H7X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | O15 | sing | 1.43Å | 1.40Å | |
| C21 | N22 | sing | 1.47Å | 1.47Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| O29 | C27 | doub | 1.22Å | 1.26Å | |
| O15 | C13 | sing | 1.36Å | 1.40Å | |
| N22 | C23 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.39Å | 1.35Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.36Å | Aromatic |
| C27 | O28 | sing | 1.35Å | 1.27Å | |
| C27 | C11 | sing | 1.47Å | 1.54Å | |
| C13 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.47Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C09 | doub | 1.42Å | 1.32Å | Aromatic |
| C10 | N07 | sing | 1.33Å | 1.34Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C19 | sing | 1.53Å | 1.53Å | |
| C09 | C16 | sing | 1.41Å | 1.26Å | Aromatic |
| N07 | C04 | doub | 1.33Å | 1.43Å | Aromatic |
| C19 | S17 | sing | 1.81Å | 1.83Å | |
| C16 | S17 | sing | 1.76Å | 1.84Å | |
| C16 | C05 | doub | 1.41Å | 1.36Å | Aromatic |
| C04 | C05 | sing | 1.42Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.41Å | 1.43Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.27Å | Aromatic |
| C03 | C02 | doub | 1.36Å | 1.52Å | Aromatic |
| C06 | C01 | doub | 1.37Å | 1.33Å | Aromatic |
| C02 | C01 | sing | 1.40Å | 1.48Å | Aromatic |
| C01 | O14 | sing | 1.36Å | 1.39Å | |
| O14 | C26 | sing | 1.43Å | 1.37Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.08Å | 1.08Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| N22 | H23 | sing | 1.01Å | 1.00Å | |
| O28 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | O15 | C13 | 113.9° | 117.0° |
| O15 | C18 | H15 | 109.5° | 109.5° |
| O15 | C18 | H16 | 109.5° | 109.4° |
| O15 | C18 | H17 | 109.5° | 109.4° |
| N22 | C21 | C20 | 111.7° | 109.5° |
| C21 | N22 | C23 | 114.5° | 111.2° |
| N22 | C21 | H3 | 108.9° | 109.5° |
| N22 | C21 | H4 | 108.9° | 109.4° |
| C21 | N22 | H23 | 108.2° | 111.0° |
| C21 | C20 | C25 | 105.9° | 109.3° |
| C21 | C20 | H1 | 110.3° | 109.4° |
| C21 | C20 | H2 | 110.3° | 109.5° |
| C20 | C21 | H3 | 108.9° | 109.5° |
| C20 | C21 | H4 | 108.9° | 109.4° |
| O29 | C27 | O28 | 118.6° | 120.0° |
| O29 | C27 | C11 | 118.7° | 120.0° |
| O15 | C13 | C12 | 119.2° | 119.3° |
| O15 | C13 | C08 | 120.8° | 119.2° |
| N22 | C23 | C24 | 112.4° | 109.6° |
| N22 | C23 | H20 | 108.7° | 109.5° |
| N22 | C23 | H21 | 108.7° | 109.5° |
| C23 | N22 | H23 | 108.2° | 110.9° |
| C13 | C12 | C11 | 120.7° | 120.7° |
| C12 | C13 | C08 | 120.0° | 121.4° |
| C13 | C12 | H14 | 119.6° | 119.6° |
| C12 | C11 | C27 | 118.0° | 120.5° |
| C12 | C11 | C10 | 119.1° | 118.9° |
| C11 | C12 | H14 | 119.7° | 119.7° |
