H6G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | N28 | sing | 1.32Å | 1.32Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| N28 | C23 | doub | 1.33Å | 1.32Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.48Å | 1.53Å | |
| C17 | C16 | doub | 1.33Å | 1.32Å | |
| C22 | N29 | doub | 1.32Å | 1.32Å | Aromatic |
| C22 | N21 | sing | 1.33Å | 1.32Å | Aromatic |
| C16 | C15 | sing | 1.47Å | 1.52Å | |
| N29 | C07 | sing | 1.33Å | 1.32Å | Aromatic |
| N21 | C09 | doub | 1.33Å | 1.32Å | Aromatic |
| C19 | C20 | sing | 1.55Å | 1.53Å | |
| C19 | N14 | sing | 1.45Å | 1.45Å | |
| C07 | N06 | sing | 1.39Å | 1.45Å | |
| C07 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | N14 | sing | 1.35Å | 1.45Å | |
| C15 | O18 | doub | 1.22Å | 1.18Å | |
| C09 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | N10 | sing | 1.39Å | 1.46Å | |
| C20 | N10 | sing | 1.41Å | 1.46Å | |
| N06 | C05 | sing | 1.47Å | 1.45Å | |
| N14 | C13 | sing | 1.48Å | 1.45Å | |
| N10 | C11 | sing | 1.46Å | 1.46Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.54Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | O01 | doub | 1.21Å | 1.26Å | |
| C02 | O03 | sing | 1.34Å | 1.26Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| N06 | H23 | sing | 0.97Å | 1.00Å | |
| O03 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C25 | 119.8° | 119.3° |
| C26 | C27 | N28 | 120.6° | 120.9° |
| C27 | C26 | H8 | 120.1° | 120.3° |
| C26 | C27 | H22 | 119.7° | 119.6° |
| C26 | C25 | C24 | 117.4° | 118.5° |
| C25 | C26 | H8 | 120.1° | 120.3° |
| C26 | C25 | H21 | 121.3° | 120.8° |
| C27 | N28 | C23 | 122.0° | 121.7° |
| N28 | C27 | H22 | 119.7° | 119.6° |
| C25 | C24 | C23 | 120.2° | 119.1° |
| C25 | C24 | H7 | 119.9° | 120.5° |
| C24 | C25 | H21 | 121.3° | 120.7° |
| N28 | C23 | C24 | 120.1° | 120.5° |
| N28 | C23 | C22 | 119.9° | 119.7° |
| C24 | C23 | C22 | 120.0° | 119.7° |
| C23 | C24 | H7 | 119.9° | 120.4° |
| C23 | C22 | N29 | 118.7° | 119.1° |
| C23 | C22 | N21 | 119.0° | 119.1° |
| C17 | C16 | C15 | 119.6° | 120.0° |
| C16 | C17 | H3 | 120.0° | 120.0° |
| C16 | C17 | H4 | 120.0° | 120.0° |
| C17 | C16 | H18 | 120.2° | 120.0° |
| N29 | C22 | N21 | 122.3° | 121.7° |
| C22 | N29 | C07 | 119.9° | 120.8° |
| C22 | N21 | C09 | 120.9° | 120.8° |
| C16 | C15 | N14 | 120.4° | 120.0° |
| C16 | C15 | O18 | 119.9° | 120.0° |
| C15 | C16 | H18 | 120.2° | 120.0° |
| N29 | C07 | N06 | 119.4° | 120.5° |
| N29 | C07 | C08 | 120.1° | 119.1° |
| N21 | C09 | C08 | 118.9° | 119.1° |
