HZ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C21 | N7 | sing | 1.47Å | 1.50Å | |
| C22 | N7 | sing | 1.47Å | 1.49Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| N7 | C20 | sing | 1.47Å | 1.48Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C23 | C18 | sing | 1.53Å | 1.51Å | |
| C2 | N | sing | 1.47Å | 1.45Å | |
| N | C3 | sing | 1.38Å | 1.38Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | N6 | sing | 1.46Å | 1.48Å | |
| C3 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C3 | C10 | sing | 1.42Å | 1.47Å | Aromatic |
| N1 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.37Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.42Å | 1.47Å | Aromatic |
| N6 | C4 | sing | 1.38Å | 1.37Å | |
| N6 | C17 | sing | 1.47Å | 1.44Å | |
| C4 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C5 | sing | 1.34Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.36Å | 1.41Å | Aromatic |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| C7 | H19 | sing | 1.08Å | 1.08Å | |
| C8 | H20 | sing | 1.08Å | 1.08Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 108.4° | 109.4° |
| C | C1 | H13 | 109.8° | 109.4° |
| C | C1 | H14 | 109.7° | 109.4° |
| C1 | C | H22 | 109.5° | 109.4° |
| C1 | C | H23 | 109.5° | 109.4° |
| C1 | C | H24 | 109.4° | 109.5° |
| C21 | N7 | C22 | 111.4° | 111.0° |
| C21 | N7 | C20 | 103.0° | 111.0° |
| N7 | C21 | H1 | 109.5° | 109.5° |
| N7 | C21 | H2 | 109.5° | 109.5° |
| N7 | C21 | H3 | 109.4° | 109.5° |
| N7 | C22 | C23 | 109.1° | 109.5° |
| C22 | N7 | C20 | 113.9° | 111.2° |
| N7 | C22 | H4 | 109.6° | 109.5° |
| N7 | C22 | H5 | 109.6° | 109.5° |
| C22 | C23 | C18 | 106.5° | 109.3° |
| C23 | C22 | H4 | 109.5° | 109.4° |
| C23 | C22 | H5 | 109.6° | 109.5° |
| C22 | C23 | H6 | 110.2° | 109.5° |
| C22 | C23 | H7 | 110.2° | 109.5° |
| N7 | C20 | C19 | 112.5° | 109.5° |
| N7 | C20 | H27 | 108.7° | 109.5° |
| N7 | C20 | H28 | 108.7° | 109.4° |
| C1 | N | C2 | 119.7° | 111.0° |
| C1 | N | C3 | 118.3° | 111.0° |
| N | C1 | H13 | 109.7° | 109.5° |
| N | C1 | H14 | 109.7° | 109.4° |
| C23 | C18 | C19 | 106.0° | 109.1° |
| C23 | C18 | N6 | 103.1° | 109.5° |
| C18 | C23 | H6 | 110.2° | 109.5° |
| C18 | C23 | H7 | 110.2° | 109.5° |
| C23 | C18 | H25 | 112.4° | 109.5° |
| C2 | N | C3 | 122.0° | 111.0° |
| N | C2 | H15 | 109.5° | 109.5° |
| N | C2 | H16 | 109.5° | 109.4° |
| N | C2 | H17 | 109.5° | 109.5° |