| O28 | C27 | C11 | 122.6° | 120.0° |
| C27 | O28 | H25 | 109.5° | 116.9° |
| C27 | C11 | C10 | 123.0° | 120.5° |
| C13 | C08 | C09 | 119.6° | 120.6° |
| C13 | C08 | H13 | 120.2° | 119.7° |
| C20 | C25 | C24 | 108.8° | 109.2° |
| C20 | C25 | C19 | 112.5° | 109.5° |
| C25 | C20 | H1 | 110.4° | 109.5° |
| C25 | C20 | H2 | 110.3° | 109.5° |
| C20 | C25 | H22 | 107.0° | 109.5° |
| C11 | C10 | C09 | 120.8° | 118.5° |
| C11 | C10 | N07 | 116.6° | 120.5° |
| C23 | C24 | C25 | 105.9° | 109.3° |
| C23 | C24 | H5 | 110.4° | 109.5° |
| C23 | C24 | H6 | 110.4° | 109.5° |
| C24 | C23 | H20 | 108.7° | 109.4° |
| C24 | C23 | H21 | 108.7° | 109.4° |
| C08 | C09 | C10 | 119.8° | 119.8° |
| C08 | C09 | C16 | 119.5° | 120.9° |
| C09 | C08 | H13 | 120.2° | 119.7° |
| C09 | C10 | N07 | 122.6° | 121.0° |
| C10 | C09 | C16 | 120.7° | 119.3° |
| C10 | N07 | C04 | 118.0° | 121.9° |
| C24 | C25 | C19 | 114.3° | 109.5° |
| C25 | C24 | H5 | 110.3° | 109.5° |
| C25 | C24 | H6 | 110.3° | 109.5° |
| C24 | C25 | H22 | 106.9° | 109.5° |
| C25 | C19 | S17 | 105.2° | 109.5° |
| C25 | C19 | H18 | 110.5° | 109.5° |
| C25 | C19 | H19 | 110.5° | 109.4° |
| C19 | C25 | H22 | 106.9° | 109.6° |
| C09 | C16 | S17 | 118.8° | 121.1° |
| C09 | C16 | C05 | 122.9° | 117.8° |
| N07 | C04 | C05 | 116.1° | 120.7° |
| N07 | C04 | C03 | 128.7° | 120.3° |
| C19 | S17 | C16 | 111.6° | 100.0° |
| S17 | C19 | H18 | 110.5° | 109.5° |
| S17 | C19 | H19 | 110.5° | 109.5° |
| S17 | C16 | C05 | 118.3° | 121.1° |
| C16 | C05 | C04 | 119.6° | 119.4° |
| C16 | C05 | C06 | 120.7° | 120.9° |
| C05 | C04 | C03 | 115.2° | 118.9° |
| C04 | C05 | C06 | 119.7° | 119.7° |
| C04 | C03 | C02 | 124.5° | 119.9° |
| C04 | C03 | H11 | 117.7° | 120.0° |
| C05 | C06 | C01 | 133.2° | 119.7° |
| C05 | C06 | H12 | 113.4° | 120.2° |
| C03 | C02 | C01 | 111.3° | 121.1° |
| C03 | C02 | H10 | 124.3° | 119.4° |
| C02 | C03 | H11 | 117.7° | 120.0° |
| C06 | C01 | C02 | 116.1° | 120.7° |
| C06 | C01 | O14 | 120.0° | 119.7° |
| C01 | C06 | H12 | 113.4° | 120.1° |
| C02 | C01 | O14 | 123.8° | 119.6° |
| C01 | C02 | H10 | 124.3° | 119.5° |
| C01 | O14 | C26 | 114.7° | 117.0° |
| O14 | C26 | H7 | 109.5° | 109.5° |
| O14 | C26 | H8 | 109.4° | 109.5° |
| O14 | C26 | H9 | 109.4° | 109.4° |
| H1 | C20 | H2 | 109.5° | 109.5° |
| H3 | C21 | H4 | 109.4° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.6° |
| H7 | C26 | H8 | 109.5° | 109.5° |
| H7 | C26 | H9 | 109.5° | 109.5° |
| H8 | C26 | H9 | 109.5° | 109.4° |
| H15 | C18 | H16 | 109.4° | 109.5° |
| H15 | C18 | H17 | 109.4° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | O15 | C13 | C12 | 10.9° | 0.4° |