| N21 | C09 | N10 | 120.5° | 120.4° |
| C20 | C19 | N14 | 112.3° | 109.7° |
| C19 | C20 | N10 | 116.3° | 110.0° |
| C19 | C20 | H5 | 107.7° | 109.4° |
| C19 | C20 | H6 | 107.7° | 109.3° |
| C20 | C19 | H19 | 108.8° | 109.4° |
| C20 | C19 | H20 | 108.8° | 109.4° |
| C19 | N14 | C15 | 121.0° | 118.8° |
| C19 | N14 | C13 | 118.7° | 122.5° |
| N14 | C19 | H19 | 108.8° | 109.4° |
| N14 | C19 | H20 | 108.7° | 109.4° |
| N06 | C07 | C08 | 120.5° | 120.4° |
| C07 | N06 | C05 | 119.7° | 120.0° |
| C07 | N06 | H23 | 106.9° | 120.0° |
| C07 | C08 | C09 | 117.8° | 118.4° |
| C07 | C08 | H13 | 121.1° | 120.8° |
| N14 | C15 | O18 | 119.7° | 120.0° |
| C15 | N14 | C13 | 120.3° | 118.7° |
| C08 | C09 | N10 | 120.6° | 120.5° |
| C09 | C08 | H13 | 121.1° | 120.8° |
| C09 | N10 | C20 | 116.1° | 111.0° |
| C09 | N10 | C11 | 115.7° | 111.0° |
| C20 | N10 | C11 | 119.4° | 116.3° |
| N10 | C20 | H5 | 107.7° | 109.4° |
| N10 | C20 | H6 | 107.7° | 109.4° |
| N06 | C05 | C04 | 109.9° | 109.5° |
| N06 | C05 | H11 | 109.4° | 109.5° |
| N06 | C05 | H12 | 109.4° | 109.5° |
| C05 | N06 | H23 | 106.8° | 120.0° |
| N14 | C13 | C12 | 110.8° | 111.3° |
| N14 | C13 | H1 | 109.1° | 109.1° |
| N14 | C13 | H2 | 109.2° | 109.1° |
| N10 | C11 | C12 | 117.0° | 109.1° |
| N10 | C11 | H14 | 107.6° | 109.5° |
| N10 | C11 | H15 | 107.5° | 109.6° |
| C05 | C04 | C02 | 111.5° | 109.5° |
| C05 | C04 | H9 | 108.9° | 109.5° |
| C05 | C04 | H10 | 109.0° | 109.5° |
| C04 | C05 | H11 | 109.4° | 109.5° |
| C04 | C05 | H12 | 109.4° | 109.5° |
| C13 | C12 | C11 | 114.3° | 109.7° |
| C12 | C13 | H1 | 109.1° | 109.1° |
| C12 | C13 | H2 | 109.1° | 109.1° |
| C13 | C12 | H16 | 108.3° | 109.4° |
| C13 | C12 | H17 | 108.3° | 109.4° |
| C12 | C11 | H14 | 107.6° | 109.5° |
| C12 | C11 | H15 | 107.6° | 109.5° |
| C11 | C12 | H16 | 108.2° | 109.5° |
| C11 | C12 | H17 | 108.3° | 109.4° |
| C04 | C02 | O01 | 119.8° | 120.0° |
| C04 | C02 | O03 | 119.9° | 120.0° |
| C02 | C04 | H9 | 109.0° | 109.5° |
| C02 | C04 | H10 | 109.0° | 109.4° |
| O01 | C02 | O03 | 120.3° | 119.9° |
| C02 | O03 | H24 | 109.5° | 117.0° |
| H1 | C13 | H2 | 109.5° | 109.2° |
| H3 | C17 | H4 | 120.0° | 120.0° |
| H5 | C20 | H6 | 109.5° | 109.3° |
| H9 | C04 | H10 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.6° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H19 | C19 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C25 | H8 | 180.0° | 179.2° |
| C26 | C27 | N28 | H22 | 180.0° | 179.2° |
| C27 | C26 | C25 | C24 | 0.0° | 0.5° |
