REMARK Name = BDB064764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.467 -2.305 0.722 0.00 0.00 -0.285 OA ATOM 2 C LIG 1 -0.409 -1.128 0.368 0.00 0.00 +0.209 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.603 -0.318 0.217 0.00 0.00 +0.087 A ATOM 4 N LIG 1 -2.826 -0.756 0.683 0.00 0.00 -0.358 N ATOM 5 H LIG 1 -2.961 -1.646 1.148 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 -3.794 0.175 0.424 0.00 0.00 +0.083 A ATOM 7 C LIG 1 -3.205 1.221 -0.246 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -1.830 0.908 -0.388 0.00 0.00 +0.031 A ENDBRANCH 2 3 BRANCH 2 9 ATOM 9 C LIG 1 0.933 -0.554 0.090 0.00 0.00 +0.024 A ATOM 10 C LIG 1 1.297 0.718 0.550 0.00 0.00 +0.012 A ATOM 11 C LIG 1 2.574 1.215 0.285 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.493 0.440 -0.424 0.00 0.00 +0.000 A ATOM 13 C LIG 1 3.142 -0.837 -0.863 0.00 0.00 +0.001 A ATOM 14 C LIG 1 1.866 -1.338 -0.601 0.00 0.00 +0.012 A ENDBRANCH 2 9 TORSDOF 2