REMARK Name = BDB003223 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.289 -0.342 -0.764 0.00 0.00 +0.093 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.633 1.118 -0.786 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.479 2.032 0.385 0.00 0.00 +0.276 A ATOM 4 O LIG 1 -0.104 1.663 1.486 0.00 0.00 -0.266 OA ATOM 5 N LIG 1 -0.882 3.297 -0.045 0.00 0.00 -0.219 N ATOM 6 N LIG 1 -1.237 3.230 -1.395 0.00 0.00 -0.294 N ATOM 7 H LIG 1 -2.174 3.588 -1.584 0.00 0.00 +0.187 HD ATOM 8 C LIG 1 -1.105 1.901 -1.775 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -1.489 1.504 -3.163 0.00 0.00 +0.065 C BRANCH 5 10 ATOM 10 C LIG 1 -0.904 4.525 0.650 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -0.613 4.593 2.019 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -0.648 5.813 2.703 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -0.972 6.986 2.028 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -1.257 6.941 0.668 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -1.223 5.721 -0.015 0.00 0.00 +0.028 A ENDBRANCH 5 10 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 1.145 -0.582 -0.388 0.00 0.00 +0.051 A ATOM 17 C LIG 1 2.192 -0.547 -1.456 0.00 0.00 +0.276 A ATOM 18 O LIG 1 1.941 -0.299 -2.624 0.00 0.00 -0.266 OA ATOM 19 N LIG 1 3.399 -0.871 -0.840 0.00 0.00 -0.219 N ATOM 20 N LIG 1 3.174 -1.067 0.526 0.00 0.00 -0.294 N ATOM 21 H LIG 1 3.524 -1.961 0.872 0.00 0.00 +0.187 HD ATOM 22 C LIG 1 1.805 -0.937 0.731 0.00 0.00 +0.039 A ATOM 23 C LIG 1 1.264 -1.190 2.100 0.00 0.00 +0.065 C BRANCH 19 24 ATOM 24 C LIG 1 4.702 -0.939 -1.378 0.00 0.00 +0.067 A ATOM 25 C LIG 1 4.928 -0.808 -2.754 0.00 0.00 +0.028 A ATOM 26 C LIG 1 6.221 -0.886 -3.282 0.00 0.00 +0.002 A ATOM 27 C LIG 1 7.310 -1.094 -2.441 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.107 -1.219 -1.070 0.00 0.00 +0.002 A ATOM 29 C LIG 1 5.813 -1.141 -0.543 0.00 0.00 +0.028 A ENDBRANCH 19 24 ENDBRANCH 1 16 BRANCH 1 34 ATOM 30 C LIG 1 -2.148 -3.560 0.178 0.00 0.00 +0.165 A ATOM 31 C LIG 1 -3.080 -3.090 1.115 0.00 0.00 +0.204 A ATOM 32 C LIG 1 -3.108 -1.740 1.495 0.00 0.00 +0.165 A ATOM 33 C LIG 1 -2.229 -0.841 0.881 0.00 0.00 +0.054 A ATOM 34 C LIG 1 -1.293 -1.275 -0.072 0.00 0.00 -0.028 A ATOM 35 C LIG 1 -1.268 -2.647 -0.410 0.00 0.00 +0.054 A BRANCH 30 37 ATOM 36 C LIG 1 -1.166 -5.430 -0.933 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -2.188 -4.901 -0.100 0.00 0.00 -0.491 OA ENDBRANCH 30 37 BRANCH 31 38 ATOM 38 O LIG 1 -3.922 -3.985 1.738 0.00 0.00 -0.488 OA ATOM 39 C LIG 1 -5.145 -4.081 1.010 0.00 0.00 +0.277 C ENDBRANCH 31 38 BRANCH 32 40 ATOM 40 O LIG 1 -4.038 -1.384 2.438 0.00 0.00 -0.491 OA ATOM 41 C LIG 1 -3.774 -0.192 3.170 0.00 0.00 +0.277 C ENDBRANCH 32 40 ENDBRANCH 1 34 TORSDOF 8