| C18 | O15 | C13 | C08 | 169.9° | 180.0° |
| O15 | C18 | H15 | H16 | 120.0° | 120.0° |
| O15 | C18 | H15 | H17 | 120.0° | 119.9° |
| O15 | C18 | H16 | H17 | 120.0° | 119.9° |
| N22 | C21 | C20 | H3 | 120.4° | 120.0° |
| N22 | C21 | C20 | H4 | 120.4° | 120.0° |
| C21 | N22 | C23 | H23 | 120.7° | 124.1° |
| N22 | C21 | C20 | C25 | 58.1° | 59.2° |
| C21 | N22 | C23 | C24 | 51.0° | 61.7° |
| N22 | C21 | C20 | H1 | 177.5° | 179.1° |
| N22 | C21 | C20 | H2 | 61.3° | 60.8° |
| N22 | C21 | H3 | H4 | 118.9° | 119.9° |
| C21 | N22 | C23 | H20 | 171.5° | 58.3° |
| C21 | N22 | C23 | H21 | 69.4° | 178.2° |
| C20 | C21 | N22 | C23 | 51.8° | 61.7° |
| C21 | C20 | C25 | H1 | 119.4° | 119.9° |
| C21 | C20 | C25 | H2 | 119.4° | 120.0° |
| C21 | C20 | C25 | C24 | 66.6° | 57.7° |
| C21 | C20 | C25 | C19 | 165.7° | 177.6° |
| C21 | C20 | H1 | H2 | 121.6° | 120.1° |
| C20 | C21 | H3 | H4 | 119.0° | 120.0° |
| C21 | C20 | C25 | H22 | 48.6° | 62.3° |
| C20 | C21 | N22 | H23 | 68.9° | 62.4° |
| O29 | C27 | C11 | C12 | 20.8° | 180.0° |
| O29 | C27 | O28 | C11 | 178.7° | 180.0° |
| O29 | C27 | C11 | C10 | 159.1° | 0.0° |
| O29 | C27 | O28 | H25 | 0.0° | 0.0° |
| O15 | C13 | C12 | C08 | 179.2° | 179.6° |
| O15 | C13 | C12 | C11 | 179.3° | 179.8° |
| O15 | C13 | C08 | C09 | 179.4° | 180.0° |
| O15 | C13 | C08 | H13 | 0.6° | 0.4° |
| O15 | C13 | C12 | H14 | 0.7° | 0.4° |
| C13 | O15 | C18 | H15 | 180.0° | 180.0° |
| C13 | O15 | C18 | H16 | 60.0° | 59.9° |
| C13 | O15 | C18 | H17 | 60.0° | 60.0° |
| N22 | C23 | C24 | H20 | 120.4° | 120.0° |
| N22 | C23 | C24 | H21 | 120.4° | 120.1° |
| N22 | C23 | C24 | C25 | 56.2° | 59.1° |
| C23 | N22 | C21 | H3 | 68.6° | 178.2° |
| C23 | N22 | C21 | H4 | 172.1° | 58.3° |
| N22 | C23 | C24 | H5 | 63.3° | 60.7° |
| N22 | C23 | C24 | H6 | 175.6° | 179.1° |
| N22 | C23 | H20 | H21 | 118.7° | 120.0° |
| C13 | C12 | C11 | H14 | 180.0° | 179.8° |
| C13 | C12 | C11 | C27 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C13 | C08 | C09 | 0.2° | 0.4° |
| C12 | C13 | C08 | H13 | 179.8° | 180.0° |
| C12 | C11 | C27 | O28 | 157.9° | 0.0° |
| C12 | C11 | C27 | C10 | 179.9° | 180.0° |
| C11 | C12 | C13 | C08 | 0.0° | 0.2° |
| C12 | C11 | C10 | C09 | 0.4° | 0.0° |
| C12 | C11 | C10 | N07 | 179.5° | 179.7° |
| O28 | C27 | C11 | C10 | 22.2° | 180.0° |
| C27 | C11 | C10 | C09 | 179.7° | 180.0° |
| C27 | C11 | C10 | N07 | 0.6° | 0.3° |
| C27 | C11 | C12 | H14 | 0.1° | 0.3° |
| C11 | C27 | O28 | H25 | 178.7° | 180.0° |
| C13 | C08 | C09 | H13 | 180.0° | 179.6° |
| C13 | C08 | C09 | C10 | 0.5° | 0.4° |
| C13 | C08 | C09 | C16 | 178.9° | 179.5° |
