REMARK Name = BDB063539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 2.290 -0.283 0.050 0.00 0.00 -0.276 OA ATOM 2 C LIG 1 1.103 -0.136 -0.100 0.00 0.00 +0.215 C ATOM 3 N LIG 1 0.135 -1.040 -0.422 0.00 0.00 -0.315 N ATOM 4 H LIG 1 0.325 -2.000 -0.164 0.00 0.00 +0.149 HD ATOM 5 C LIG 1 -0.954 -0.172 0.043 0.00 0.00 +0.113 C ATOM 6 C LIG 1 0.062 0.982 0.057 0.00 0.00 +0.114 C ENDROOT TORSDOF 0