EAZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N24 | C19 | sing | 1.47Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | O7 | sing | 1.43Å | 1.44Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | doub | 1.35Å | 1.40Å | Aromatic |
| C10 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| C11 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| O7 | C5 | sing | 1.36Å | 1.40Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N16 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | C13 | sing | 1.47Å | 1.39Å | Aromatic |
| N16 | N15 | sing | 1.40Å | 1.35Å | Aromatic |
| C8 | C1 | sing | 1.48Å | 1.49Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C13 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.51Å | Aromatic |
| N15 | C14 | sing | 1.34Å | 1.28Å | Aromatic |
| C14 | C17 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C21 | C23 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.08Å | 1.08Å | |
| C6 | H19 | sing | 1.08Å | 1.08Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C10 | H21 | sing | 1.08Å | 1.08Å | |
| N15 | H22 | sing | 0.97Å | 1.00Å | |
| N24 | H23 | sing | 1.01Å | 1.00Å | |
| N24 | H24 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N24 | C19 | C18 | 109.2° | 109.5° |
| N24 | C19 | C20 | 108.9° | 109.5° |
| N24 | C19 | H8 | 109.5° | 109.5° |
| C19 | N24 | H23 | 109.5° | 111.0° |
| C19 | N24 | H24 | 109.5° | 111.0° |
| C19 | C18 | O7 | 104.3° | 109.4° |
| C18 | C19 | C20 | 112.0° | 109.5° |
| C19 | C18 | H6 | 110.7° | 109.5° |
| C19 | C18 | H7 | 110.8° | 109.4° |
| C18 | C19 | H8 | 108.6° | 109.4° |
| C18 | O7 | C5 | 125.6° | 117.0° |
| O7 | C18 | H6 | 110.7° | 109.5° |
| O7 | C18 | H7 | 110.7° | 109.5° |
| C19 | C20 | C21 | 114.5° | 109.5° |
| C20 | C19 | H8 | 108.6° | 109.5° |
| C19 | C20 | H9 | 108.2° | 109.4° |
| C19 | C20 | H10 | 108.2° | 109.4° |
| C11 | C10 | C12 | 116.7° | 119.9° |
| C10 | C11 | C8 | 122.0° | 121.7° |
| C10 | C11 | H2 | 119.0° | 119.1° |
| C11 | C10 | H21 | 121.7° | 120.1° |
| C10 | C12 | N16 | 127.9° | 134.4° |
| C10 | C12 | C13 | 121.4° | 118.8° |
| C12 | C10 | H21 | 121.7° | 120.0° |
| C11 | C8 | C1 | 119.7° | 119.3° |
| C11 | C8 | C9 | 120.6° | 121.3° |
| C8 | C11 | H2 | 119.0° | 119.2° |
| O7 | C5 | C6 | 119.7° | 120.4° |
| O7 | C5 | C4 | 121.3° | 120.4° |
| C5 | C6 | C1 | 119.9° | 118.3° |
| C6 | C5 | C4 | 119.0° | 119.2° |
| C5 | C6 | H19 | 120.0° | 120.9° |
| C6 | C1 | C8 | 120.6° | 120.5° |
| C6 | C1 | C2 | 118.5° | 119.0° |
| C1 | C6 | H19 | 120.0° | 120.9° |
| C5 | C4 | N3 | 120.3° | 120.9° |
| C5 | C4 | H18 | 119.8° | 119.6° |
| N16 | C12 | C13 | 110.7° | 106.7° |
| C12 | N16 | N15 | 108.2° | 109.0° |
| C12 | C13 | C9 | 122.7° | 118.9° |
| C12 | C13 | C14 | 101.5° | 106.4° |
| N16 | N15 | C14 | 111.6° | 110.0° |
| N16 | N15 | H22 | 124.2° | 125.0° |
