70G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C14 | C15 | doub | 1.38Å | 1.35Å | Aromatic |
C14 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
C15 | C16 | sing | 1.38Å | 1.44Å | Aromatic |
C05 | C04 | sing | 1.51Å | 1.55Å | |
C05 | C06 | sing | 1.53Å | 1.53Å | |
C04 | C03 | doub | 1.38Å | 1.42Å | Aromatic |
C16 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
C06 | C07 | sing | 1.53Å | 1.58Å | |
C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
C03 | C08 | sing | 1.51Å | 1.53Å | |
C02 | C01 | sing | 1.51Å | 1.57Å | |
C07 | C08 | sing | 1.53Å | 1.48Å | |
C08 | C09 | sing | 1.53Å | 1.49Å | |
C09 | C10 | sing | 1.53Å | 1.52Å | |
O13 | C11 | doub | 1.21Å | 1.19Å | |
C10 | C11 | sing | 1.51Å | 1.54Å | |
C11 | O12 | sing | 1.34Å | 1.31Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C14 | H3 | sing | 1.08Å | 1.08Å | |
C15 | H4 | sing | 1.08Å | 1.08Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C01 | H7 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
C06 | H10 | sing | 1.09Å | 1.10Å | |
C06 | H11 | sing | 1.09Å | 1.10Å | |
C07 | H12 | sing | 1.09Å | 1.10Å | |
C07 | H13 | sing | 1.09Å | 1.10Å | |
C08 | H14 | sing | 1.09Å | 1.10Å | |
C09 | H15 | sing | 1.09Å | 1.10Å | |
C09 | H16 | sing | 1.09Å | 1.10Å | |
O12 | H17 | sing | 0.97Å | 0.95Å | |
C16 | H18 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | C14 | C04 | 119.9° | 120.6° |
C14 | C15 | C16 | 120.6° | 119.8° |
C15 | C14 | H3 | 120.0° | 119.7° |
C14 | C15 | H4 | 119.7° | 120.1° |
C14 | C04 | C05 | 116.7° | 117.8° |
C14 | C04 | C03 | 120.2° | 119.6° |
C04 | C14 | H3 | 120.1° | 119.7° |
C15 | C16 | C02 | 120.0° | 119.8° |
C16 | C15 | H4 | 119.8° | 120.2° |
C15 | C16 | H18 | 120.0° | 120.1° |
C04 | C05 | C06 | 116.0° | 110.6° |
C05 | C04 | C03 | 123.1° | 122.6° |
C04 | C05 | H8 | 107.8° | 109.2° |
C04 | C05 | H9 | 107.8° | 109.3° |
C05 | C06 | C07 | 112.6° | 108.4° |
C06 | C05 | H8 | 107.8° | 109.2° |
C06 | C05 | H9 | 107.8° | 109.3° |
C05 | C06 | H10 | 108.7° | 109.7° |
C05 | C06 | H11 | 108.7° | 109.6° |
C04 | C03 | C02 | 120.1° | 119.8° |
C04 | C03 | C08 | 120.1° | 122.5° |
C16 | C02 | C03 | 119.2° | 120.5° |
C16 | C02 | C01 | 118.0° | 119.7° |
C02 | C16 | H18 | 120.0° | 120.1° |
C06 | C07 | C08 | 115.2° | 108.4° |
C07 | C06 | H10 | 108.7° | 109.7° |
C07 | C06 | H11 | 108.7° | 109.7° |
C06 | C07 | H12 | 108.0° | 109.7° |
C06 | C07 | H13 | 108.0° | 109.7° |
C02 | C03 | C08 | 119.8° | 117.7° |
C03 | C02 | C01 | 122.8° | 119.8° |
C03 | C08 | C07 | 113.4° | 110.6° |
C03 | C08 | C09 | 111.0° | 109.3° |
C03 | C08 | H14 | 108.0° | 109.2° |
C02 | C01 | H5 | 109.5° | 109.5° |
C02 | C01 | H6 | 109.5° | 109.5° |
C02 | C01 | H7 | 109.5° | 109.5° |
C07 | C08 | C09 | 107.3° | 109.3° |
C08 | C07 | H12 | 108.0° | 109.7° |
C08 | C07 | H13 | 108.0° | 109.6° |
C07 | C08 | H14 | 108.5° | 109.3° |
C08 | C09 | C10 | 111.3° | 109.4° |
C09 | C08 | H14 | 108.4° | 109.2° |
C08 | C09 | H15 | 109.0° | 109.5° |
C08 | C09 | H16 | 109.0° | 109.4° |
