GD7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C6 | sing | 1.53Å | 1.55Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C2 | C6 | sing | 1.53Å | 1.55Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C2 | H23 | sing | 1.09Å | 1.10Å | |
C3 | C6 | sing | 1.53Å | 1.54Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C3 | H33 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.57Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C4 | H43 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.57Å | |
C5 | OH | sing | 1.43Å | 1.45Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C7 | P1 | sing | 1.82Å | 1.79Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C7 | H73 | sing | 1.09Å | 1.10Å | |
OH | P1 | sing | 1.61Å | 1.65Å | |
P1 | O11 | doub | 1.48Å | 1.50Å | |
P1 | HP1 | sing | 1.42Å | 1.42Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C1 | H11 | 109.5° | 109.5° |
C6 | C1 | H12 | 109.5° | 109.4° |
C6 | C1 | H13 | 109.5° | 109.5° |
C1 | C6 | C2 | 109.8° | 109.5° |
C1 | C6 | C3 | 108.9° | 109.5° |
C1 | C6 | C5 | 110.9° | 109.4° |
H11 | C1 | H12 | 109.5° | 109.5° |
H11 | C1 | H13 | 109.5° | 109.5° |
H12 | C1 | H13 | 109.4° | 109.5° |
C6 | C2 | H21 | 109.4° | 109.5° |
C6 | C2 | H22 | 109.5° | 109.5° |
C6 | C2 | H23 | 109.5° | 109.5° |
C2 | C6 | C3 | 108.8° | 109.5° |
C2 | C6 | C5 | 109.8° | 109.5° |
H21 | C2 | H22 | 109.5° | 109.5° |
H21 | C2 | H23 | 109.4° | 109.4° |
H22 | C2 | H23 | 109.5° | 109.5° |
C6 | C3 | H31 | 109.5° | 109.5° |
C6 | C3 | H32 | 109.5° | 109.4° |
C6 | C3 | H33 | 109.5° | 109.5° |
C3 | C6 | C5 | 108.6° | 109.4° |
H31 | C3 | H32 | 109.5° | 109.4° |
H31 | C3 | H33 | 109.5° | 109.5° |
H32 | C3 | H33 | 109.4° | 109.5° |
C5 | C4 | H41 | 109.4° | 109.4° |
C5 | C4 | H42 | 109.5° | 109.5° |
C5 | C4 | H43 | 109.5° | 109.5° |
C4 | C5 | C6 | 110.4° | 109.4° |
C4 | C5 | OH | 108.5° | 109.5° |
C4 | C5 | H5 | 109.5° | 109.5° |
H41 | C4 | H42 | 109.5° | 109.5° |
H41 | C4 | H43 | 109.5° | 109.5° |
H42 | C4 | H43 | 109.5° | 109.5° |
C6 | C5 | OH | 109.4° | 109.5° |
C6 | C5 | H5 | 108.6° | 109.4° |
OH | C5 | H5 | 110.5° | 109.5° |
C5 | OH | P1 | 112.0° | 106.8° |
P1 | C7 | H71 | 109.5° | 109.5° |
P1 | C7 | H72 | 109.4° | 109.5° |
P1 | C7 | H73 | 109.5° | 109.4° |
C7 | P1 | OH | 108.7° | 109.5° |
C7 | P1 | O11 | 104.4° | 109.4° |
C7 | P1 | HP1 | 113.5° | 109.4° |
H71 | C7 | H72 | 109.5° | 109.5° |
H71 | C7 | H73 | 109.5° | 109.4° |
H72 | C7 | H73 | 109.5° | 109.4° |
OH | P1 | O11 | 110.3° | 109.5° |
OH | P1 | HP1 | 107.9° | 109.5° |
O11 | P1 | HP1 | 112.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C1 | H11 | H12 | 120.0° | 119.9° |
C6 | C1 | H11 | H13 | 120.0° | 120.1° |
C6 | C1 | H12 | H13 | 120.0° | 120.0° |
C1 | C6 | C2 | C3 | 119.1° | 120.1° |
C1 | C6 | C2 | C5 | 122.2° | 120.0° |
C1 | C6 | C2 | H21 | 163.1° | 180.0° |
C1 | C6 | C2 | H22 | 76.8° | 60.1° |
C1 | C6 | C2 | H23 | 43.2° | 60.0° |
C1 | C6 | C3 | C5 | 120.9° | 119.9° |
C1 | C6 | C3 | H31 | 47.2° | 59.9° |
C1 | C6 | C3 | H32 | 72.8° | 60.0° |
C1 | C6 | C3 | H33 | 167.2° | 180.0° |
