D7V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| O1 | C13 | sing | 1.40Å | 1.43Å | |
| O1 | C14 | sing | 1.35Å | 1.38Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.34Å | 1.35Å | |
| C6 | C7 | sing | 1.48Å | 1.50Å | |
| C6 | C15 | sing | 1.48Å | 1.51Å | |
| C7 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 109.2° | 111.0° |
| C1 | N1 | C3 | 109.6° | 111.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H1A | 109.4° | 109.5° |
| N1 | C1 | H1B | 109.5° | 109.4° |
| C2 | N1 | C3 | 110.0° | 111.0° |
| N1 | C2 | H2 | 109.5° | 109.5° |
| N1 | C2 | H2A | 109.5° | 109.5° |
| N1 | C2 | H2B | 109.5° | 109.5° |
| N1 | C3 | C4 | 110.6° | 109.5° |
| N1 | C3 | H3 | 109.1° | 109.5° |
| N1 | C3 | H3A | 109.1° | 109.4° |
| C13 | O1 | C14 | 125.3° | 120.7° |
| O1 | C13 | C12 | 108.6° | 114.8° |
| O1 | C13 | H13 | 109.8° | 108.4° |
| O1 | C13 | H13A | 109.7° | 108.4° |
| O1 | C14 | C15 | 124.8° | 119.9° |
| O1 | C14 | C16 | 115.6° | 120.8° |
| C3 | C4 | C5 | 108.6° | 109.5° |
| C4 | C3 | H3 | 109.1° | 109.5° |
| C4 | C3 | H3A | 109.1° | 109.5° |
| C3 | C4 | H4 | 109.8° | 109.5° |
| C3 | C4 | H4A | 109.8° | 109.4° |
| C4 | C5 | C6 | 125.4° | 120.0° |
| C5 | C4 | H4 | 109.7° | 109.5° |
| C5 | C4 | H4A | 109.7° | 109.5° |
| C4 | C5 | H5 | 117.3° | 120.0° |
| C5 | C6 | C7 | 118.0° | 119.6° |
| C5 | C6 | C15 | 124.8° | 119.6° |
| C6 | C5 | H5 | 117.3° | 120.0° |
| C7 | C6 | C15 | 117.3° | 120.9° |
| C6 | C7 | C8 | 121.1° | 116.3° |
| C6 | C7 | C12 | 118.4° | 123.8° |
| C6 | C15 | C14 | 122.1° | 116.9° |
| C6 | C15 | C19 | 118.7° | 122.0° |
| C8 | C7 | C12 | 120.6° | 119.9° |
| C7 | C8 | C9 | 119.5° | 120.8° |
| C7 | C8 | H8 | 120.3° | 119.6° |
| C7 | C12 | C11 | 120.3° | 118.6° |
| C7 | C12 | C13 | 118.3° | 126.4° |
| C8 | C9 | C10 | 119.9° | 119.4° |
| C9 | C8 | H8 | 120.2° | 119.6° |
| C8 | C9 | H9 | 120.1° | 120.3° |
| C9 | C10 | C11 | 120.2° | 120.1° |
| C10 | C9 | H9 | 120.0° | 120.3° |
| C9 | C10 | H10 | 119.9° | 120.0° |
| C10 | C11 | C12 | 119.5° | 121.3° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C10 | C11 | H11 | 120.2° | 119.4° |
| C11 | C12 | C13 | 121.4° | 115.0° |
| C12 | C11 | H11 | 120.3° | 119.3° |
| C12 | C13 | H13 | 109.8° | 108.5° |
| C12 | C13 | H13A | 109.8° | 108.4° |
| C15 | C14 | C16 | 119.6° | 119.3° |
| C14 | C15 | C19 | 119.0° | 121.1° |
| C14 | C16 | C17 | 120.9° | 119.7° |
| C14 | C16 | H16 | 119.5° | 120.2° |
| C15 | C19 | C18 | 120.9° | 119.1° |
| C15 | C19 | H19 | 119.6° | 120.4° |
| C16 | C17 | C18 | 119.4° | 120.8° |
| C17 | C16 | H16 | 119.5° | 120.1° |
| C16 | C17 | H17 | 120.3° | 119.6° |
| C17 | C18 | C19 | 120.1° | 120.1° |
| C18 | C17 | H17 | 120.3° | 119.6° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C19 | C18 | H18 | 120.0° | 119.9° |
| C18 | C19 | H19 | 119.6° | 120.5° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H2 | C2 | H2A | 109.4° | 109.5° |