| C1 | C8 | C9 | 119.7° | 119.4° |
| C8 | C1 | C2 | 120.9° | 120.5° |
| C8 | C9 | C13 | 116.5° | 119.4° |
| C8 | C9 | H20 | 121.7° | 120.3° |
| C1 | C2 | N3 | 120.6° | 120.7° |
| C1 | C2 | H1 | 119.7° | 119.6° |
| C4 | N3 | C2 | 121.6° | 121.9° |
| N3 | C4 | H18 | 119.9° | 119.5° |
| N3 | C2 | H1 | 119.7° | 119.7° |
| C9 | C13 | C14 | 135.7° | 134.7° |
| C13 | C9 | H20 | 121.7° | 120.3° |
| C13 | C14 | N15 | 108.0° | 107.8° |
| C13 | C14 | C17 | 126.8° | 126.1° |
| N15 | C14 | C17 | 125.2° | 126.1° |
| C14 | N15 | H22 | 124.2° | 125.0° |
| C14 | C17 | H3 | 109.5° | 109.4° |
| C14 | C17 | H4 | 109.5° | 109.5° |
| C14 | C17 | H5 | 109.5° | 109.5° |
| C20 | C21 | C23 | 111.6° | 109.5° |
| C20 | C21 | C22 | 109.2° | 109.5° |
| C21 | C20 | H9 | 108.2° | 109.5° |
| C21 | C20 | H10 | 108.2° | 109.5° |
| C20 | C21 | H11 | 108.7° | 109.5° |
| C23 | C21 | C22 | 109.8° | 109.4° |
| C23 | C21 | H11 | 108.7° | 109.5° |
| C21 | C23 | H15 | 109.5° | 109.5° |
| C21 | C23 | H16 | 109.5° | 109.5° |
| C21 | C23 | H17 | 109.5° | 109.5° |
| C22 | C21 | H11 | 108.8° | 109.5° |
| C21 | C22 | H12 | 109.5° | 109.5° |
| C21 | C22 | H13 | 109.5° | 109.5° |
| C21 | C22 | H14 | 109.5° | 109.6° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H5 | 109.4° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.4° | 109.4° |
| H12 | C22 | H13 | 109.5° | 109.4° |
| H12 | C22 | H14 | 109.5° | 109.4° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H17 | 109.5° | 109.4° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H23 | N24 | H24 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N24 | C19 | C18 | C20 | 120.7° | 120.0° |
| N24 | C19 | C18 | H8 | 119.4° | 120.0° |
| N24 | C19 | C18 | O7 | 58.2° | 64.9° |
| N24 | C19 | C20 | H8 | 119.2° | 120.0° |
| N24 | C19 | C20 | C21 | 179.3° | 63.2° |
| N24 | C19 | C18 | H6 | 60.9° | 175.0° |
| N24 | C19 | C18 | H7 | 177.4° | 55.0° |
| N24 | C19 | C20 | H9 | 59.9° | 56.9° |
| N24 | C19 | C20 | H10 | 58.5° | 176.8° |
| C19 | N24 | H23 | H24 | 120.0° | 124.0° |
| C19 | C18 | O7 | H6 | 119.1° | 120.0° |
| C19 | C18 | O7 | H7 | 119.2° | 119.9° |
| C18 | C19 | C20 | H8 | 119.9° | 119.9° |
| C19 | C18 | O7 | C5 | 178.5° | 180.0° |
| C18 | C19 | C20 | C21 | 58.4° | 176.7° |
| C19 | C18 | H6 | H7 | 122.5° | 120.0° |
| C18 | C19 | C20 | H9 | 179.2° | 63.2° |
| C18 | C19 | C20 | H10 | 62.3° | 56.7° |
| C18 | C19 | N24 | H23 | 180.0° | 66.0° |
| C18 | C19 | N24 | H24 | 60.0° | 170.1° |
| O7 | C18 | C19 | C20 | 62.5° | 175.0° |
| C18 | O7 | C5 | C6 | 22.4° | 180.0° |
| C18 | O7 | C5 | C4 | 158.4° | 0.0° |
| O7 | C18 | H6 | H7 | 122.4° | 120.0° |
| O7 | C18 | C19 | H8 | 177.6° | 55.0° |
| C19 | C20 | C21 | H9 | 120.8° | 120.0° |
| C19 | C20 | C21 | H10 | 120.8° | 120.0° |
| C19 | C20 | C21 | C23 | 96.1° | 65.9° |
| C19 | C20 | C21 | C22 | 142.3° | 174.2° |