| C26 | C27 | N28 | C23 | 0.1° | 0.5° |
| C27 | C26 | C25 | H21 | 180.0° | 179.5° |
| C25 | C26 | C27 | N28 | 0.1° | 0.8° |
| C26 | C25 | C24 | H21 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.0° | 0.0° |
| C26 | C25 | C24 | H7 | 180.0° | 179.7° |
| C25 | C26 | C27 | H22 | 180.0° | 180.0° |
| C27 | N28 | C23 | C24 | 0.0° | 0.1° |
| C27 | N28 | C23 | C22 | 180.0° | 180.0° |
| N28 | C27 | C26 | H8 | 179.9° | 180.0° |
| C25 | C24 | C23 | N28 | 0.0° | 0.4° |
| C25 | C24 | C23 | H7 | 180.0° | 179.6° |
| C25 | C24 | C23 | C22 | 179.9° | 179.8° |
| C24 | C25 | C26 | H8 | 180.0° | 179.7° |
| N28 | C23 | C24 | C22 | 179.9° | 179.9° |
| N28 | C23 | C22 | N29 | 14.0° | 180.0° |
| N28 | C23 | C22 | N21 | 165.6° | 0.2° |
| N28 | C23 | C24 | H7 | 180.0° | 180.0° |
| C23 | N28 | C27 | H22 | 179.9° | 179.7° |
| C24 | C23 | C22 | N29 | 166.0° | 0.1° |
| C24 | C23 | C22 | N21 | 14.3° | 179.7° |
| C23 | C24 | C25 | H21 | 180.0° | 179.9° |
| C23 | C22 | N29 | N21 | 179.6° | 179.8° |
| C23 | C22 | N29 | C07 | 179.9° | 179.7° |
| C23 | C22 | N21 | C09 | 179.6° | 179.7° |
| C22 | C23 | C24 | H7 | 0.0° | 0.1° |
| C17 | C16 | C15 | H18 | 180.0° | 179.9° |
| C17 | C16 | C15 | N14 | 130.8° | 180.0° |
| C17 | C16 | C15 | O18 | 49.4° | 0.1° |
| C16 | C17 | H3 | H4 | 180.0° | 179.9° |
| N29 | C22 | N21 | C09 | 0.8° | 0.0° |
| C22 | N29 | C07 | N06 | 179.7° | 180.0° |
| C22 | N29 | C07 | C08 | 0.5° | 0.0° |
| N21 | C22 | N29 | C07 | 0.5° | 0.0° |
| C22 | N21 | C09 | C08 | 1.1° | 0.0° |
| C22 | N21 | C09 | N10 | 179.8° | 180.0° |
| C16 | C15 | N14 | C19 | 0.5° | 0.0° |
| C16 | C15 | N14 | O18 | 179.8° | 179.9° |
| C16 | C15 | N14 | C13 | 179.6° | 180.0° |
| C15 | C16 | C17 | H3 | 0.0° | 180.0° |
| C15 | C16 | C17 | H4 | 180.0° | 0.1° |
| N29 | C07 | N06 | C08 | 179.1° | 179.9° |
| N29 | C07 | C08 | C09 | 0.8° | 0.1° |
| N29 | C07 | N06 | C05 | 176.8° | 180.0° |
| N29 | C07 | C08 | H13 | 179.2° | 180.0° |
| N29 | C07 | N06 | H23 | 55.4° | 0.0° |
| N21 | C09 | C08 | C07 | 1.1° | 0.1° |
| N21 | C09 | C08 | N10 | 178.7° | 179.9° |
| N21 | C09 | N10 | C20 | 14.6° | 124.0° |
| N21 | C09 | N10 | C11 | 162.1° | 7.1° |
| N21 | C09 | C08 | H13 | 178.9° | 180.0° |
| C20 | C19 | N14 | H19 | 120.4° | 120.1° |
| C20 | C19 | N14 | H20 | 120.4° | 120.1° |
| C20 | C19 | N14 | C15 | 137.4° | 90.3° |
| C19 | C20 | N10 | C09 | 62.9° | 168.3° |
| C19 | C20 | N10 | H5 | 121.0° | 120.2° |
| C19 | C20 | N10 | H6 | 121.0° | 120.1° |
| C20 | C19 | N14 | C13 | 41.7° | 89.7° |
