REMARK Name = BDB060393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.819 2.248 0.062 0.00 0.00 -0.274 OA ATOM 2 C LIG 1 -0.353 1.119 0.029 0.00 0.00 +0.238 C ATOM 3 N LIG 1 0.971 0.812 -0.013 0.00 0.00 -0.239 N ATOM 4 H LIG 1 1.719 1.483 -0.023 0.00 0.00 +0.159 HD ATOM 5 C LIG 1 1.152 -0.529 -0.042 0.00 0.00 +0.306 C ATOM 6 O LIG 1 2.220 -1.113 -0.082 0.00 0.00 -0.252 OA ATOM 7 N LIG 1 -0.081 -1.135 -0.017 0.00 0.00 -0.290 N ATOM 8 H LIG 1 -0.174 -2.143 -0.032 0.00 0.00 +0.151 HD ATOM 9 C LIG 1 -1.151 -0.176 0.029 0.00 0.00 +0.202 C ENDROOT TORSDOF 0