Y6G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | doub | 1.39Å | 1.42Å | Aromatic |
| C08 | C09 | sing | 1.36Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| N28 | C27 | doub | 1.30Å | 1.33Å | Aromatic |
| N28 | C24 | sing | 1.35Å | 1.31Å | Aromatic |
| C10 | C05 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | N11 | sing | 1.35Å | 1.37Å | Aromatic |
| C05 | N04 | sing | 1.37Å | 1.36Å | Aromatic |
| C27 | N26 | sing | 1.35Å | 1.31Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| N11 | N12 | doub | 1.29Å | 1.30Å | Aromatic |
| C24 | C23 | sing | 1.48Å | 1.52Å | |
| C24 | C25 | doub | 1.36Å | 1.34Å | Aromatic |
| N04 | C03 | sing | 1.47Å | 1.44Å | |
| N04 | N12 | sing | 1.40Å | 1.35Å | Aromatic |
| N26 | C25 | sing | 1.37Å | 1.31Å | Aromatic |
| C23 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.51Å | |
| C20 | N13 | sing | 1.40Å | 1.43Å | |
| C20 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | N13 | sing | 1.35Å | 1.42Å | |
| C02 | O01 | doub | 1.21Å | 1.23Å | |
| N13 | C14 | sing | 1.46Å | 1.45Å | |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C19 | sing | 1.38Å | 1.54Å | Aromatic |
| C15 | C16 | doub | 1.33Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.33Å | 1.45Å | Aromatic |
| C16 | S17 | sing | 1.76Å | 1.62Å | Aromatic |
| C18 | S17 | sing | 1.76Å | 1.62Å | Aromatic |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| N26 | H15 | sing | 0.97Å | 1.00Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C08 | C09 | 119.5° | 120.8° |
| C08 | C07 | C06 | 123.1° | 120.5° |
| C08 | C07 | H4 | 118.5° | 119.8° |
| C07 | C08 | H5 | 120.3° | 119.6° |
| C08 | C09 | C10 | 117.5° | 119.9° |
| C09 | C08 | H5 | 120.2° | 119.6° |
| C08 | C09 | H6 | 121.2° | 120.0° |
| C07 | C06 | C05 | 117.0° | 119.6° |
| C07 | C06 | H3 | 121.5° | 120.2° |
| C06 | C07 | H4 | 118.5° | 119.8° |
| C06 | C05 | C10 | 118.9° | 120.0° |
| C06 | C05 | N04 | 134.7° | 133.9° |
| C05 | C06 | H3 | 121.5° | 120.2° |
| C09 | C10 | C05 | 124.0° | 119.3° |
| C09 | C10 | N11 | 130.6° | 133.1° |
| C10 | C09 | H6 | 121.3° | 120.0° |
| C27 | N28 | C24 | 105.7° | 109.2° |
| N28 | C27 | N26 | 108.7° | 109.0° |
| N28 | C27 | H16 | 125.7° | 125.5° |
| N28 | C24 | C23 | 123.8° | 126.1° |
| N28 | C24 | C25 | 110.5° | 107.7° |
| C05 | C10 | N11 | 105.3° | 107.7° |
| C10 | C05 | N04 | 106.4° | 106.1° |
| C10 | N11 | N12 | 110.3° | 110.3° |
| C05 | N04 | C03 | 128.4° | 126.8° |
| C05 | N04 | N12 | 108.9° | 106.5° |
| C27 | N26 | C25 | 109.8° | 107.5° |
| C27 | N26 | H15 | 125.0° | 126.3° |
| N26 | C27 | H16 | 125.6° | 125.5° |
| C21 | C22 | C23 | 118.5° | 119.9° |
| C22 | C21 | C20 | 118.3° | 120.1° |
| C22 | C21 | H12 | 120.9° | 119.9° |
| C21 | C22 | H13 | 120.8° | 120.1° |
| C22 | C23 | C24 | 117.4° | 120.1° |
| C22 | C23 | C29 | 122.9° | 119.9° |
