REMARK Name = REMARK 3 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C_1 and C_2 REMARK 2 A between atoms: C_2 and C_11 REMARK 3 A between atoms: C_6 and C_10 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNL 1 1.072 -0.034 0.065 0.00 0.00 +0.000 C ATOM 2 C UNL 1 2.605 0.066 0.105 0.00 0.00 +0.000 C ATOM 3 C UNL 1 3.091 1.238 1.006 0.00 0.00 +0.000 C ATOM 4 C UNL 1 2.618 0.999 2.453 0.00 0.00 +0.000 C ATOM 5 C UNL 1 3.062 -0.398 2.901 0.00 0.00 +0.000 C ATOM 6 C UNL 1 3.919 -1.050 1.798 0.00 0.00 +0.000 C ATOM 7 O UNL 1 3.107 -1.189 0.613 0.00 0.00 +0.000 OA ATOM 8 C UNL 1 5.123 -0.150 1.460 0.00 0.00 +0.000 C ATOM 9 C UNL 1 4.631 1.242 1.053 0.00 0.00 +0.000 C ATOM 10 C UNL 1 4.378 -2.443 2.217 0.00 0.00 +0.000 C ATOM 11 C UNL 1 3.100 0.208 -1.344 0.00 0.00 +0.000 C ENDROOT TORSDOF 0