REMARK Name = BDB000093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 2.417 0.334 -0.540 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 1.233 0.245 -0.263 0.00 0.00 +0.220 C ATOM 3 N LIG 1 0.434 1.275 0.107 0.00 0.00 -0.256 N ATOM 4 H LIG 1 0.758 2.226 0.187 0.00 0.00 +0.157 HD ATOM 5 C LIG 1 -0.843 0.900 0.359 0.00 0.00 +0.220 C ATOM 6 O LIG 1 -1.742 1.646 0.707 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 -0.970 -0.578 0.142 0.00 0.00 +0.105 C ATOM 8 C LIG 1 0.426 -1.018 -0.276 0.00 0.00 +0.105 C ENDROOT TORSDOF 0