| N | C3 | N1 | 117.6° | 120.9° |
| N | C3 | C10 | 123.5° | 120.8° |
| C20 | C19 | C18 | 111.0° | 109.3° |
| C20 | C19 | H11 | 109.1° | 109.5° |
| C20 | C19 | H12 | 109.1° | 109.6° |
| C19 | C20 | H27 | 108.7° | 109.5° |
| C19 | C20 | H28 | 108.7° | 109.5° |
| C19 | C18 | N6 | 109.7° | 109.5° |
| C18 | C19 | H11 | 109.1° | 109.5° |
| C18 | C19 | H12 | 109.1° | 109.5° |
| C19 | C18 | H25 | 112.1° | 109.5° |
| C18 | N6 | C4 | 114.4° | 120.0° |
| C18 | N6 | C17 | 123.5° | 120.0° |
| N6 | C18 | H25 | 113.0° | 109.6° |
| N1 | C3 | C10 | 118.9° | 118.3° |
| C3 | N1 | C4 | 121.6° | 121.5° |
| C3 | C10 | C9 | 123.8° | 122.0° |
| C3 | C10 | C5 | 116.5° | 118.3° |
| N1 | C4 | N6 | 116.7° | 118.6° |
| N1 | C4 | N2 | 123.6° | 122.8° |
| C10 | C9 | C8 | 119.3° | 119.5° |
| C9 | C10 | C5 | 119.7° | 119.7° |
| C10 | C9 | H21 | 120.4° | 120.2° |
| C9 | C8 | C7 | 121.7° | 120.9° |
| C9 | C8 | H20 | 119.1° | 119.5° |
| C8 | C9 | H21 | 120.3° | 120.2° |
| C10 | C5 | N2 | 119.4° | 118.8° |
| C10 | C5 | C6 | 119.0° | 119.3° |
| C4 | N6 | C17 | 122.0° | 120.0° |
| N6 | C4 | N2 | 119.7° | 118.6° |
| N6 | C17 | H8 | 109.5° | 109.4° |
| N6 | C17 | H9 | 109.5° | 109.5° |
| N6 | C17 | H10 | 109.5° | 109.4° |
| C4 | N2 | C5 | 120.0° | 120.4° |
| C8 | C7 | C6 | 121.1° | 121.1° |
| C8 | C7 | H19 | 119.5° | 119.5° |
| C7 | C8 | H20 | 119.1° | 119.6° |
| N2 | C5 | C6 | 121.5° | 121.9° |
| C5 | C6 | C7 | 119.2° | 119.6° |
| C5 | C6 | H18 | 120.4° | 120.2° |
| C7 | C6 | H18 | 120.4° | 120.3° |
| C6 | C7 | H19 | 119.5° | 119.5° |
| H1 | C21 | H2 | 109.5° | 109.5° |
| H1 | C21 | H3 | 109.5° | 109.4° |
| H2 | C21 | H3 | 109.4° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.4° |
| H6 | C23 | H7 | 109.5° | 109.6° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H8 | C17 | H10 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.4° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H15 | C2 | H16 | 109.4° | 109.5° |
| H15 | C2 | H17 | 109.5° | 109.5° |
| H16 | C2 | H17 | 109.4° | 109.5° |
| H22 | C | H23 | 109.5° | 109.5° |
| H22 | C | H24 | 109.5° | 109.5° |
| H23 | C | H24 | 109.4° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H13 | 119.9° | 120.0° |
| C | C1 | N | H14 | 119.8° | 119.9° |
| C | C1 | N | C2 | 99.5° | 170.0° |
| C | C1 | N | C3 | 78.3° | 66.1° |
| C | C1 | H13 | H14 | 120.5° | 120.0° |
| C1 | C | H22 | H23 | 120.0° | 119.9° |
