CVJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | N23 | doub | 1.32Å | 1.36Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| N23 | C22 | sing | 1.32Å | 1.37Å | Aromatic |
| C25 | C18 | sing | 1.53Å | 1.54Å | |
| C25 | C16 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | C16 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| O17 | C15 | doub | 1.21Å | 1.22Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | N8 | sing | 1.35Å | 1.36Å | |
| N8 | C2 | sing | 1.40Å | 1.43Å | |
| C3 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.55Å | |
| C10 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | N9 | sing | 1.46Å | 1.46Å | |
| N9 | C11 | sing | 1.35Å | 1.35Å | |
| O13 | C11 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C14 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å | |
| C6 | H17 | sing | 1.08Å | 1.08Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| N8 | H19 | sing | 0.97Å | 1.00Å | |
| N9 | H20 | sing | 0.97Å | 1.00Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N23 | C24 | C19 | 119.7° | 120.8° |
| C24 | N23 | C22 | 122.0° | 121.7° |
| N23 | C24 | H13 | 120.1° | 119.6° |
| C24 | C19 | C18 | 119.3° | 120.4° |
| C24 | C19 | C20 | 118.8° | 119.2° |
| C19 | C24 | H13 | 120.1° | 119.6° |
| N23 | C22 | C21 | 120.8° | 120.7° |
| N23 | C22 | H12 | 119.6° | 119.6° |
| C18 | C25 | C16 | 60.2° | 60.0° |
| C25 | C18 | C19 | 121.4° | 117.5° |
| C25 | C18 | C16 | 59.8° | 60.0° |
| C25 | C18 | H9 | 116.5° | 117.5° |
| C18 | C25 | H14 | 120.0° | 117.5° |
| C18 | C25 | H15 | 120.0° | 117.5° |
| C25 | C16 | C18 | 60.0° | 60.0° |
| C25 | C16 | C15 | 119.7° | 117.5° |
| C25 | C16 | H8 | 115.9° | 117.5° |
| C16 | C25 | H14 | 120.0° | 117.6° |
| C16 | C25 | H15 | 120.0° | 117.5° |
| C19 | C18 | C16 | 113.7° | 117.5° |
| C18 | C19 | C20 | 121.8° | 120.4° |
| C19 | C18 | H9 | 116.5° | 115.6° |
| C18 | C16 | C15 | 117.1° | 117.5° |
| C18 | C16 | H8 | 115.8° | 117.5° |
| C16 | C18 | H9 | 116.4° | 117.5° |
| C19 | C20 | C21 | 120.6° | 118.4° |
| C19 | C20 | H10 | 119.7° | 120.8° |
| C22 | C21 | C20 | 117.9° | 119.2° |
| C22 | C21 | H11 | 121.0° | 120.4° |
| C21 | C22 | H12 | 119.6° | 119.6° |
| O17 | C15 | C16 | 119.1° | 120.0° |
| O17 | C15 | N8 | 126.2° | 120.0° |
| C16 | C15 | N8 | 114.7° | 120.0° |
| C15 | C16 | H8 | 116.4° | 115.5° |
| C21 | C20 | H10 | 119.6° | 120.8° |
| C20 | C21 | H11 | 121.0° | 120.4° |
| C15 | N8 | C2 | 128.3° | 120.0° |
| C15 | N8 | H19 | 115.8° | 120.0° |
| N8 | C2 | C3 | 123.5° | 120.1° |
| N8 | C2 | C1 | 118.4° | 120.1° |
| C2 | N8 | H19 | 115.8° | 120.0° |
| C2 | C3 | C4 | 121.2° | 119.9° |
| C3 | C2 | C1 | 117.8° | 119.8° |
| C2 | C3 | H2 | 119.4° | 120.1° |