| C23 | C22 | H13 | 120.7° | 120.0° |
| C21 | C20 | N13 | 118.3° | 120.0° |
| C21 | C20 | C30 | 122.3° | 120.1° |
| C20 | C21 | H12 | 120.8° | 120.0° |
| N11 | N12 | N04 | 109.0° | 109.4° |
| C23 | C24 | C25 | 125.7° | 126.2° |
| C24 | C23 | C29 | 119.6° | 120.1° |
| C24 | C25 | N26 | 105.2° | 106.7° |
| C24 | C25 | H14 | 127.4° | 126.6° |
| C03 | N04 | N12 | 122.5° | 126.8° |
| N04 | C03 | C02 | 108.1° | 109.5° |
| N04 | C03 | H1 | 109.8° | 109.5° |
| N04 | C03 | H2 | 109.8° | 109.5° |
| N26 | C25 | H14 | 127.4° | 126.7° |
| C25 | N26 | H15 | 125.1° | 126.2° |
| C23 | C29 | C30 | 117.7° | 120.0° |
| C23 | C29 | H18 | 121.1° | 120.0° |
| C03 | C02 | N13 | 118.9° | 120.0° |
| C03 | C02 | O01 | 124.4° | 120.0° |
| C02 | C03 | H1 | 109.8° | 109.5° |
| C02 | C03 | H2 | 109.8° | 109.5° |
| N13 | C20 | C30 | 119.3° | 119.9° |
| C20 | N13 | C02 | 121.8° | 120.0° |
| C20 | N13 | C14 | 118.5° | 120.0° |
| C20 | C30 | C29 | 119.7° | 120.0° |
| C20 | C30 | H19 | 120.1° | 120.0° |
| N13 | C02 | O01 | 116.7° | 120.0° |
| C02 | N13 | C14 | 119.4° | 120.0° |
| N13 | C14 | C15 | 114.6° | 109.5° |
| N13 | C14 | H7 | 108.2° | 109.5° |
| N13 | C14 | H8 | 108.2° | 109.5° |
| C30 | C29 | H18 | 121.1° | 120.0° |
| C29 | C30 | H19 | 120.1° | 120.0° |
| C14 | C15 | C19 | 128.7° | 122.5° |
| C14 | C15 | C16 | 122.4° | 122.5° |
| C15 | C14 | H7 | 108.2° | 109.4° |
| C15 | C14 | H8 | 108.2° | 109.5° |
| C19 | C15 | C16 | 108.9° | 114.9° |
| C15 | C19 | C18 | 111.9° | 114.9° |
| C15 | C19 | H11 | 124.1° | 122.5° |
| C15 | C16 | S17 | 109.9° | 109.6° |
| C15 | C16 | H9 | 125.0° | 125.2° |
| C19 | C18 | S17 | 106.0° | 109.5° |
| C19 | C18 | H10 | 127.0° | 125.2° |
| C18 | C19 | H11 | 124.0° | 122.5° |
| C16 | S17 | C18 | 103.2° | 91.0° |
| S17 | C16 | H9 | 125.0° | 125.2° |
| S17 | C18 | H10 | 127.0° | 125.2° |
| H1 | C03 | H2 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C08 | C09 | H5 | 180.0° | 179.9° |
| C08 | C07 | C06 | H4 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 3.3° | 0.0° |
| C07 | C08 | C09 | C10 | 0.2° | 0.1° |
| C08 | C07 | C06 | H3 | 176.7° | 180.0° |
| C07 | C08 | C09 | H6 | 179.8° | 179.9° |
| C09 | C08 | C07 | C06 | 2.3° | 0.1° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | C05 | 1.6° | 0.0° |
| C08 | C09 | C10 | N11 | 177.4° | 179.9° |
| C09 | C08 | C07 | H4 | 177.7° | 180.0° |
| C07 | C06 | C05 | H3 | 180.0° | 179.9° |
| C07 | C06 | C05 | C10 | 1.9° | 0.0° |
| C07 | C06 | C05 | N04 | 179.3° | 180.0° |
| C06 | C07 | C08 | H5 | 177.7° | 180.0° |
| C06 | C05 | C10 | C09 | 0.5° | 0.0° |
| C06 | C05 | C10 | N04 | 178.1° | 180.0° |
| C06 | C05 | C10 | N11 | 177.2° | 180.0° |
| C06 | C05 | N04 | C03 | 0.1° | 0.0° |
| C06 | C05 | N04 | N12 | 175.4° | 179.7° |
| C05 | C06 | C07 | H4 | 176.6° | 180.0° |
| C09 | C10 | C05 | N11 | 176.7° | 180.0° |
| C09 | C10 | C05 | N04 | 177.6° | 180.0° |
