0V0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | O3 | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O3 | C4 | sing | 1.36Å | 1.38Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | O7 | sing | 1.36Å | 1.39Å | |
| C6 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| O7 | C8 | sing | 1.43Å | 1.46Å | |
| C8 | C9 | sing | 1.47Å | 1.45Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | C10 | trip | 1.17Å | 1.19Å | |
| C10 | C11 | sing | 1.43Å | 1.48Å | |
| C11 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
| C11 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C14 | C19 | sing | 1.42Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | N17 | sing | 1.33Å | 1.34Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N17 | C18 | doub | 1.31Å | 1.34Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | N25 | sing | 1.47Å | 1.49Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| N25 | HN25 | sing | 1.01Å | 1.00Å | |
| N25 | HN2A | sing | 1.01Å | 1.00Å | |
| N25 | HN2B | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.4° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | O3 | 108.7° | 109.4° |
| C1 | C2 | H2 | 109.6° | 109.5° |
| C1 | C2 | H2A | 109.7° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| O3 | C2 | H2 | 109.7° | 109.4° |
| O3 | C2 | H2A | 109.7° | 109.5° |
| C2 | O3 | C4 | 119.3° | 117.0° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| O3 | C4 | C5 | 125.9° | 120.1° |
| O3 | C4 | C23 | 114.6° | 120.0° |
| C5 | C4 | C23 | 119.5° | 119.9° |
| C4 | C5 | C6 | 121.2° | 119.9° |
| C4 | C5 | H5 | 119.4° | 120.0° |
| C4 | C23 | C22 | 119.0° | 120.1° |
| C4 | C23 | C24 | 121.3° | 120.0° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| C5 | C6 | O7 | 118.0° | 120.0° |
| C5 | C6 | C21 | 118.9° | 119.9° |
| O7 | C6 | C21 | 123.1° | 120.1° |
| C6 | O7 | C8 | 122.2° | 117.0° |
| C6 | C21 | C22 | 120.4° | 120.1° |
| C6 | C21 | H21 | 119.8° | 120.0° |
| O7 | C8 | C9 | 108.7° | 109.5° |
| O7 | C8 | H8 | 109.7° | 109.5° |
| O7 | C8 | H8A | 109.7° | 109.4° |
| C9 | C8 | H8 | 109.7° | 109.5° |
| C9 | C8 | H8A | 109.6° | 109.5° |
| C8 | C9 | C10 | 179.7° | 180.0° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| C9 | C10 | C11 | 179.9° | 180.0° |
| C10 | C11 | C12 | 119.3° | 119.7° |
| C10 | C11 | C20 | 120.5° | 119.7° |
| C12 | C11 | C20 | 120.2° | 120.6° |
| C11 | C12 | C13 | 120.5° | 120.9° |
| C11 | C12 | H12 | 119.7° | 119.6° |
| C11 | C20 | C19 | 120.6° | 119.3° |
| C11 | C20 | H20 | 119.7° | 120.3° |
| C13 | C12 | H12 | 119.8° | 119.6° |
| C12 | C13 | C14 | 120.1° | 119.8° |
| C12 | C13 | H13 | 119.9° | 120.1° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | C15 | 123.0° | 122.0° |
| C13 | C14 | C19 | 119.3° | 119.9° |
| C15 | C14 | C19 | 117.7° | 118.1° |
| C14 | C15 | C16 | 119.4° | 118.7° |
| C14 | C15 | H15 | 120.3° | 120.6° |
| C14 | C19 | C18 | 118.1° | 118.6° |
| C14 | C19 | C20 | 119.4° | 119.5° |
| C16 | C15 | H15 | 120.3° | 120.6° |
| C15 | C16 | N17 | 123.3° | 121.9° |
| C15 | C16 | H16 | 118.3° | 119.1° |
| N17 | C16 | H16 | 118.3° | 119.0° |
| C16 | N17 | C18 | 118.5° | 122.7° |
| N17 | C18 | C19 | 122.9° | 119.9° |
| N17 | C18 | H18 | 118.5° | 120.0° |
| C19 | C18 | H18 | 118.5° | 120.0° |