| C19 | C20 | N10 | C11 | 83.3° | 63.4° |
| C19 | C20 | H5 | H6 | 116.9° | 119.7° |
| C20 | C19 | H19 | H20 | 118.7° | 119.9° |
| C19 | N14 | C15 | C13 | 179.1° | 179.9° |
| C19 | N14 | C15 | O18 | 179.7° | 179.9° |
| N14 | C19 | C20 | N10 | 39.0° | 69.7° |
| C19 | N14 | C13 | C12 | 94.1° | 41.7° |
| C19 | N14 | C13 | H1 | 26.1° | 162.1° |
| C19 | N14 | C13 | H2 | 145.7° | 78.7° |
| N14 | C19 | C20 | H5 | 160.0° | 50.5° |
| N14 | C19 | C20 | H6 | 81.9° | 170.1° |
| N14 | C19 | H19 | H20 | 118.7° | 119.9° |
| N06 | C07 | C08 | C09 | 180.0° | 180.0° |
| C07 | N06 | C05 | H23 | 121.4° | 180.0° |
| C07 | N06 | C05 | C04 | 104.9° | 180.0° |
| C07 | N06 | C05 | H11 | 15.2° | 60.0° |
| C07 | N06 | C05 | H12 | 135.0° | 60.0° |
| N06 | C07 | C08 | H13 | 0.0° | 0.1° |
| C07 | C08 | C09 | H13 | 180.0° | 179.9° |
| C07 | C08 | C09 | N10 | 179.8° | 180.0° |
| C08 | C07 | N06 | C05 | 4.0° | 0.0° |
| C08 | C07 | N06 | H23 | 125.4° | 180.0° |
| C15 | N14 | C13 | C12 | 85.1° | 138.3° |
| C15 | N14 | C13 | H1 | 154.7° | 17.9° |
| C15 | N14 | C13 | H2 | 35.1° | 101.2° |
| N14 | C15 | C16 | H18 | 49.2° | 0.1° |
| C15 | N14 | C19 | H19 | 102.2° | 149.6° |
| C15 | N14 | C19 | H20 | 17.0° | 29.8° |
| O18 | C15 | N14 | C13 | 0.6° | 0.1° |
| O18 | C15 | C16 | H18 | 130.6° | 180.0° |
| C08 | C09 | N10 | C20 | 166.7° | 56.1° |
| C08 | C09 | N10 | C11 | 19.2° | 172.9° |
| C09 | N10 | C20 | C11 | 146.2° | 128.2° |
| C09 | N10 | C11 | C12 | 84.3° | 144.8° |
| C09 | N10 | C20 | H5 | 58.1° | 71.5° |
| C09 | N10 | C20 | H6 | 176.1° | 48.2° |
| N10 | C09 | C08 | H13 | 0.2° | 0.1° |
| C09 | N10 | C11 | H14 | 36.8° | 24.9° |
| C09 | N10 | C11 | H15 | 154.6° | 95.3° |
| C20 | N10 | C11 | C12 | 62.0° | 87.0° |
| N10 | C20 | H5 | H6 | 116.9° | 119.8° |
| C20 | N10 | C11 | H14 | 176.9° | 153.1° |
| C20 | N10 | C11 | H15 | 59.1° | 32.9° |
| N10 | C20 | C19 | H19 | 159.5° | 50.3° |
| N10 | C20 | C19 | H20 | 81.4° | 170.2° |
| N06 | C05 | C04 | H11 | 120.1° | 120.0° |
| N06 | C05 | C04 | H12 | 120.1° | 120.0° |
| N06 | C05 | C04 | C02 | 165.0° | 180.0° |
| N06 | C05 | C04 | H9 | 74.7° | 60.0° |
| N06 | C05 | C04 | H10 | 44.7° | 60.0° |
| N06 | C05 | H11 | H12 | 119.8° | 120.0° |
| N14 | C13 | C12 | H1 | 120.2° | 120.4° |
| N14 | C13 | C12 | H2 | 120.2° | 120.4° |
| N14 | C13 | C12 | C11 | 70.1° | 40.0° |
| N14 | C13 | H1 | H2 | 119.4° | 119.1° |
| N14 | C13 | C12 | H16 | 169.2° | 80.1° |
| N14 | C13 | C12 | H17 | 50.6° | 160.1° |
| C13 | N14 | C19 | H19 | 78.7° | 30.3° |