| C20 | C19 | C18 | H6 | 178.4° | 55.0° |
| C20 | C19 | C18 | H7 | 56.7° | 65.0° |
| C19 | C20 | H9 | H10 | 117.7° | 119.9° |
| C19 | C20 | C21 | H11 | 23.8° | 54.1° |
| C20 | C19 | N24 | H23 | 57.4° | 54.1° |
| C20 | C19 | N24 | H24 | 177.5° | 69.9° |
| C11 | C10 | C12 | H21 | 180.0° | 179.9° |
| C10 | C11 | C8 | H2 | 180.0° | 179.7° |
| C11 | C10 | C12 | N16 | 179.8° | 179.5° |
| C11 | C10 | C12 | C13 | 0.2° | 0.6° |
| C10 | C11 | C8 | C1 | 179.7° | 179.7° |
| C10 | C11 | C8 | C9 | 0.7° | 0.4° |
| C12 | C10 | C11 | C8 | 0.6° | 0.0° |
| C10 | C12 | N16 | C13 | 179.9° | 179.0° |
| C10 | C12 | N16 | N15 | 179.8° | 179.0° |
| C10 | C12 | C13 | C9 | 0.1° | 0.8° |
| C10 | C12 | C13 | C14 | 179.9° | 179.2° |
| C12 | C10 | C11 | H2 | 179.3° | 179.7° |
| C11 | C8 | C1 | C6 | 154.1° | 0.3° |
| C11 | C8 | C1 | C9 | 179.6° | 179.9° |
| C11 | C8 | C1 | C2 | 25.9° | 180.0° |
| C11 | C8 | C9 | C13 | 0.4° | 0.1° |
| C11 | C8 | C9 | H20 | 179.6° | 180.0° |
| C8 | C11 | C10 | H21 | 179.4° | 179.9° |
| O7 | C5 | C6 | C4 | 179.2° | 180.0° |
| O7 | C5 | C6 | C1 | 179.9° | 180.0° |
| O7 | C5 | C4 | N3 | 179.9° | 180.0° |
| C5 | O7 | C18 | H6 | 62.4° | 60.0° |
| C5 | O7 | C18 | H7 | 59.3° | 60.0° |
| O7 | C5 | C4 | H18 | 0.1° | 0.0° |
| O7 | C5 | C6 | H19 | 0.1° | 0.1° |
| C5 | C6 | C1 | H19 | 180.0° | 179.9° |
| C5 | C6 | C1 | C8 | 179.8° | 179.8° |
| C5 | C6 | C1 | C2 | 0.2° | 0.1° |
| C6 | C5 | C4 | N3 | 1.0° | 0.0° |
| C6 | C5 | C4 | H18 | 179.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.7° | 0.1° |
| C6 | C1 | C8 | C2 | 180.0° | 179.7° |
| C6 | C1 | C8 | C9 | 26.3° | 179.6° |
| C6 | C1 | C2 | N3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C5 | C4 | N3 | H18 | 180.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C6 | H19 | 179.3° | 179.9° |
| N16 | C12 | C13 | C9 | 179.9° | 180.0° |
| N16 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | N16 | N15 | C14 | 0.4° | 0.0° |
| N16 | C12 | C10 | H21 | 0.2° | 0.6° |
| C12 | N16 | N15 | H22 | 179.6° | 180.0° |
| C13 | C12 | N16 | N15 | 0.2° | 0.0° |
| C12 | C13 | C9 | C8 | 0.0° | 0.5° |
| C12 | C13 | C9 | C14 | 179.8° | 179.9° |
| C12 | C13 | C14 | N15 | 0.3° | 0.0° |
| C12 | C13 | C14 | C17 | 180.0° | 180.0° |
| C12 | C13 | C9 | H20 | 180.0° | 179.4° |
| C13 | C12 | C10 | H21 | 179.7° | 179.5° |
| N16 | N15 | C14 | C13 | 0.5° | 0.0° |
| N16 | N15 | C14 | H22 | 180.0° | 180.0° |
| N16 | N15 | C14 | C17 | 179.9° | 180.0° |
| C8 | C1 | C2 | N3 | 179.9° | 179.7° |
| C1 | C8 | C9 | C13 | 179.9° | 180.0° |
| C8 | C1 | C2 | H1 | 0.1° | 0.3° |
| C1 | C8 | C11 | H2 | 0.3° | 0.0° |
| C8 | C1 | C6 | H19 | 0.2° | 0.4° |
| C1 | C8 | C9 | H20 | 0.1° | 0.1° |
| C9 | C8 | C1 | C2 | 153.7° | 0.0° |
| C8 | C9 | C13 | H20 | 180.0° | 179.9° |
| C8 | C9 | C13 | C14 | 179.8° | 179.6° |
| C9 | C8 | C11 | H2 | 179.3° | 180.0° |