| C1 | C | H22 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C21 | N7 | C22 | C20 | 115.9° | 124.1° |
| C21 | N7 | C22 | C23 | 170.1° | 174.2° |
| C21 | N7 | C20 | C19 | 168.6° | 174.2° |
| N7 | C21 | H1 | H2 | 120.0° | 120.0° |
| N7 | C21 | H1 | H3 | 120.0° | 120.0° |
| N7 | C21 | H2 | H3 | 119.9° | 120.0° |
| C21 | N7 | C22 | H4 | 50.2° | 54.2° |
| C21 | N7 | C22 | H5 | 69.9° | 65.8° |
| C21 | N7 | C20 | H27 | 71.0° | 65.8° |
| C21 | N7 | C20 | H28 | 48.1° | 54.2° |
| N7 | C22 | C23 | H4 | 120.0° | 120.0° |
| N7 | C22 | C23 | H5 | 120.0° | 120.1° |
| N7 | C22 | C23 | C18 | 64.5° | 59.2° |
| C22 | N7 | C20 | C19 | 47.9° | 61.8° |
| C22 | N7 | C21 | H1 | 180.0° | 59.9° |
| C22 | N7 | C21 | H2 | 60.0° | 180.0° |
| C22 | N7 | C21 | H3 | 60.0° | 60.0° |
| N7 | C22 | H4 | H5 | 120.2° | 120.0° |
| N7 | C22 | C23 | H6 | 175.9° | 179.1° |
| N7 | C22 | C23 | H7 | 55.0° | 60.7° |
| C22 | N7 | C20 | H27 | 168.3° | 58.3° |
| C22 | N7 | C20 | H28 | 72.6° | 178.2° |
| C23 | C22 | N7 | C20 | 54.2° | 61.8° |
| C22 | C23 | C18 | H6 | 119.5° | 119.9° |
| C22 | C23 | C18 | H7 | 119.5° | 119.9° |
| C22 | C23 | C18 | C19 | 67.9° | 57.7° |
| C22 | C23 | C18 | N6 | 176.8° | 177.6° |
| C23 | C22 | H4 | H5 | 120.2° | 120.0° |
| C22 | C23 | H6 | H7 | 121.4° | 120.1° |
| C22 | C23 | C18 | H25 | 54.9° | 62.2° |
| N7 | C20 | C19 | H27 | 120.4° | 120.0° |
| N7 | C20 | C19 | H28 | 120.4° | 120.0° |
| N7 | C20 | C19 | C18 | 51.5° | 59.2° |
| C20 | N7 | C21 | H1 | 57.5° | 64.2° |
| C20 | N7 | C21 | H2 | 177.6° | 55.8° |
| C20 | N7 | C21 | H3 | 62.5° | 175.8° |
| C20 | N7 | C22 | H4 | 65.7° | 178.3° |
| C20 | N7 | C22 | H5 | 174.1° | 58.3° |
| N7 | C20 | C19 | H11 | 68.7° | 179.1° |
| N7 | C20 | C19 | H12 | 171.8° | 60.8° |
| N7 | C20 | H27 | H28 | 118.6° | 119.9° |
| C1 | N | C2 | C3 | 177.7° | 123.9° |
| C1 | N | C3 | N1 | 6.3° | 58.4° |
| C1 | N | C3 | C10 | 176.7° | 121.6° |
| N | C1 | H13 | H14 | 120.5° | 120.0° |
| C1 | N | C2 | H15 | 180.0° | 56.2° |
| C1 | N | C2 | H16 | 60.0° | 176.2° |
| C1 | N | C2 | H17 | 60.0° | 63.8° |
| N | C1 | C | H22 | 180.0° | 180.0° |
| N | C1 | C | H23 | 60.0° | 60.0° |
| N | C1 | C | H24 | 60.0° | 60.0° |
| C23 | C18 | C19 | C20 | 62.3° | 57.7° |
| C23 | C18 | C19 | N6 | 110.6° | 119.9° |
| C23 | C18 | C19 | H25 | 123.0° | 119.9° |
| C23 | C18 | N6 | H25 | 121.6° | 120.2° |
| C23 | C18 | N6 | C4 | 120.7° | 120.0° |
| C23 | C18 | N6 | C17 | 55.2° | 60.0° |