| C09 | C10 | N11 | N12 | 175.5° | 179.7° |
| C10 | C09 | C08 | H5 | 179.8° | 180.0° |
| N28 | C27 | N26 | H16 | 180.0° | 179.8° |
| C27 | N28 | C24 | C23 | 179.7° | 179.9° |
| C27 | N28 | C24 | C25 | 2.1° | 0.5° |
| N28 | C27 | N26 | C25 | 0.2° | 0.3° |
| N28 | C27 | N26 | H15 | 179.8° | 179.8° |
| C24 | N28 | C27 | N26 | 1.1° | 0.5° |
| N28 | C24 | C23 | C22 | 29.4° | 0.4° |
| N28 | C24 | C23 | C25 | 177.3° | 179.5° |
| N28 | C24 | C25 | N26 | 2.2° | 0.3° |
| N28 | C24 | C23 | C29 | 154.6° | 179.7° |
| N28 | C24 | C25 | H14 | 177.8° | 179.7° |
| C24 | N28 | C27 | H16 | 178.9° | 179.8° |
| C05 | C10 | N11 | N12 | 0.9° | 0.3° |
| C10 | C05 | N04 | C03 | 177.6° | 180.0° |
| C10 | C05 | N04 | N12 | 2.3° | 0.2° |
| C10 | C05 | C06 | H3 | 178.1° | 180.0° |
| C05 | C10 | C09 | H6 | 178.4° | 179.9° |
| N11 | C10 | C05 | N04 | 0.9° | 0.0° |
| C10 | N11 | N12 | N04 | 2.4° | 0.4° |
| N11 | C10 | C09 | H6 | 2.6° | 0.1° |
| C05 | N04 | N12 | N11 | 3.0° | 0.4° |
| C05 | N04 | C03 | N12 | 174.7° | 179.7° |
| C05 | N04 | C03 | C02 | 76.4° | 89.7° |
| C05 | N04 | C03 | H1 | 43.4° | 150.3° |
| C05 | N04 | C03 | H2 | 163.8° | 30.3° |
| N04 | C05 | C06 | H3 | 0.7° | 0.1° |
| C27 | N26 | C25 | C24 | 1.5° | 0.0° |
| C27 | N26 | C25 | H15 | 180.0° | 180.0° |
| C27 | N26 | C25 | H14 | 178.5° | 180.0° |
| C21 | C22 | C23 | H13 | 180.0° | 179.9° |
| C22 | C21 | C20 | H12 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 178.4° | 179.9° |
| C21 | C22 | C23 | C29 | 5.8° | 0.0° |
| C22 | C21 | C20 | N13 | 178.3° | 180.0° |
| C22 | C21 | C20 | C30 | 5.4° | 0.2° |
| C23 | C22 | C21 | C20 | 5.0° | 0.0° |
| C22 | C23 | C24 | C29 | 176.0° | 179.9° |
| C22 | C23 | C24 | C25 | 153.4° | 180.0° |
| C22 | C23 | C29 | C30 | 6.5° | 0.3° |
| C23 | C22 | C21 | H12 | 175.0° | 180.0° |
| C22 | C23 | C29 | H18 | 173.5° | 180.0° |
| C21 | C20 | N13 | C30 | 176.5° | 179.8° |
| C21 | C20 | N13 | C02 | 102.6° | 172.2° |
| C21 | C20 | N13 | C14 | 71.0° | 7.9° |
| C21 | C20 | C30 | C29 | 6.2° | 0.5° |
| C20 | C21 | C22 | H13 | 175.0° | 180.0° |
| C21 | C20 | C30 | H19 | 173.8° | 179.8° |
| N11 | N12 | N04 | C03 | 178.6° | 179.9° |
| C23 | C24 | C25 | N26 | 179.8° | 179.9° |
| C24 | C23 | C29 | C30 | 177.7° | 179.7° |
| C24 | C23 | C22 | H13 | 1.6° | 0.1° |
| C23 | C24 | C25 | H14 | 0.2° | 0.1° |
| C24 | C23 | C29 | H18 | 2.3° | 0.1° |
| C24 | C25 | N26 | H14 | 180.0° | 179.9° |
| C25 | C24 | C23 | C29 | 22.6° | 0.1° |
| C24 | C25 | N26 | H15 | 178.5° | 179.9° |
| N04 | C03 | C02 | H1 | 119.8° | 120.0° |
| N04 | C03 | C02 | H2 | 119.8° | 120.0° |
| N04 | C03 | C02 | N13 | 161.6° | 175.5° |
| N04 | C03 | C02 | O01 | 15.8° | 4.3° |
| N04 | C03 | H1 | H2 | 120.6° | 120.0° |
| N12 | N04 | C03 | C02 | 98.3° | 89.9° |
| N12 | N04 | C03 | H1 | 141.9° | 30.0° |
| N12 | N04 | C03 | H2 | 21.5° | 150.0° |