| C08 | C13 | C12 | H14 | 179.9° | 180.0° |
| C20 | C25 | C24 | C23 | 65.5° | 57.6° |
| C20 | C25 | C24 | C19 | 126.6° | 119.9° |
| C20 | C25 | C24 | H22 | 115.3° | 119.9° |
| C20 | C25 | C19 | H22 | 117.2° | 120.1° |
| C20 | C25 | C19 | S17 | 121.7° | 175.0° |
| C25 | C20 | H1 | H2 | 121.7° | 120.1° |
| C25 | C20 | C21 | H3 | 62.3° | 179.2° |
| C25 | C20 | C21 | H4 | 178.5° | 60.8° |
| C20 | C25 | C24 | H5 | 53.9° | 62.2° |
| C20 | C25 | C24 | H6 | 175.1° | 177.6° |
| C20 | C25 | C19 | H18 | 2.4° | 55.0° |
| C20 | C25 | C19 | H19 | 119.0° | 65.0° |
| C11 | C10 | C09 | C08 | 0.6° | 0.2° |
| C11 | C10 | C09 | N07 | 179.0° | 179.7° |
| C11 | C10 | C09 | C16 | 178.9° | 179.7° |
| C11 | C10 | N07 | C04 | 178.4° | 179.7° |
| C10 | C11 | C12 | H14 | 179.9° | 179.8° |
| C23 | C24 | C25 | H5 | 119.4° | 119.9° |
| C23 | C24 | C25 | H6 | 119.4° | 120.0° |
| C23 | C24 | C25 | C19 | 167.8° | 177.5° |
| C23 | C24 | H5 | H6 | 121.7° | 120.1° |
| C24 | C23 | H20 | H21 | 118.7° | 119.9° |
| C23 | C24 | C25 | H22 | 49.7° | 62.3° |
| C24 | C23 | N22 | H23 | 69.7° | 62.4° |
| C08 | C09 | C10 | C16 | 179.4° | 180.0° |
| C08 | C09 | C10 | N07 | 179.6° | 179.9° |
| C08 | C09 | C16 | S17 | 1.4° | 0.0° |
| C08 | C09 | C16 | C05 | 179.0° | 180.0° |
| C09 | C10 | N07 | C04 | 0.7° | 0.0° |
| C10 | C09 | C16 | S17 | 179.2° | 180.0° |
| C10 | C09 | C16 | C05 | 0.4° | 0.0° |
| C10 | C09 | C08 | H13 | 179.5° | 179.9° |
| N07 | C10 | C09 | C16 | 0.2° | 0.0° |
| C10 | N07 | C04 | C05 | 0.6° | 0.0° |
| C10 | N07 | C04 | C03 | 179.3° | 180.0° |
| C24 | C25 | C19 | H22 | 118.1° | 120.2° |
| C24 | C25 | C19 | S17 | 113.6° | 65.3° |
| C24 | C25 | C20 | H1 | 174.0° | 177.6° |
| C24 | C25 | C20 | H2 | 52.8° | 62.3° |
| C25 | C24 | H5 | H6 | 121.6° | 120.1° |
| C24 | C25 | C19 | H18 | 127.1° | 174.7° |
| C24 | C25 | C19 | H19 | 5.7° | 54.7° |
| C25 | C24 | C23 | H20 | 176.6° | 60.9° |
| C25 | C24 | C23 | H21 | 64.3° | 179.2° |
| C25 | C19 | S17 | H18 | 119.3° | 120.0° |
| C25 | C19 | S17 | H19 | 119.3° | 120.0° |
| C25 | C19 | S17 | C16 | 116.6° | 180.0° |
| C19 | C25 | C20 | H1 | 46.3° | 62.5° |
| C19 | C25 | C20 | H2 | 74.9° | 57.6° |
| C19 | C25 | C24 | H5 | 72.7° | 57.7° |
| C19 | C25 | C24 | H6 | 48.4° | 62.5° |
| C25 | C19 | H18 | H19 | 122.0° | 120.0° |
| C09 | C16 | S17 | C19 | 102.2° | 90.0° |
| C09 | C16 | S17 | C05 | 179.6° | 180.0° |
| C09 | C16 | C05 | C04 | 0.4° | 0.0° |
| C09 | C16 | C05 | C06 | 178.9° | 179.9° |
| C16 | C09 | C08 | H13 | 1.0° | 0.1° |
| N07 | C04 | C05 | C16 | 0.1° | 0.1° |
| N07 | C04 | C05 | C03 | 178.9° | 179.9° |
| N07 | C04 | C05 | C06 | 178.4° | 179.9° |