| C18 | C23 | C22 | H4 | 55.4° | 179.2° |
| C18 | C23 | C22 | H5 | 175.5° | 60.9° |
| C18 | C23 | H6 | H7 | 121.4° | 120.1° |
| C23 | C18 | C19 | H11 | 58.0° | 177.6° |
| C23 | C18 | C19 | H12 | 177.5° | 62.3° |
| C2 | N | C3 | N1 | 171.5° | 65.5° |
| C2 | N | C3 | C10 | 5.6° | 114.5° |
| C2 | N | C1 | H13 | 140.6° | 70.0° |
| C2 | N | C1 | H14 | 20.3° | 50.1° |
| N | C2 | H15 | H16 | 120.0° | 120.0° |
| N | C2 | H15 | H17 | 120.0° | 120.0° |
| N | C2 | H16 | H17 | 120.0° | 120.0° |
| N | C3 | N1 | C10 | 177.2° | 180.0° |
| N | C3 | N1 | C4 | 176.5° | 180.0° |
| N | C3 | C10 | C9 | 1.5° | 0.0° |
| N | C3 | C10 | C5 | 178.7° | 180.0° |
| C3 | N | C1 | H13 | 41.6° | 53.9° |
| C3 | N | C1 | H14 | 161.9° | 174.0° |
| C3 | N | C2 | H15 | 2.3° | 67.7° |
| C3 | N | C2 | H16 | 122.3° | 52.3° |
| C3 | N | C2 | H17 | 117.7° | 172.3° |
| C20 | C19 | C18 | H11 | 120.3° | 119.9° |
| C20 | C19 | C18 | H12 | 120.2° | 120.0° |
| C20 | C19 | C18 | N6 | 172.9° | 177.6° |
| C20 | C19 | H11 | H12 | 119.2° | 120.1° |
| C20 | C19 | C18 | H25 | 60.7° | 62.2° |
| C19 | C20 | H27 | H28 | 118.6° | 120.0° |
| C19 | C18 | N6 | H25 | 125.8° | 120.1° |
| C19 | C18 | N6 | C4 | 126.7° | 120.3° |
| C19 | C18 | N6 | C17 | 57.4° | 59.7° |
| C19 | C18 | C23 | H6 | 172.6° | 177.6° |
| C19 | C18 | C23 | H7 | 51.6° | 62.3° |
| C18 | C19 | H11 | H12 | 119.3° | 120.1° |
| C18 | C19 | C20 | H27 | 172.0° | 60.8° |
| C18 | C19 | C20 | H28 | 68.9° | 179.2° |
| C18 | N6 | C4 | N1 | 5.1° | 180.0° |
| C18 | N6 | C4 | C17 | 176.0° | 180.0° |
| C18 | N6 | C4 | N2 | 176.1° | 0.0° |
| N6 | C18 | C23 | H6 | 57.3° | 62.5° |
| N6 | C18 | C23 | H7 | 63.7° | 57.6° |
| C18 | N6 | C17 | H8 | 180.0° | 90.0° |
| C18 | N6 | C17 | H9 | 60.0° | 30.0° |
| C18 | N6 | C17 | H10 | 60.0° | 150.1° |
| N6 | C18 | C19 | H11 | 52.7° | 62.5° |
| N6 | C18 | C19 | H12 | 66.9° | 57.6° |
| N1 | C3 | C10 | C9 | 178.5° | 180.0° |
| N1 | C3 | C10 | C5 | 1.7° | 0.0° |
| C3 | N1 | C4 | N6 | 179.1° | 180.0° |
| C3 | N1 | C4 | N2 | 2.1° | 0.1° |
| C10 | C3 | N1 | C4 | 0.7° | 0.0° |
| C3 | C10 | C9 | C5 | 179.8° | 180.0° |
| C3 | C10 | C9 | C8 | 178.9° | 180.0° |
| C3 | C10 | C5 | N2 | 2.9° | 0.0° |
| C3 | C10 | C5 | C6 | 178.4° | 180.0° |
| C3 | C10 | C9 | H21 | 1.1° | 0.0° |
| N1 | C4 | N6 | N2 | 178.8° | 180.0° |
| N1 | C4 | N6 | C17 | 178.9° | 0.0° |
| N1 | C4 | N2 | C5 | 0.8° | 0.0° |