| C25 | N26 | C27 | H16 | 179.7° | 180.0° |
| C23 | C29 | C30 | C20 | 6.5° | 0.5° |
| C23 | C29 | C30 | H18 | 180.0° | 179.7° |
| C29 | C23 | C22 | H13 | 174.2° | 180.0° |
| C23 | C29 | C30 | H19 | 173.5° | 179.8° |
| C03 | C02 | N13 | C20 | 1.1° | 173.8° |
| C03 | C02 | N13 | O01 | 177.5° | 179.8° |
| C03 | C02 | N13 | C14 | 174.6° | 6.1° |
| C02 | C03 | H1 | H2 | 120.6° | 120.0° |
| C20 | N13 | C02 | C14 | 173.6° | 180.0° |
| C20 | N13 | C02 | O01 | 176.5° | 6.0° |
| N13 | C20 | C30 | C29 | 177.5° | 179.7° |
| C20 | N13 | C14 | C15 | 64.2° | 83.3° |
| C20 | N13 | C14 | H7 | 175.1° | 36.7° |
| C20 | N13 | C14 | H8 | 56.5° | 156.7° |
| N13 | C20 | C21 | H12 | 1.7° | 0.1° |
| N13 | C20 | C30 | H19 | 2.6° | 0.0° |
| C30 | C20 | N13 | C02 | 73.9° | 8.0° |
| C30 | C20 | N13 | C14 | 112.5° | 171.9° |
| C20 | C30 | C29 | H19 | 180.0° | 179.7° |
| C30 | C20 | C21 | H12 | 174.7° | 179.7° |
| C20 | C30 | C29 | H18 | 173.5° | 179.7° |
| C02 | N13 | C14 | C15 | 122.0° | 96.7° |
| N13 | C02 | C03 | H1 | 41.8° | 55.6° |
| N13 | C02 | C03 | H2 | 78.7° | 64.4° |
| C02 | N13 | C14 | H7 | 1.3° | 143.3° |
| C02 | N13 | C14 | H8 | 117.3° | 23.3° |
| O01 | C02 | N13 | C14 | 2.9° | 174.1° |
| O01 | C02 | C03 | H1 | 135.6° | 124.2° |
| O01 | C02 | C03 | H2 | 104.0° | 115.8° |
| N13 | C14 | C15 | H7 | 120.8° | 120.0° |
| N13 | C14 | C15 | H8 | 120.7° | 120.0° |
| N13 | C14 | C15 | C19 | 115.7° | 93.8° |
| N13 | C14 | C15 | C16 | 63.6° | 85.8° |
| N13 | C14 | H7 | H8 | 117.7° | 120.0° |
| C14 | C15 | C19 | C16 | 179.5° | 179.7° |
| C14 | C15 | C19 | C18 | 178.1° | 179.8° |
| C14 | C15 | C16 | S17 | 179.5° | 180.0° |
| C15 | C14 | H7 | H8 | 117.7° | 120.0° |
| C14 | C15 | C16 | H9 | 0.5° | 0.1° |
| C14 | C15 | C19 | H11 | 1.9° | 0.0° |
| C15 | C19 | C18 | H11 | 180.0° | 179.8° |
| C19 | C15 | C16 | S17 | 0.0° | 0.3° |
| C15 | C19 | C18 | S17 | 3.7° | 0.5° |
| C19 | C15 | C14 | H7 | 123.5° | 26.2° |
| C19 | C15 | C14 | H8 | 5.0° | 146.2° |
| C19 | C15 | C16 | H9 | 180.0° | 179.8° |
| C15 | C19 | C18 | H10 | 176.3° | 179.8° |
| C16 | C15 | C19 | C18 | 2.5° | 0.5° |
| C15 | C16 | S17 | H9 | 180.0° | 180.0° |
| C15 | C16 | S17 | C18 | 2.1° | 0.0° |
| C16 | C15 | C14 | H7 | 57.1° | 154.1° |
| C16 | C15 | C14 | H8 | 175.6° | 34.2° |
| C16 | C15 | C19 | H11 | 177.6° | 179.7° |
| C19 | C18 | S17 | C16 | 3.4° | 0.3° |
| C19 | C18 | S17 | H10 | 180.0° | 179.7° |
| C16 | S17 | C18 | H10 | 176.5° | 180.0° |
| C18 | S17 | C16 | H9 | 177.9° | 180.0° |
| S17 | C18 | C19 | H11 | 176.3° | 179.7° |
| H3 | C06 | C07 | H4 | 3.4° | 0.1° |
| H4 | C07 | C08 | H5 | 2.3° | 0.1° |
| H5 | C08 | C09 | H6 | 0.2° | 0.0° |
| H10 | C18 | C19 | H11 | 3.7° | 0.0° |
| H12 | C21 | C22 | H13 | 4.9° | 0.1° |
| H14 | C25 | N26 | H15 | 1.5° | 0.0° |
| H15 | N26 | C27 | H16 | 0.3° | 0.0° |
| H18 | C29 | C30 | H19 | 6.5° | 0.0° |