| C3 | C4 | C5 | 120.7° | 120.1° |
| C4 | C3 | H2 | 119.4° | 120.0° |
| C3 | C4 | H16 | 119.7° | 120.0° |
| C2 | C1 | C6 | 121.2° | 120.0° |
| C2 | C1 | H1 | 119.4° | 120.0° |
| C4 | C5 | C6 | 118.2° | 120.1° |
| C4 | C5 | C7 | 119.6° | 119.9° |
| C5 | C4 | H16 | 119.6° | 119.9° |
| C1 | C6 | C5 | 120.8° | 120.0° |
| C6 | C1 | H1 | 119.4° | 120.0° |
| C1 | C6 | H17 | 119.6° | 120.0° |
| C6 | C5 | C7 | 122.2° | 119.9° |
| C5 | C6 | H17 | 119.6° | 120.0° |
| C5 | C7 | C10 | 110.4° | 109.5° |
| C5 | C7 | N9 | 112.6° | 109.4° |
| C5 | C7 | H18 | 107.7° | 109.5° |
| C10 | C7 | N9 | 109.4° | 109.5° |
| C10 | C7 | H18 | 107.8° | 109.4° |
| C7 | C10 | H21 | 109.5° | 109.4° |
| C7 | C10 | H22 | 109.5° | 109.5° |
| C7 | C10 | H23 | 109.5° | 109.4° |
| C7 | N9 | C11 | 123.1° | 120.0° |
| N9 | C7 | H18 | 108.8° | 109.5° |
| C7 | N9 | H20 | 118.5° | 120.0° |
| N9 | C11 | O13 | 124.2° | 120.0° |
| N9 | C11 | C12 | 117.2° | 120.0° |
| C11 | N9 | H20 | 118.5° | 120.0° |
| O13 | C11 | C12 | 118.4° | 120.0° |
| C11 | C12 | C14 | 116.4° | 109.5° |
| C11 | C12 | H3 | 107.7° | 109.5° |
| C11 | C12 | H4 | 107.7° | 109.5° |
| C14 | C12 | H3 | 107.7° | 109.4° |
| C14 | C12 | H4 | 107.7° | 109.5° |
| C12 | C14 | H5 | 109.5° | 109.5° |
| C12 | C14 | H6 | 109.5° | 109.5° |
| C12 | C14 | H7 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H5 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.4° |
| H14 | C25 | H15 | 109.5° | 115.5° |
| H21 | C10 | H22 | 109.5° | 109.5° |
| H21 | C10 | H23 | 109.4° | 109.5° |
| H22 | C10 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N23 | C24 | C19 | H13 | 180.0° | 179.4° |
| N23 | C24 | C19 | C18 | 177.8° | 179.7° |
| N23 | C24 | C19 | C20 | 1.8° | 0.6° |
| C24 | N23 | C22 | C21 | 0.0° | 0.3° |
| C24 | N23 | C22 | H12 | 180.0° | 179.7° |
| C19 | C24 | N23 | C22 | 0.1° | 0.7° |
| C24 | C19 | C18 | C25 | 103.7° | 8.9° |
| C24 | C19 | C18 | C20 | 175.8° | 179.7° |
| C24 | C19 | C18 | C16 | 171.7° | 59.7° |
| C24 | C19 | C20 | C21 | 3.4° | 0.3° |
| C24 | C19 | C18 | H9 | 48.7° | 154.6° |
| C24 | C19 | C20 | H10 | 176.6° | 179.7° |
| N23 | C22 | C21 | H12 | 180.0° | 180.0° |
| N23 | C22 | C21 | C20 | 1.5° | 0.0° |
| N23 | C22 | C21 | H11 | 178.5° | 179.9° |
| C22 | N23 | C24 | H13 | 179.9° | 180.0° |
| C18 | C25 | C16 | H14 | 109.5° | 107.5° |
| C18 | C25 | C16 | H15 | 109.6° | 107.4° |
| C25 | C18 | C19 | C16 | 68.0° | 68.6° |
| C25 | C18 | C19 | H9 | 152.5° | 145.8° |
| C25 | C18 | C16 | H9 | 106.7° | 107.5° |
| C25 | C18 | C19 | C20 | 80.4° | 171.5° |
| C18 | C25 | C16 | C15 | 106.1° | 107.5° |
| C18 | C25 | C16 | H8 | 106.1° | 107.5° |
| C18 | C25 | H14 | H15 | 144.6° | 145.6° |
| C25 | C16 | C15 | O17 | 28.9° | 68.8° |