| H2 | C2 | H2B | 109.5° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.9° | 109.4° |
| H4 | C4 | H4A | 109.2° | 109.4° |
| H13 | C13 | H13A | 109.2° | 108.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | C3 | 120.3° | 124.0° |
| C1 | N1 | C3 | C4 | 116.3° | 66.0° |
| N1 | C1 | H1 | H1A | 120.0° | 120.0° |
| N1 | C1 | H1 | H1B | 120.0° | 120.0° |
| N1 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | N1 | C2 | H2 | 180.0° | 64.0° |
| C1 | N1 | C2 | H2A | 60.0° | 176.0° |
| C1 | N1 | C2 | H2B | 60.0° | 56.1° |
| C1 | N1 | C3 | H3 | 123.7° | 173.9° |
| C1 | N1 | C3 | H3A | 3.6° | 54.0° |
| C2 | N1 | C3 | C4 | 123.6° | 170.0° |
| C2 | N1 | C1 | H1 | 180.0° | 60.0° |
| C2 | N1 | C1 | H1A | 60.0° | 180.0° |
| C2 | N1 | C1 | H1B | 60.0° | 60.0° |
| N1 | C2 | H2 | H2A | 120.0° | 120.0° |
| N1 | C2 | H2 | H2B | 120.0° | 120.0° |
| N1 | C2 | H2A | H2B | 120.0° | 120.0° |
| C2 | N1 | C3 | H3 | 3.6° | 50.0° |
| C2 | N1 | C3 | H3A | 116.5° | 70.0° |
| N1 | C3 | C4 | H3 | 120.0° | 120.1° |
| N1 | C3 | C4 | H3A | 120.0° | 120.0° |
| N1 | C3 | C4 | C5 | 120.7° | 180.0° |
| C3 | N1 | C1 | H1 | 59.4° | 176.0° |
| C3 | N1 | C1 | H1A | 60.6° | 56.0° |
| C3 | N1 | C1 | H1B | 179.4° | 64.0° |
| C3 | N1 | C2 | H2 | 59.7° | 60.0° |
| C3 | N1 | C2 | H2A | 179.7° | 60.0° |
| C3 | N1 | C2 | H2B | 60.3° | 180.0° |
| N1 | C3 | H3 | H3A | 119.5° | 120.0° |
| N1 | C3 | C4 | H4 | 119.3° | 59.9° |
| N1 | C3 | C4 | H4A | 0.7° | 60.0° |
| O1 | C13 | C12 | C7 | 71.1° | 11.9° |
| O1 | C13 | C12 | C11 | 107.9° | 168.4° |
| O1 | C13 | C12 | H13 | 120.0° | 121.5° |
| O1 | C13 | C12 | H13A | 120.0° | 121.3° |
| C13 | O1 | C14 | C15 | 12.4° | 73.0° |
| C13 | O1 | C14 | C16 | 167.6° | 106.5° |
| O1 | C13 | H13 | H13A | 120.3° | 117.3° |
| O1 | C14 | C15 | C6 | 2.5° | 2.3° |
| C14 | O1 | C13 | C12 | 69.3° | 70.0° |
| O1 | C14 | C15 | C16 | 179.9° | 179.5° |
| O1 | C14 | C15 | C19 | 177.7° | 178.0° |
| O1 | C14 | C16 | C17 | 179.3° | 178.6° |
| C14 | O1 | C13 | H13 | 170.7° | 51.5° |
| C14 | O1 | C13 | H13A | 50.7° | 168.7° |
| O1 | C14 | C16 | H16 | 0.7° | 1.5° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 99.1° | 125.0° |
| C4 | C3 | H3 | H3A | 119.6° | 120.0° |
| C3 | C4 | H4 | H4A | 120.4° | 119.9° |
| C3 | C4 | C5 | H5 | 80.9° | 54.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 179.4° | 180.0° |
| C4 | C5 | C6 | C15 | 0.8° | 0.0° |
| C5 | C4 | C3 | H3 | 0.7° | 60.0° |
| C5 | C4 | C3 | H3A | 119.3° | 60.0° |
| C5 | C4 | H4 | H4A | 120.3° | 120.0° |
| C5 | C6 | C7 | C15 | 179.8° | 179.9° |
| C5 | C6 | C7 | C8 | 64.9° | 42.7° |
| C5 | C6 | C7 | C12 | 115.8° | 137.3° |
| C5 | C6 | C15 | C14 | 134.2° | 120.8° |
| C5 | C6 | C15 | C19 | 50.6° | 58.9° |
| C6 | C5 | C4 | H4 | 20.9° | 4.9° |
| C6 | C5 | C4 | H4A | 140.9° | 115.0° |
| C6 | C7 | C8 | C12 | 179.3° | 180.0° |
| C6 | C7 | C8 | C9 | 179.1° | 179.8° |