| C13 | N14 | C19 | H20 | 162.2° | 150.2° |
| N10 | C11 | C12 | C13 | 45.2° | 92.4° |
| N10 | C11 | C12 | H14 | 121.1° | 119.9° |
| N10 | C11 | C12 | H15 | 121.1° | 119.9° |
| C11 | N10 | C20 | H5 | 155.7° | 56.7° |
| C11 | N10 | C20 | H6 | 37.7° | 176.5° |
| N10 | C11 | H14 | H15 | 116.5° | 120.2° |
| N10 | C11 | C12 | H16 | 165.9° | 27.7° |
| N10 | C11 | C12 | H17 | 75.5° | 147.6° |
| C05 | C04 | C02 | H9 | 120.3° | 120.0° |
| C05 | C04 | C02 | H10 | 120.3° | 120.0° |
| C05 | C04 | C02 | O01 | 35.1° | 0.0° |
| C05 | C04 | C02 | O03 | 144.9° | 180.0° |
| C05 | C04 | H9 | H10 | 119.0° | 120.1° |
| C04 | C05 | H11 | H12 | 119.8° | 120.0° |
| C04 | C05 | N06 | H23 | 133.6° | 0.0° |
| C13 | C12 | C11 | H16 | 120.7° | 120.1° |
| C13 | C12 | C11 | H17 | 120.7° | 120.0° |
| C12 | C13 | H1 | H2 | 119.3° | 119.2° |
| C13 | C12 | C11 | H14 | 166.3° | 147.7° |
| C13 | C12 | C11 | H15 | 75.9° | 27.5° |
| C13 | C12 | H16 | H17 | 117.8° | 119.8° |
| C11 | C12 | C13 | H1 | 50.1° | 80.4° |
| C11 | C12 | C13 | H2 | 169.7° | 160.4° |
| C12 | C11 | H14 | H15 | 116.6° | 120.2° |
| C11 | C12 | H16 | H17 | 117.8° | 119.9° |
| C04 | C02 | O01 | O03 | 180.0° | 180.0° |
| C02 | C04 | H9 | H10 | 119.1° | 119.9° |
| C02 | C04 | C05 | H11 | 44.9° | 60.0° |
| C02 | C04 | C05 | H12 | 74.9° | 60.0° |
| C04 | C02 | O03 | H24 | 179.9° | 180.0° |
| O01 | C02 | C04 | H9 | 155.4° | 120.0° |
| O01 | C02 | C04 | H10 | 85.2° | 120.0° |
| O01 | C02 | O03 | H24 | 0.0° | 0.1° |
| O03 | C02 | C04 | H9 | 24.6° | 60.0° |
| O03 | C02 | C04 | H10 | 94.8° | 60.0° |
| H1 | C13 | C12 | H16 | 70.6° | 159.5° |
| H1 | C13 | C12 | H17 | 170.8° | 39.7° |
| H2 | C13 | C12 | H16 | 49.0° | 40.3° |
| H2 | C13 | C12 | H17 | 69.6° | 79.5° |
| H3 | C17 | C16 | H18 | 180.0° | 0.1° |
| H4 | C17 | C16 | H18 | 0.0° | 180.0° |
| H5 | C20 | C19 | H19 | 79.5° | 170.5° |
| H5 | C20 | C19 | H20 | 39.6° | 69.6° |
| H6 | C20 | C19 | H19 | 38.5° | 69.8° |
| H6 | C20 | C19 | H20 | 157.6° | 50.0° |
| H7 | C24 | C25 | H21 | 0.0° | 0.3° |
| H8 | C26 | C25 | H21 | 0.0° | 0.4° |
| H8 | C26 | C27 | H22 | 0.1° | 0.8° |
| H9 | C04 | C05 | H11 | 165.2° | 180.0° |
| H9 | C04 | C05 | H12 | 45.4° | 60.0° |
| H10 | C04 | C05 | H11 | 75.4° | 60.0° |
| H10 | C04 | C05 | H12 | 164.8° | 180.0° |
| H11 | C05 | N06 | H23 | 106.3° | 120.0° |
| H12 | C05 | N06 | H23 | 13.5° | 120.0° |
| H14 | C11 | C12 | H16 | 73.0° | 92.2° |
| H14 | C11 | C12 | H17 | 45.6° | 27.7° |
| H15 | C11 | C12 | H16 | 44.8° | 147.6° |
| H15 | C11 | C12 | H17 | 163.4° | 92.5° |