| C10 | C9 | C8 | H21 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.8° | 0.0° |
| C9 | C10 | C5 | N2 | 177.3° | 180.0° |
| C9 | C10 | C5 | C6 | 1.8° | 0.0° |
| C10 | C9 | C8 | H20 | 179.3° | 180.0° |
| C8 | C9 | C10 | C5 | 1.4° | 0.0° |
| C9 | C8 | C7 | H20 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.5° | 0.0° |
| C9 | C8 | C7 | H19 | 179.4° | 180.0° |
| C10 | C5 | N2 | C4 | 1.7° | 0.0° |
| C10 | C5 | N2 | C6 | 175.4° | 180.0° |
| C10 | C5 | C6 | C7 | 1.5° | 0.0° |
| C10 | C5 | C6 | H18 | 178.4° | 180.0° |
| C5 | C10 | C9 | H21 | 178.7° | 180.0° |
| N6 | C4 | N2 | C5 | 179.6° | 180.0° |
| C4 | N6 | C17 | H8 | 4.4° | 90.0° |
| C4 | N6 | C17 | H9 | 115.6° | 150.0° |
| C4 | N6 | C17 | H10 | 124.4° | 30.0° |
| C4 | N6 | C18 | H25 | 0.9° | 0.2° |
| C17 | N6 | C4 | N2 | 0.1° | 180.0° |
| N6 | C17 | H8 | H9 | 120.0° | 120.0° |
| N6 | C17 | H8 | H10 | 120.0° | 119.9° |
| N6 | C17 | H9 | H10 | 120.0° | 120.0° |
| C17 | N6 | C18 | H25 | 176.8° | 179.8° |
| C4 | N2 | C5 | C6 | 177.2° | 180.0° |
| C8 | C7 | C6 | C5 | 0.9° | 0.0° |
| C8 | C7 | C6 | H19 | 180.0° | 180.0° |
| C8 | C7 | C6 | H18 | 179.0° | 180.0° |
| C7 | C8 | C9 | H21 | 179.3° | 180.0° |
| N2 | C5 | C6 | C7 | 177.0° | 180.0° |
| N2 | C5 | C6 | H18 | 3.0° | 0.0° |
| C5 | C6 | C7 | H18 | 180.0° | 180.0° |
| C5 | C6 | C7 | H19 | 179.0° | 180.0° |
| C6 | C7 | C8 | H20 | 179.5° | 180.0° |
| H1 | C21 | H2 | H3 | 120.0° | 119.9° |
| H4 | C22 | C23 | H6 | 64.1° | 60.9° |
| H4 | C22 | C23 | H7 | 174.9° | 59.3° |
| H5 | C22 | C23 | H6 | 56.0° | 59.1° |
| H5 | C22 | C23 | H7 | 65.0° | 179.2° |
| H6 | C23 | C18 | H25 | 64.6° | 57.7° |
| H7 | C23 | C18 | H25 | 174.4° | 177.9° |
| H8 | C17 | H9 | H10 | 120.0° | 120.0° |
| H11 | C19 | C18 | H25 | 179.0° | 57.7° |
| H11 | C19 | C20 | H27 | 51.7° | 59.1° |
| H11 | C19 | C20 | H28 | 170.8° | 60.9° |
| H12 | C19 | C18 | H25 | 59.5° | 177.8° |
| H12 | C19 | C20 | H27 | 67.8° | 179.2° |
| H12 | C19 | C20 | H28 | 51.3° | 59.2° |
| H13 | C1 | C | H22 | 60.1° | 60.0° |
| H13 | C1 | C | H23 | 59.9° | 180.0° |
| H13 | C1 | C | H24 | 179.8° | 60.0° |
| H14 | C1 | C | H22 | 60.2° | 60.0° |
| H14 | C1 | C | H23 | 179.8° | 59.9° |
| H14 | C1 | C | H24 | 59.9° | 179.9° |
| H15 | C2 | H16 | H17 | 120.0° | 120.0° |
| H18 | C6 | C7 | H19 | 1.0° | 0.0° |
| H19 | C7 | C8 | H20 | 0.5° | 0.0° |
| H20 | C8 | C9 | H21 | 0.7° | 0.0° |
| H22 | C | H23 | H24 | 120.0° | 120.1° |