| C25 | C16 | C15 | H8 | 147.6° | 145.6° |
| C25 | C16 | C15 | N8 | 150.6° | 111.2° |
| C16 | C25 | H14 | H15 | 144.6° | 145.7° |
| C19 | C18 | C16 | H9 | 139.6° | 145.0° |
| C19 | C18 | C16 | C15 | 136.0° | 145.0° |
| C18 | C19 | C20 | C21 | 179.3° | 180.0° |
| C19 | C18 | C16 | H8 | 7.4° | 0.0° |
| C18 | C19 | C20 | H10 | 0.8° | 0.1° |
| C18 | C19 | C24 | H13 | 2.3° | 0.3° |
| C19 | C18 | C25 | H14 | 149.5° | 0.1° |
| C19 | C18 | C25 | H15 | 8.6° | 145.0° |
| C16 | C18 | C19 | C20 | 12.5° | 120.0° |
| C18 | C16 | C15 | O17 | 40.3° | 0.1° |
| C18 | C16 | C15 | H8 | 143.1° | 145.7° |
| C18 | C16 | C15 | N8 | 140.2° | 179.9° |
| C19 | C20 | C21 | C22 | 3.2° | 0.0° |
| C19 | C20 | C21 | H10 | 180.0° | 180.0° |
| C20 | C19 | C18 | H9 | 127.1° | 25.7° |
| C19 | C20 | C21 | H11 | 176.8° | 179.9° |
| C20 | C19 | C24 | H13 | 178.2° | 180.0° |
| C22 | C21 | C20 | H11 | 180.0° | 179.9° |
| C22 | C21 | C20 | H10 | 176.8° | 180.0° |
| O17 | C15 | C16 | N8 | 179.5° | 180.0° |
| O17 | C15 | N8 | C2 | 3.0° | 4.6° |
| O17 | C15 | C16 | H8 | 176.5° | 145.6° |
| O17 | C15 | N8 | H19 | 177.1° | 175.3° |
| C16 | C15 | N8 | C2 | 177.6° | 175.4° |
| C15 | C16 | C18 | H9 | 3.6° | 0.0° |
| C15 | C16 | C25 | H14 | 3.4° | 145.0° |
| C15 | C16 | C25 | H15 | 144.4° | 0.1° |
| C16 | C15 | N8 | H19 | 2.4° | 4.7° |
| C20 | C21 | C22 | H12 | 178.5° | 180.0° |
| C15 | N8 | C2 | H19 | 180.0° | 179.9° |
| C15 | N8 | C2 | C3 | 12.2° | 35.1° |
| C15 | N8 | C2 | C1 | 162.3° | 144.9° |
| N8 | C15 | C16 | H8 | 3.0° | 34.4° |
| N8 | C2 | C3 | C1 | 174.5° | 180.0° |
| N8 | C2 | C3 | C4 | 176.8° | 180.0° |
| N8 | C2 | C1 | C6 | 175.9° | 180.0° |
| N8 | C2 | C1 | H1 | 4.1° | 0.3° |
| N8 | C2 | C3 | H2 | 3.2° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 2.0° | 0.0° |
| C3 | C2 | C1 | C6 | 1.1° | 0.0° |
| C3 | C2 | C1 | H1 | 178.9° | 179.7° |
| C2 | C3 | C4 | H16 | 178.0° | 179.9° |
| C3 | C2 | N8 | H19 | 167.8° | 144.9° |
| C4 | C3 | C2 | C1 | 2.3° | 0.0° |
| C3 | C4 | C5 | H16 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | C7 | 179.5° | 179.9° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C1 | C2 | C3 | H2 | 177.7° | 180.0° |
| C2 | C1 | C6 | H17 | 179.6° | 179.8° |
| C1 | C2 | N8 | H19 | 17.7° | 35.1° |
| C4 | C5 | C6 | C1 | 0.8° | 0.0° |
| C4 | C5 | C6 | C7 | 179.1° | 179.9° |
| C4 | C5 | C7 | C10 | 63.6° | 100.0° |
| C4 | C5 | C7 | N9 | 173.8° | 140.0° |
| C5 | C4 | C3 | H2 | 178.0° | 180.0° |
| C4 | C5 | C6 | H17 | 179.3° | 179.8° |
| C4 | C5 | C7 | H18 | 53.8° | 20.0° |
| C1 | C6 | C5 | H17 | 180.0° | 179.8° |
| C1 | C6 | C5 | C7 | 178.3° | 180.0° |
| C6 | C5 | C7 | C10 | 117.3° | 80.0° |
| C6 | C5 | C7 | N9 | 5.3° | 40.1° |
| C5 | C6 | C1 | H1 | 179.6° | 179.7° |
