REMARK Name = BDB063538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.109 2.445 -1.034 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 0.001 1.306 -0.587 0.00 0.00 +0.222 C ATOM 3 N LIG 1 1.195 0.845 -0.096 0.00 0.00 -0.240 N ATOM 4 H LIG 1 1.987 1.466 -0.169 0.00 0.00 +0.159 HD ATOM 5 C LIG 1 1.457 -0.425 0.328 0.00 0.00 +0.306 C ATOM 6 O LIG 1 2.591 -0.819 0.568 0.00 0.00 -0.252 OA ATOM 7 N LIG 1 0.372 -1.240 0.462 0.00 0.00 -0.299 N ATOM 8 H LIG 1 0.571 -2.131 0.902 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 -0.959 -0.692 0.492 0.00 0.00 +0.115 C ATOM 10 C LIG 1 -1.133 0.315 -0.623 0.00 0.00 +0.115 C ENDROOT TORSDOF 0