C09 | C10 | C11 | 111.3° | 109.4° |
C09 | C10 | H1 | 109.0° | 109.5° |
C09 | C10 | H2 | 109.0° | 109.5° |
C10 | C09 | H15 | 109.0° | 109.5° |
C10 | C09 | H16 | 109.0° | 109.5° |
O13 | C11 | C10 | 120.9° | 120.0° |
O13 | C11 | O12 | 119.1° | 120.0° |
C10 | C11 | O12 | 120.0° | 120.0° |
C11 | C10 | H1 | 109.0° | 109.5° |
C11 | C10 | H2 | 109.0° | 109.4° |
C11 | O12 | H17 | 109.5° | 117.1° |
H1 | C10 | H2 | 109.5° | 109.5° |
H5 | C01 | H6 | 109.4° | 109.4° |
H5 | C01 | H7 | 109.5° | 109.4° |
H6 | C01 | H7 | 109.5° | 109.5° |
H8 | C05 | H9 | 109.5° | 109.2° |
H10 | C06 | H11 | 109.5° | 109.7° |
H12 | C07 | H13 | 109.5° | 109.7° |
H15 | C09 | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C15 | C14 | C04 | H3 | 180.0° | 179.8° |
C14 | C15 | C16 | H4 | 180.0° | 180.0° |
C15 | C14 | C04 | C05 | 180.0° | 179.4° |
C15 | C14 | C04 | C03 | 0.7° | 0.3° |
C14 | C15 | C16 | C02 | 0.5° | 0.2° |
C14 | C15 | C16 | H18 | 179.5° | 179.9° |
C04 | C14 | C15 | C16 | 0.6° | 0.0° |
C14 | C04 | C05 | C03 | 179.4° | 179.6° |
C14 | C04 | C05 | C06 | 179.6° | 162.6° |
C14 | C04 | C03 | C02 | 0.5° | 0.4° |
C14 | C04 | C03 | C08 | 179.6° | 179.5° |
C04 | C14 | C15 | H4 | 179.4° | 180.0° |
C14 | C04 | C05 | H8 | 58.6° | 77.2° |
C14 | C04 | C05 | H9 | 59.5° | 42.2° |
C15 | C16 | C02 | H18 | 180.0° | 179.9° |
C15 | C16 | C02 | C03 | 0.3° | 0.1° |
C15 | C16 | C02 | C01 | 179.1° | 179.9° |
C16 | C15 | C14 | H3 | 179.4° | 179.8° |
C04 | C05 | C06 | H8 | 120.9° | 120.2° |
C04 | C05 | C06 | H9 | 120.9° | 120.3° |
C04 | C05 | C06 | C07 | 23.7° | 51.1° |
C05 | C04 | C03 | C02 | 179.9° | 179.3° |
C05 | C04 | C03 | C08 | 1.1° | 0.8° |
C05 | C04 | C14 | H3 | 0.0° | 0.4° |
C04 | C05 | H8 | H9 | 117.0° | 119.4° |
C04 | C05 | C06 | H10 | 96.8° | 170.8° |
C04 | C05 | C06 | H11 | 144.1° | 68.7° |
C06 | C05 | C04 | C03 | 0.2° | 17.8° |
C05 | C06 | C07 | H10 | 120.5° | 119.7° |
C05 | C06 | C07 | H11 | 120.5° | 119.7° |
C05 | C06 | C07 | C08 | 49.6° | 69.8° |
C06 | C05 | H8 | H9 | 117.1° | 119.5° |
C05 | C06 | H10 | H11 | 118.6° | 120.5° |
C05 | C06 | C07 | H12 | 170.4° | 49.9° |
C05 | C06 | C07 | H13 | 71.2° | 170.5° |
C04 | C03 | C02 | C16 | 0.4° | 0.2° |
C04 | C03 | C02 | C08 | 179.1° | 179.9° |
C04 | C03 | C02 | C01 | 179.0° | 179.8° |
C04 | C03 | C08 | C07 | 23.7° | 17.9° |
C04 | C03 | C08 | C09 | 97.2° | 138.2° |
C03 | C04 | C14 | H3 | 179.3° | 179.9° |
C03 | C04 | C05 | H8 | 120.8° | 102.4° |
C03 | C04 | C05 | H9 | 121.1° | 138.1° |
C04 | C03 | C08 | H14 | 144.0° | 102.4° |
C16 | C02 | C03 | C01 | 179.4° | 180.0° |
C16 | C02 | C03 | C08 | 179.5° | 179.7° |
C02 | C16 | C15 | H4 | 179.5° | 179.8° |
C16 | C02 | C01 | H5 | 90.3° | 132.9° |
C16 | C02 | C01 | H6 | 149.8° | 12.9° |
C16 | C02 | C01 | H7 | 29.7° | 107.2° |
C06 | C07 | C08 | C03 | 49.1° | 51.1° |
C06 | C07 | C08 | H12 | 120.8° | 119.7° |
C06 | C07 | C08 | H13 | 120.8° | 119.7° |
C06 | C07 | C08 | C09 | 73.9° | 171.4° |
C07 | C06 | C05 | H8 | 144.6° | 69.2° |
C07 | C06 | C05 | H9 | 97.3° | 171.4° |