| C6 | C7 | C12 | C11 | 179.1° | 179.7° |
| C6 | C7 | C12 | C13 | 0.0° | 0.6° |
| C7 | C6 | C15 | C14 | 45.6° | 59.3° |
| C7 | C6 | C15 | C19 | 129.5° | 121.1° |
| C7 | C6 | C5 | H5 | 0.6° | 0.0° |
| C6 | C7 | C8 | H8 | 0.9° | 0.2° |
| C15 | C6 | C7 | C8 | 115.3° | 137.2° |
| C15 | C6 | C7 | C12 | 64.0° | 42.8° |
| C6 | C15 | C14 | C19 | 175.2° | 179.7° |
| C6 | C15 | C14 | C16 | 177.4° | 178.2° |
| C6 | C15 | C19 | C18 | 178.3° | 178.7° |
| C15 | C6 | C5 | H5 | 179.3° | 179.9° |
| C6 | C15 | C19 | H19 | 1.7° | 1.3° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | C12 | C11 | 0.3° | 0.3° |
| C8 | C7 | C12 | C13 | 179.3° | 179.4° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| C12 | C7 | C8 | C9 | 0.2° | 0.2° |
| C7 | C12 | C11 | C10 | 0.0° | 0.2° |
| C7 | C12 | C11 | C13 | 179.0° | 179.7° |
| C12 | C7 | C8 | H8 | 179.8° | 179.8° |
| C7 | C12 | C11 | H11 | 180.0° | 179.8° |
| C7 | C12 | C13 | H13 | 168.9° | 109.5° |
| C7 | C12 | C13 | H13A | 48.9° | 133.3° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.1° |
| C8 | C9 | C10 | H10 | 179.6° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.3° | 0.1° |
| C10 | C9 | C8 | H8 | 179.9° | 180.0° |
| C9 | C10 | C11 | H11 | 179.7° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.0° | 179.5° |
| C11 | C10 | C9 | H9 | 179.6° | 180.0° |
| C12 | C11 | C10 | H10 | 179.7° | 180.0° |
| C11 | C12 | C13 | H13 | 12.1° | 70.2° |
| C11 | C12 | C13 | H13A | 132.1° | 47.1° |
| C13 | C12 | C11 | H11 | 1.0° | 0.5° |
| C12 | C13 | H13 | H13A | 120.4° | 117.4° |
| C15 | C14 | C16 | C17 | 0.7° | 1.0° |
| C14 | C15 | C19 | C18 | 2.9° | 1.0° |
| C15 | C14 | C16 | H16 | 179.3° | 178.9° |
| C14 | C15 | C19 | H19 | 177.0° | 179.0° |
| C16 | C14 | C15 | C19 | 2.2° | 1.5° |
| C14 | C16 | C17 | H16 | 180.0° | 179.9° |
| C14 | C16 | C17 | C18 | 0.2° | 0.1° |
| C14 | C16 | C17 | H17 | 179.8° | 179.9° |
| C15 | C19 | C18 | C17 | 2.1° | 0.1° |
| C15 | C19 | C18 | H19 | 180.0° | 180.0° |
| C15 | C19 | C18 | H18 | 177.8° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.5° | 0.6° |
| C16 | C17 | C18 | H18 | 179.4° | 179.4° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C18 | C17 | C16 | H16 | 179.8° | 180.0° |
| C17 | C18 | C19 | H19 | 177.9° | 179.9° |
| C19 | C18 | C17 | H17 | 179.5° | 179.4° |
| H1 | C1 | H1A | H1B | 119.9° | 120.0° |
| H2 | C2 | H2A | H2B | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 120.7° | NaN° |
| H3 | C3 | C4 | H4A | 119.3° | 60.1° |
| H3A | C3 | C4 | H4 | 0.6° | 60.1° |
| H3A | C3 | C4 | H4A | 120.7° | 180.0° |
| H4 | C4 | C5 | H5 | 159.2° | 175.0° |
| H4A | C4 | C5 | H5 | 39.2° | 65.1° |
| H8 | C8 | C9 | H9 | 0.2° | 0.0° |
| H9 | C9 | C10 | H10 | 0.4° | 0.1° |
| H10 | C10 | C11 | H11 | 0.3° | 0.0° |
| H16 | C16 | C17 | H17 | 0.2° | 0.0° |
| H17 | C17 | C18 | H18 | 0.6° | 0.5° |
| H18 | C18 | C19 | H19 | 2.2° | 0.0° |