| C6 | C5 | C4 | H16 | 179.5° | 179.9° |
| C6 | C5 | C7 | H18 | 125.3° | 160.0° |
| C5 | C7 | C10 | N9 | 124.4° | 120.0° |
| C5 | C7 | C10 | H18 | 117.4° | 120.0° |
| C5 | C7 | N9 | H18 | 119.3° | 120.0° |
| C5 | C7 | N9 | C11 | 107.2° | 155.0° |
| C7 | C5 | C4 | H16 | 0.4° | 0.0° |
| C7 | C5 | C6 | H17 | 1.7° | 0.3° |
| C5 | C7 | N9 | H20 | 72.8° | 25.1° |
| C5 | C7 | C10 | H21 | 180.0° | 60.0° |
| C5 | C7 | C10 | H22 | 60.0° | 60.0° |
| C5 | C7 | C10 | H23 | 60.0° | 180.0° |
| C10 | C7 | N9 | H18 | 117.6° | 120.0° |
| C10 | C7 | N9 | C11 | 129.7° | 84.9° |
| C10 | C7 | N9 | H20 | 50.3° | 95.0° |
| C7 | C10 | H21 | H22 | 120.0° | 120.0° |
| C7 | C10 | H21 | H23 | 120.0° | 120.0° |
| C7 | C10 | H22 | H23 | 120.0° | 120.0° |
| C7 | N9 | C11 | H20 | 180.0° | 179.9° |
| C7 | N9 | C11 | O13 | 4.8° | 0.1° |
| C7 | N9 | C11 | C12 | 179.2° | 179.9° |
| N9 | C7 | C10 | H21 | 55.6° | 60.0° |
| N9 | C7 | C10 | H22 | 64.4° | 180.0° |
| N9 | C7 | C10 | H23 | 175.6° | 60.0° |
| N9 | C11 | O13 | C12 | 176.0° | 180.0° |
| N9 | C11 | C12 | C14 | 61.3° | 180.0° |
| N9 | C11 | C12 | H3 | 59.7° | 60.0° |
| N9 | C11 | C12 | H4 | 177.7° | 60.0° |
| C11 | N9 | C7 | H18 | 12.1° | 35.0° |
| O13 | C11 | C12 | C14 | 122.5° | 0.0° |
| O13 | C11 | C12 | H3 | 116.5° | 120.0° |
| O13 | C11 | C12 | H4 | 1.5° | 120.0° |
| O13 | C11 | N9 | H20 | 175.2° | 180.0° |
| C11 | C12 | C14 | H3 | 121.0° | 120.0° |
| C11 | C12 | C14 | H4 | 121.0° | 120.0° |
| C11 | C12 | H3 | H4 | 116.9° | 120.1° |
| C11 | C12 | C14 | H5 | 180.0° | 60.0° |
| C11 | C12 | C14 | H6 | 60.0° | 60.0° |
| C11 | C12 | C14 | H7 | 60.0° | 180.0° |
| C12 | C11 | N9 | H20 | 0.8° | 0.0° |
| C14 | C12 | H3 | H4 | 116.9° | 120.0° |
| C12 | C14 | H5 | H6 | 120.0° | 120.0° |
| C12 | C14 | H5 | H7 | 120.0° | 120.0° |
| C12 | C14 | H6 | H7 | 120.0° | 120.0° |
| H1 | C1 | C6 | H17 | 0.4° | 0.1° |
| H2 | C3 | C4 | H16 | 2.0° | 0.0° |
| H3 | C12 | C14 | H5 | 59.0° | 180.0° |
| H3 | C12 | C14 | H6 | 179.0° | 60.0° |
| H3 | C12 | C14 | H7 | 61.0° | 60.0° |
| H4 | C12 | C14 | H5 | 59.0° | 60.0° |
| H4 | C12 | C14 | H6 | 61.0° | 179.9° |
| H4 | C12 | C14 | H7 | 179.0° | 60.0° |
| H5 | C14 | H6 | H7 | 120.0° | 120.0° |
| H8 | C16 | C18 | H9 | 147.0° | 145.0° |
| H8 | C16 | C25 | H14 | 144.3° | 0.0° |
| H8 | C16 | C25 | H15 | 3.4° | 145.0° |
| H9 | C18 | C25 | H14 | 3.0° | 145.0° |
| H9 | C18 | C25 | H15 | 143.9° | 0.1° |
| H10 | C20 | C21 | H11 | 3.2° | 0.1° |
| H11 | C21 | C22 | H12 | 1.5° | 0.1° |
| H18 | C7 | N9 | H20 | 167.9° | 145.0° |
| H18 | C7 | C10 | H21 | 62.6° | 180.0° |
| H18 | C7 | C10 | H22 | 177.4° | 60.0° |
| H18 | C7 | C10 | H23 | 57.3° | 60.0° |
| H21 | C10 | H22 | H23 | 119.9° | 120.0° |
