LIG 1 5.504 3.272 -1.798 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 5.720 3.581 -3.169 0.00 0.00 +0.277 C ENDBRANCH 2 35 BRANCH 1 37 ATOM 37 O LIG 1 4.904 2.812 0.876 0.00 0.00 -0.485 OA BRANCH 37 38 ATOM 38 C LIG 1 6.174 2.261 1.289 0.00 0.00 +0.170 C ATOM 39 C LIG 1 7.327 2.729 0.399 0.00 0.00 +0.052 C BRANCH 38 41 ATOM 40 C LIG 1 5.475 0.304 2.784 0.00 0.00 +0.007 C ATOM 41 C LIG 1 6.222 0.732 1.521 0.00 0.00 +0.041 C ENDBRANCH 38 41 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 9