| C1 | C2 | N3 | C4 | 0.2° | 0.0° |
| C1 | C2 | N3 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | H19 | 179.8° | 179.9° |
| C4 | N3 | C2 | H1 | 179.8° | 180.0° |
| C2 | N3 | C4 | H18 | 179.3° | 180.0° |
| C9 | C13 | C14 | N15 | 179.9° | 180.0° |
| C9 | C13 | C14 | C17 | 0.3° | 0.0° |
| C13 | C14 | N15 | C17 | 179.6° | 180.0° |
| C13 | C14 | C17 | H3 | 89.7° | 90.0° |
| C13 | C14 | C17 | H4 | 150.2° | 150.0° |
| C13 | C14 | C17 | H5 | 30.2° | 30.0° |
| C14 | C13 | C9 | H20 | 0.2° | 0.5° |
| C13 | C14 | N15 | H22 | 179.6° | 180.0° |
| N15 | C14 | C17 | H3 | 89.8° | 90.0° |
| N15 | C14 | C17 | H4 | 30.2° | 30.0° |
| N15 | C14 | C17 | H5 | 150.2° | 150.0° |
| C14 | C17 | H3 | H4 | 120.0° | 120.0° |
| C14 | C17 | H3 | H5 | 120.0° | 120.0° |
| C14 | C17 | H4 | H5 | 120.0° | 120.0° |
| C17 | C14 | N15 | H22 | 0.1° | 0.0° |
| C20 | C21 | C23 | C22 | 121.2° | 120.0° |
| C20 | C21 | C23 | H11 | 119.9° | 120.0° |
| C20 | C21 | C22 | H11 | 118.5° | 120.0° |
| C21 | C20 | C19 | H8 | 61.5° | 56.8° |
| C21 | C20 | H9 | H10 | 117.7° | 120.0° |
| C20 | C21 | C22 | H12 | 180.0° | 175.2° |
| C20 | C21 | C22 | H13 | 60.0° | 64.9° |
| C20 | C21 | C22 | H14 | 60.0° | 55.1° |
| C20 | C21 | C23 | H15 | 180.0° | 59.9° |
| C20 | C21 | C23 | H16 | 60.0° | 180.0° |
| C20 | C21 | C23 | H17 | 60.0° | 60.0° |
| C23 | C21 | C22 | H11 | 118.9° | 120.0° |
| C23 | C21 | C20 | H9 | 143.1° | 174.1° |
| C23 | C21 | C20 | H10 | 24.7° | 54.1° |
| C23 | C21 | C22 | H12 | 57.3° | 55.2° |
| C23 | C21 | C22 | H13 | 177.4° | 175.1° |
| C23 | C21 | C22 | H14 | 62.7° | 64.8° |
| C21 | C23 | H15 | H16 | 120.0° | 120.1° |
| C21 | C23 | H15 | H17 | 120.0° | 119.9° |
| C21 | C23 | H16 | H17 | 120.0° | 120.0° |
| C22 | C21 | C20 | H9 | 21.5° | 54.1° |
| C22 | C21 | C20 | H10 | 96.9° | 65.9° |
| C21 | C22 | H12 | H13 | 120.0° | 120.0° |
| C21 | C22 | H12 | H14 | 120.0° | 120.1° |
| C21 | C22 | H13 | H14 | 120.0° | 120.1° |
| C22 | C21 | C23 | H15 | 58.8° | 179.9° |
| C22 | C21 | C23 | H16 | 61.3° | 60.0° |
| C22 | C21 | C23 | H17 | 178.7° | 60.0° |
| H2 | C11 | C10 | H21 | 0.7° | 0.2° |
| H3 | C17 | H4 | H5 | 120.0° | 120.0° |
| H6 | C18 | C19 | H8 | 58.5° | 65.0° |
| H7 | C18 | C19 | H8 | 63.2° | 175.0° |
| H8 | C19 | C20 | H9 | 59.3° | 176.9° |
| H8 | C19 | C20 | H10 | 177.7° | 63.2° |
| H8 | C19 | N24 | H23 | 61.2° | 174.1° |
| H8 | C19 | N24 | H24 | 58.9° | 50.1° |
| H9 | C20 | C21 | H11 | 97.0° | 65.9° |
| H10 | C20 | C21 | H11 | 144.5° | 174.1° |
| H11 | C21 | C22 | H12 | 61.5° | 64.8° |
| H11 | C21 | C22 | H13 | 58.5° | 55.1° |
| H11 | C21 | C22 | H14 | 178.5° | 175.2° |
| H11 | C21 | C23 | H15 | 60.1° | 60.0° |
| H11 | C21 | C23 | H16 | 179.8° | 60.0° |
| H11 | C21 | C23 | H17 | 59.8° | 179.9° |
| H12 | C22 | H13 | H14 | 120.0° | 119.9° |
| H15 | C23 | H16 | H17 | 120.0° | 119.9° |