| C18 | C19 | C20 | 122.5° | 122.0° |
| C19 | C20 | H20 | 119.7° | 120.4° |
| C22 | C21 | H21 | 119.8° | 120.0° |
| C21 | C22 | C23 | 121.1° | 120.1° |
| C21 | C22 | H22 | 119.5° | 120.0° |
| C23 | C22 | H22 | 119.4° | 119.9° |
| C22 | C23 | C24 | 119.7° | 119.9° |
| C23 | C24 | N25 | 112.5° | 109.4° |
| C23 | C24 | H24 | 108.7° | 109.5° |
| C23 | C24 | H24A | 108.7° | 109.4° |
| N25 | C24 | H24 | 108.7° | 109.5° |
| N25 | C24 | H24A | 108.7° | 109.5° |
| C24 | N25 | HN25 | 109.5° | 109.5° |
| C24 | N25 | HN2A | 109.5° | 109.4° |
| C24 | N25 | HN2B | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| HN25 | N25 | HN2A | 109.5° | 109.5° |
| HN25 | N25 | HN2B | 109.5° | 109.5° |
| HN2A | N25 | HN2B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 119.9° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | O3 | H2 | 119.9° | 120.0° |
| C1 | C2 | O3 | H2A | 119.9° | 120.0° |
| C1 | C2 | H2 | H2A | 120.4° | 120.1° |
| C1 | C2 | O3 | C4 | 177.1° | 180.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.1° |
| H1 | C1 | C2 | O3 | 180.0° | 179.9° |
| H1 | C1 | C2 | H2 | 60.1° | 60.0° |
| H1 | C1 | C2 | H2A | 60.1° | 60.1° |
| H1A | C1 | C2 | O3 | 60.0° | 60.0° |
| H1A | C1 | C2 | H2 | 59.8° | 59.9° |
| H1A | C1 | C2 | H2A | 179.9° | 180.0° |
| H1B | C1 | C2 | O3 | 60.0° | 60.0° |
| H1B | C1 | C2 | H2 | 179.9° | 180.0° |
| H1B | C1 | C2 | H2A | 59.9° | 59.9° |
| O3 | C2 | H2 | H2A | 120.4° | 120.0° |
| C2 | O3 | C4 | C5 | 3.1° | 0.0° |
| C2 | O3 | C4 | C23 | 176.8° | 179.7° |
| H2 | C2 | O3 | C4 | 63.0° | 60.0° |
| H2A | C2 | O3 | C4 | 57.3° | 60.0° |
| O3 | C4 | C5 | C23 | 179.9° | 179.8° |
| O3 | C4 | C5 | C6 | 179.9° | 180.0° |
| O3 | C4 | C5 | H5 | 0.1° | 0.0° |
| O3 | C4 | C23 | C22 | 179.9° | 179.8° |
| O3 | C4 | C23 | C24 | 0.0° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O7 | 180.0° | 180.0° |
| C4 | C5 | C6 | C21 | 0.0° | 0.0° |
| C5 | C4 | C23 | C22 | 0.0° | 0.5° |
| C5 | C4 | C23 | C24 | 179.9° | 179.7° |
| C23 | C4 | C5 | C6 | 0.0° | 0.2° |
| C23 | C4 | C5 | H5 | 180.0° | 179.8° |
| C4 | C23 | C22 | C21 | 0.0° | 0.5° |
| C4 | C23 | C22 | C24 | 180.0° | 179.8° |
| C4 | C23 | C22 | H22 | 180.0° | 179.8° |
| C4 | C23 | C24 | N25 | 72.7° | 80.0° |
| C4 | C23 | C24 | H24 | 47.8° | 159.9° |
| C4 | C23 | C24 | H24A | 166.9° | 40.0° |
| C5 | C6 | O7 | C21 | 180.0° | 180.0° |
| C5 | C6 | O7 | C8 | 174.8° | 180.0° |
| C5 | C6 | C21 | C22 | 0.1° | 0.0° |
| C5 | C6 | C21 | H21 | 179.9° | 180.0° |
| H5 | C5 | C6 | O7 | 0.0° | 0.0° |
| H5 | C5 | C6 | C21 | 180.0° | 180.0° |
| C6 | O7 | C8 | C9 | 176.2° | 180.0° |
| C6 | O7 | C8 | H8 | 56.3° | 60.0° |
| C6 | O7 | C8 | H8A | 63.9° | 60.0° |
| O7 | C6 | C21 | C22 | 180.0° | 180.0° |
| O7 | C6 | C21 | H21 | 0.0° | 0.0° |
| C21 | C6 | O7 | C8 | 5.3° | 0.0° |
| C6 | C21 | C22 | H21 | 180.0° | 180.0° |
| C6 | C21 | C22 | C23 | 0.1° | 0.3° |
| C6 | C21 | C22 | H22 | 179.9° | 180.0° |
| O7 | C8 | C9 | H8 | 119.9° | 120.0° |
| O7 | C8 | C9 | H8A | 119.9° | 120.0° |
| O7 | C8 | H8 | H8A | 120.4° | 120.0° |
| O7 | C8 | C9 | C10 | 119.9° | 111.8° |
| C9 | C8 | H8 | H8A | 120.3° | 120.1° |
| C8 | C9 | C10 | C11 | 38.1° | 57.2° |
| H8 | C8 | C9 | C10 | 0.0° | 128.3° |
| H8A | C8 | C9 | C10 | 120.2° | 8.2° |