C07 | C06 | H10 | H11 | 118.6° | 120.5° |
C06 | C07 | H12 | H13 | 117.4° | 120.6° |
C06 | C07 | C08 | H14 | 169.1° | 69.2° |
C02 | C03 | C08 | C07 | 155.4° | 162.2° |
C02 | C03 | C08 | C09 | 83.7° | 41.9° |
C03 | C02 | C01 | H5 | 90.3° | 47.2° |
C03 | C02 | C01 | H6 | 29.7° | 167.2° |
C03 | C02 | C01 | H7 | 149.7° | 72.8° |
C02 | C03 | C08 | H14 | 35.1° | 77.5° |
C03 | C02 | C16 | H18 | 179.6° | 180.0° |
C08 | C03 | C02 | C01 | 0.1° | 0.3° |
C03 | C08 | C07 | C09 | 123.0° | 120.3° |
C03 | C08 | C07 | H14 | 120.0° | 120.3° |
C03 | C08 | C09 | H14 | 118.5° | 119.4° |
C03 | C08 | C09 | C10 | 136.8° | 46.1° |
C03 | C08 | C07 | H12 | 170.0° | 68.6° |
C03 | C08 | C07 | H13 | 71.7° | 170.8° |
C03 | C08 | C09 | H15 | 16.6° | 73.8° |
C03 | C08 | C09 | H16 | 102.9° | 166.1° |
C02 | C01 | H5 | H6 | 120.0° | 120.0° |
C02 | C01 | H5 | H7 | 120.0° | 120.0° |
C02 | C01 | H6 | H7 | 120.0° | 120.1° |
C01 | C02 | C16 | H18 | 0.9° | 0.0° |
C07 | C08 | C09 | H14 | 117.1° | 119.5° |
C07 | C08 | C09 | C10 | 98.8° | 75.0° |
C08 | C07 | C06 | H10 | 70.9° | 170.4° |
C08 | C07 | C06 | H11 | 170.0° | 49.9° |
C08 | C07 | H12 | H13 | 117.4° | 120.5° |
C07 | C08 | C09 | H15 | 141.0° | 165.0° |
C07 | C08 | C09 | H16 | 21.5° | 45.0° |
C08 | C09 | C10 | H15 | 120.3° | 120.0° |
C08 | C09 | C10 | H16 | 120.3° | 119.9° |
C08 | C09 | C10 | C11 | 128.4° | 180.0° |
C08 | C09 | C10 | H1 | 8.1° | 60.0° |
C08 | C09 | C10 | H2 | 111.3° | 60.1° |
C09 | C08 | C07 | H12 | 47.0° | 51.7° |
C09 | C08 | C07 | H13 | 165.3° | 68.8° |
C08 | C09 | H15 | H16 | 119.1° | 120.0° |
C09 | C10 | C11 | O13 | 49.8° | 0.1° |
C09 | C10 | C11 | H1 | 120.3° | 120.0° |
C09 | C10 | C11 | H2 | 120.3° | 120.0° |
C09 | C10 | C11 | O12 | 129.2° | 180.0° |
C09 | C10 | H1 | H2 | 119.1° | 120.1° |
C10 | C09 | C08 | H14 | 18.3° | 165.5° |
C10 | C09 | H15 | H16 | 119.2° | 120.1° |
O13 | C11 | C10 | O12 | 179.0° | 179.9° |
O13 | C11 | C10 | H1 | 170.1° | 120.0° |
O13 | C11 | C10 | H2 | 70.5° | 120.0° |
O13 | C11 | O12 | H17 | 0.0° | 0.0° |
C11 | C10 | H1 | H2 | 119.1° | 120.0° |
C11 | C10 | C09 | H15 | 111.4° | 60.0° |
C11 | C10 | C09 | H16 | 8.1° | 60.1° |
C10 | C11 | O12 | H17 | 179.0° | 180.0° |
O12 | C11 | C10 | H1 | 8.9° | 60.0° |
O12 | C11 | C10 | H2 | 110.5° | 60.0° |
H1 | C10 | C09 | H15 | 128.4° | 180.0° |
H1 | C10 | C09 | H16 | 112.2° | 59.9° |
H2 | C10 | C09 | H15 | 8.9° | 59.9° |
H2 | C10 | C09 | H16 | 128.4° | 180.0° |
H3 | C14 | C15 | H4 | 0.6° | 0.2° |
H4 | C15 | C16 | H18 | 0.5° | 0.1° |
H5 | C01 | H6 | H7 | 120.0° | 119.9° |
H8 | C05 | C06 | H10 | 24.1° | 50.6° |
H8 | C05 | C06 | H11 | 95.0° | 171.1° |
H9 | C05 | C06 | H10 | 142.2° | 68.9° |
H9 | C05 | C06 | H11 | 23.2° | 51.6° |
H10 | C06 | C07 | H12 | 49.9° | 69.8° |
H10 | C06 | C07 | H13 | 168.3° | 50.7° |
H11 | C06 | C07 | H12 | 69.1° | 169.6° |
H11 | C06 | C07 | H13 | 49.2° | 69.8° |
H12 | C07 | C08 | H14 | 70.0° | 171.1° |
H13 | C07 | C08 | H14 | 48.3° | 50.6° |
H14 | C08 | C09 | H15 | 101.9° | 45.6° |
H14 | C08 | C09 | H16 | 138.6° | 74.5° |