C1 | C6 | C5 | C4 | 60.7° | 60.0° |
C1 | C6 | C5 | OH | 58.6° | 60.0° |
C1 | C6 | C5 | H5 | 179.3° | 180.0° |
H11 | C1 | H12 | H13 | 120.0° | 120.0° |
H11 | C1 | C6 | C2 | 13.4° | 59.9° |
H11 | C1 | C6 | C3 | 105.7° | 180.0° |
H11 | C1 | C6 | C5 | 134.9° | 60.1° |
H12 | C1 | C6 | C2 | 106.7° | 60.0° |
H12 | C1 | C6 | C3 | 134.3° | 60.1° |
H12 | C1 | C6 | C5 | 14.8° | 180.0° |
H13 | C1 | C6 | C2 | 133.3° | 180.0° |
H13 | C1 | C6 | C3 | 14.3° | 59.9° |
H13 | C1 | C6 | C5 | 105.1° | 60.0° |
C6 | C2 | H21 | H22 | 120.0° | 120.0° |
C6 | C2 | H21 | H23 | 120.0° | 120.0° |
C6 | C2 | H22 | H23 | 120.1° | 120.1° |
C2 | C6 | C3 | C5 | 119.4° | 120.0° |
C2 | C6 | C3 | H31 | 72.5° | 180.0° |
C2 | C6 | C3 | H32 | 167.5° | 60.1° |
C2 | C6 | C3 | H33 | 47.6° | 60.0° |
C2 | C6 | C5 | C4 | 60.9° | 60.0° |
C2 | C6 | C5 | OH | 179.8° | 180.0° |
C2 | C6 | C5 | H5 | 59.2° | 60.0° |
H21 | C2 | H22 | H23 | 120.0° | 119.9° |
H21 | C2 | C6 | C3 | 44.0° | 60.0° |
H21 | C2 | C6 | C5 | 74.7° | 60.0° |
H22 | C2 | C6 | C3 | 164.1° | 60.0° |
H22 | C2 | C6 | C5 | 45.4° | 180.0° |
H23 | C2 | C6 | C3 | 75.9° | 180.0° |
H23 | C2 | C6 | C5 | 165.4° | 60.0° |
C6 | C3 | H31 | H32 | 120.0° | 120.0° |
C6 | C3 | H31 | H33 | 120.0° | 120.0° |
C6 | C3 | H32 | H33 | 120.0° | 120.0° |
C3 | C6 | C5 | C4 | 179.7° | 180.0° |
C3 | C6 | C5 | OH | 61.0° | 60.0° |
C3 | C6 | C5 | H5 | 59.7° | 60.0° |
H31 | C3 | H32 | H33 | 120.0° | 120.0° |
H31 | C3 | C6 | C5 | 168.1° | 60.0° |
H32 | C3 | C6 | C5 | 48.1° | 179.9° |
H33 | C3 | C6 | C5 | 71.9° | 60.0° |
C5 | C4 | H41 | H42 | 120.0° | 120.0° |
C5 | C4 | H41 | H43 | 120.0° | 120.0° |
C5 | C4 | H42 | H43 | 120.0° | 120.0° |
C4 | C5 | C6 | OH | 119.3° | 120.0° |
C4 | C5 | C6 | H5 | 120.0° | 120.0° |
C4 | C5 | OH | H5 | 120.1° | 120.1° |
C4 | C5 | OH | P1 | 63.0° | 120.0° |
H41 | C4 | H42 | H43 | 120.0° | 120.0° |
H41 | C4 | C5 | C6 | 48.1° | 180.0° |
H41 | C4 | C5 | OH | 168.0° | 60.1° |
H41 | C4 | C5 | H5 | 71.3° | 60.0° |
H42 | C4 | C5 | C6 | 168.1° | 60.0° |
H42 | C4 | C5 | OH | 72.0° | 180.0° |
H42 | C4 | C5 | H5 | 48.7° | 59.9° |
H43 | C4 | C5 | C6 | 71.9° | 60.1° |
H43 | C4 | C5 | OH | 48.0° | 59.9° |
H43 | C4 | C5 | H5 | 168.7° | NaN° |
C6 | C5 | OH | H5 | 119.5° | 120.0° |
C6 | C5 | OH | P1 | 176.5° | 120.0° |
C5 | OH | P1 | C7 | 68.6° | 180.0° |
C5 | OH | P1 | O11 | 177.4° | 60.0° |
C5 | OH | P1 | HP1 | 54.8° | 60.0° |
H5 | C5 | OH | P1 | 57.0° | 0.0° |
P1 | C7 | H71 | H72 | 120.0° | 120.1° |
P1 | C7 | H71 | H73 | 120.0° | 119.9° |
P1 | C7 | H72 | H73 | 120.0° | 120.0° |
C7 | P1 | OH | O11 | 114.0° | 120.0° |
C7 | P1 | OH | HP1 | 123.4° | 120.0° |
C7 | P1 | O11 | HP1 | 123.2° | 119.9° |
H71 | C7 | H72 | H73 | 120.0° | 120.0° |
H71 | C7 | P1 | OH | 16.3° | 59.9° |
H71 | C7 | P1 | O11 | 101.5° | 180.0° |
H71 | C7 | P1 | HP1 | 136.3° | 60.0° |
H72 | C7 | P1 | OH | 136.3° | 180.0° |
H72 | C7 | P1 | O11 | 18.5° | 59.9° |
H72 | C7 | P1 | HP1 | 103.7° | 60.1° |
H73 | C7 | P1 | OH | 103.7° | 60.0° |
H73 | C7 | P1 | O11 | 138.5° | 60.0° |
H73 | C7 | P1 | HP1 | 16.4° | 180.0° |
OH | P1 | O11 | HP1 | 120.2° | 120.0° |