| C9 | C10 | C11 | C12 | 29.3° | 11.1° |
| C9 | C10 | C11 | C20 | 150.0° | 168.7° |
| C10 | C11 | C12 | C20 | 179.4° | 179.8° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C12 | H12 | 0.2° | 0.0° |
| C10 | C11 | C20 | C19 | 179.9° | 179.7° |
| C10 | C11 | C20 | H20 | 0.1° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H13 | 179.8° | 180.0° |
| C12 | C11 | C20 | C19 | 0.6° | 0.5° |
| C12 | C11 | C20 | H20 | 179.5° | 179.7° |
| C20 | C11 | C12 | C13 | 0.5° | 0.3° |
| C20 | C11 | C12 | H12 | 179.5° | 179.8° |
| C11 | C20 | C19 | C14 | 0.3° | 0.5° |
| C11 | C20 | C19 | C18 | 179.7° | 179.8° |
| C11 | C20 | C19 | H20 | 180.0° | 179.8° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 179.9° | 179.9° |
| C12 | C13 | C14 | C19 | 0.0° | 0.1° |
| H12 | C12 | C13 | C14 | 179.8° | 179.9° |
| H12 | C12 | C13 | H13 | 0.2° | 0.0° |
| C13 | C14 | C15 | C19 | 179.9° | 179.9° |
| C13 | C14 | C15 | C16 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 0.0° | 0.1° |
| C13 | C14 | C19 | C18 | 180.0° | 179.9° |
| C13 | C14 | C19 | C20 | 0.1° | 0.2° |
| H13 | C13 | C14 | C15 | 0.1° | 0.1° |
| H13 | C13 | C14 | C19 | 180.0° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | N17 | 0.0° | 0.0° |
| C14 | C15 | C16 | H16 | 180.0° | 179.9° |
| C15 | C14 | C19 | C18 | 0.1° | 0.0° |
| C15 | C14 | C19 | C20 | 180.0° | 179.7° |
| C19 | C14 | C15 | C16 | 0.1° | 0.1° |
| C19 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C19 | C18 | N17 | 0.1° | 0.1° |
| C14 | C19 | C18 | C20 | 180.0° | 179.7° |
| C14 | C19 | C18 | H18 | 179.9° | 179.9° |
| C14 | C19 | C20 | H20 | 179.7° | 179.8° |
| C15 | C16 | N17 | H16 | 180.0° | 179.9° |
| C15 | C16 | N17 | C18 | 0.1° | 0.1° |
| H15 | C15 | C16 | N17 | 180.0° | 179.9° |
| H15 | C15 | C16 | H16 | 0.0° | 0.0° |
| C16 | N17 | C18 | C19 | 0.1° | 0.1° |
| C16 | N17 | C18 | H18 | 179.9° | 180.0° |
| H16 | C16 | N17 | C18 | 179.9° | 180.0° |
| N17 | C18 | C19 | H18 | 180.0° | 179.9° |
| N17 | C18 | C19 | C20 | 179.9° | 179.8° |
| C18 | C19 | C20 | H20 | 0.3° | 0.1° |
| H18 | C18 | C19 | C20 | 0.1° | 0.4° |
| C21 | C22 | C23 | H22 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 180.0° | 179.7° |
| H21 | C21 | C22 | C23 | 179.9° | 179.7° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
| C22 | C23 | C24 | N25 | 107.2° | 99.8° |
| C22 | C23 | C24 | H24 | 132.3° | 20.2° |
| C22 | C23 | C24 | H24A | 13.2° | 140.2° |
| H22 | C22 | C23 | C24 | 0.0° | 0.0° |
| C23 | C24 | N25 | H24 | 120.5° | 120.0° |
| C23 | C24 | N25 | H24A | 120.4° | 119.9° |
| C23 | C24 | H24 | H24A | 118.6° | 119.9° |
| C23 | C24 | N25 | HN25 | 180.0° | 180.0° |
| C23 | C24 | N25 | HN2A | 60.0° | 60.0° |
| C23 | C24 | N25 | HN2B | 60.0° | 60.0° |
| N25 | C24 | H24 | H24A | 118.6° | 120.1° |
| C24 | N25 | HN25 | HN2A | 120.0° | 120.0° |
| C24 | N25 | HN25 | HN2B | 120.0° | 120.0° |
| C24 | N25 | HN2A | HN2B | 120.0° | 120.0° |
| H24 | C24 | N25 | HN25 | 59.6° | 60.0° |
| H24 | C24 | N25 | HN2A | 179.6° | 180.0° |
| H24 | C24 | N25 | HN2B | 60.5° | 60.0° |
| H24A | C24 | N25 | HN25 | 59.6° | 60.1° |
| H24A | C24 | N25 | HN2A | 60.5° | 60.0° |
| H24A | C24 | N25 | HN2B | 179.6° | 179.9° |
| HN25 | N25 | HN2A | HN2B | 120.0° | 120.1° |