| N07 | C04 | C03 | C02 | 178.3° | 179.9° |
| N07 | C04 | C03 | H11 | 1.7° | 0.1° |
| C19 | S17 | C16 | C05 | 78.1° | 90.0° |
| S17 | C19 | H18 | H19 | 122.0° | 120.0° |
| S17 | C19 | C25 | H22 | 4.5° | 54.9° |
| S17 | C16 | C05 | C04 | 179.2° | 179.9° |
| S17 | C16 | C05 | C06 | 0.7° | 0.1° |
| C16 | S17 | C19 | H18 | 2.7° | 60.0° |
| C16 | S17 | C19 | H19 | 124.1° | 60.0° |
| C16 | C05 | C04 | C06 | 178.5° | 180.0° |
| C16 | C05 | C04 | C03 | 179.0° | 180.0° |
| C16 | C05 | C06 | C01 | 178.9° | 180.0° |
| C16 | C05 | C06 | H12 | 1.1° | 0.1° |
| C05 | C04 | C03 | C02 | 0.4° | 0.0° |
| C04 | C05 | C06 | C01 | 0.3° | 0.0° |
| C05 | C04 | C03 | H11 | 179.6° | 180.0° |
| C04 | C05 | C06 | H12 | 179.6° | 179.9° |
| C03 | C04 | C05 | C06 | 0.4° | 0.0° |
| C04 | C03 | C02 | H11 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.2° | 0.0° |
| C04 | C03 | C02 | H10 | 179.8° | 180.0° |
| C05 | C06 | C01 | H12 | 180.0° | 179.9° |
| C05 | C06 | C01 | C02 | 0.1° | 0.0° |
| C05 | C06 | C01 | O14 | 178.2° | 180.0° |
| C03 | C02 | C01 | C06 | 0.1° | 0.0° |
| C03 | C02 | C01 | H10 | 180.0° | 180.0° |
| C03 | C02 | C01 | O14 | 178.2° | 180.0° |
| C06 | C01 | C02 | O14 | 178.3° | 180.0° |
| C06 | C01 | O14 | C26 | 145.5° | 180.0° |
| C06 | C01 | C02 | H10 | 180.0° | 180.0° |
| C02 | C01 | O14 | C26 | 36.3° | 0.0° |
| C01 | C02 | C03 | H11 | 179.8° | 180.0° |
| C02 | C01 | C06 | H12 | 179.9° | 179.9° |
| C01 | O14 | C26 | H7 | 180.0° | 60.0° |
| C01 | O14 | C26 | H8 | 60.0° | 60.0° |
| C01 | O14 | C26 | H9 | 60.0° | 180.0° |
| O14 | C01 | C02 | H10 | 1.8° | 0.0° |
| O14 | C01 | C06 | H12 | 1.8° | 0.1° |
| O14 | C26 | H7 | H8 | 120.0° | 120.0° |
| O14 | C26 | H7 | H9 | 120.0° | 120.0° |
| O14 | C26 | H8 | H9 | 120.0° | 119.9° |
| H1 | C20 | C21 | H3 | 57.2° | 60.8° |
| H1 | C20 | C21 | H4 | 62.1° | 59.1° |
| H1 | C20 | C25 | H22 | 70.9° | 57.6° |
| H2 | C20 | C21 | H3 | 178.3° | 59.2° |
| H2 | C20 | C21 | H4 | 59.0° | 179.2° |
| H2 | C20 | C25 | H22 | 168.0° | 177.8° |
| H3 | C21 | N22 | H23 | 170.7° | 57.7° |
| H4 | C21 | N22 | H23 | 51.4° | 177.7° |
| H5 | C24 | C23 | H20 | 57.2° | 179.2° |
| H5 | C24 | C23 | H21 | 176.3° | 59.4° |
| H5 | C24 | C25 | H22 | 169.2° | 177.8° |
| H6 | C24 | C23 | H20 | 64.0° | 59.1° |
| H6 | C24 | C23 | H21 | 55.2° | 60.8° |
| H6 | C24 | C25 | H22 | 69.7° | 57.7° |
| H7 | C26 | H8 | H9 | 120.0° | 120.0° |
| H10 | C02 | C03 | H11 | 0.2° | 0.0° |
| H15 | C18 | H16 | H17 | 120.0° | 120.1° |
| H18 | C19 | C25 | H22 | 114.8° | 65.2° |
| H19 | C19 | C25 | H22 | 123.8° | 174.9° |
| H20 | C23 | N22 | H23 | 50.7° | 177.6° |
| H21 | C23 | N22 | H23 | 169.9° | 57.6° |
