N43
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C12 | doub | 1.22Å | 1.23Å | |
| C12 | N1 | sing | 1.34Å | 1.37Å | |
| C12 | C11 | sing | 1.41Å | 1.42Å | |
| N1 | C13 | sing | 1.38Å | 1.39Å | |
| C11 | C10 | doub | 1.37Å | 1.36Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C19 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.48Å | 1.49Å | |
| C19 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | N | sing | 1.35Å | 1.33Å | |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| N | C8 | sing | 1.47Å | 1.45Å | |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | O4 | sing | 1.36Å | 1.37Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| O4 | C18 | sing | 1.43Å | 1.43Å | |
| C7 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C6 | sing | 1.36Å | 1.37Å | |
| C6 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.37Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N | H15 | sing | 0.97Å | 1.00Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C12 | N1 | 120.2° | 119.2° |
| O3 | C12 | C11 | 123.7° | 119.1° |
| N1 | C12 | C11 | 115.9° | 121.7° |
| C12 | N1 | C13 | 124.4° | 121.2° |
| C12 | N1 | H1 | 117.8° | 119.4° |
| C12 | C11 | C10 | 123.9° | 120.0° |
| C12 | C11 | H9 | 118.0° | 120.1° |
| N1 | C13 | C14 | 120.2° | 120.8° |
| N1 | C13 | C19 | 119.1° | 119.7° |
| C13 | N1 | H1 | 117.8° | 119.4° |
| C11 | C10 | C19 | 118.5° | 118.4° |
| C11 | C10 | C9 | 117.9° | 120.8° |
| C10 | C11 | H9 | 118.0° | 119.9° |
| C14 | C13 | C19 | 120.7° | 119.5° |
| C13 | C14 | C15 | 119.8° | 120.0° |
| C13 | C14 | H14 | 120.1° | 120.0° |
| C13 | C19 | C10 | 117.8° | 119.0° |
| C13 | C19 | C17 | 118.0° | 119.9° |
| C14 | C15 | C16 | 120.7° | 120.8° |
| C14 | C15 | H8 | 119.6° | 119.6° |
| C15 | C14 | H14 | 120.1° | 120.0° |
| C19 | C10 | C9 | 123.4° | 120.8° |
| C10 | C19 | C17 | 124.1° | 121.1° |
| C10 | C9 | O2 | 121.2° | 120.0° |
| C10 | C9 | N | 116.4° | 120.0° |
| C19 | C17 | C16 | 120.5° | 119.5° |
| C19 | C17 | O4 | 115.5° | 120.3° |
| O2 | C9 | N | 122.4° | 120.1° |
| C9 | N | C8 | 122.4° | 120.0° |
| C9 | N | H15 | 118.7° | 120.1° |
| C15 | C16 | C17 | 120.1° | 120.3° |
| C16 | C15 | H8 | 119.6° | 119.6° |
| C15 | C16 | H13 | 120.0° | 119.8° |
| N | C8 | C7 | 112.1° | 109.5° |
| N | C8 | H6 | 108.8° | 109.5° |
| N | C8 | H7 | 108.8° | 109.4° |
| C8 | N | H15 | 118.8° | 120.0° |
| C16 | C17 | O4 | 124.0° | 120.2° |
| C17 | C16 | H13 | 120.0° | 119.8° |
| C17 | O4 | C18 | 118.1° | 117.0° |
| C4 | C5 | C6 | 119.6° | 120.0° |
| C5 | C4 | C3 | 120.6° | 120.2° |
| C5 | C4 | H2 | 119.7° | 119.9° |
| C4 | C5 | H3 | 120.2° | 120.0° |
| C5 | C6 | O1 | 124.6° | 120.1° |
| C5 | C6 | C1 | 119.9° | 119.8° |
| C6 | C5 | H3 | 120.2° | 120.0° |
| C4 | C3 | C2 | 120.5° | 120.1° |
| C3 | C4 | H2 | 119.7° | 119.9° |
| C4 | C3 | H19 | 119.7° | 119.9° |
| C8 | C7 | O1 | 107.8° | 109.4° |
| C8 | C7 | H4 | 109.9° | 109.5° |
| C8 | C7 | H5 | 109.9° | 109.5° |
| C7 | C8 | H6 | 108.8° | 109.5° |
| C7 | C8 | H7 | 108.8° | 109.5° |
| O4 | C18 | H10 | 109.5° | 109.4° |
| O4 | C18 | H11 | 109.5° | 109.4° |
| O4 | C18 | H12 | 109.5° | 109.5° |
| C7 | O1 | C6 | 118.7° | 117.0° |
| O1 | C7 | H4 | 109.9° | 109.5° |
| O1 | C7 | H5 | 109.9° | 109.4° |
| O1 | C6 | C1 | 115.5° | 120.1° |
| C6 | C1 | C2 | 119.8° | 119.9° |
| C6 | C1 | O | 115.1° | 120.1° |
| C3 | C2 | C1 | 119.6° | 120.0° |
| C2 | C3 | H19 | 119.7° | 120.0° |
| C3 | C2 | H20 | 120.2° | 120.0° |
| C2 | C1 | O | 125.0° | 120.0° |
| C1 | C2 | H20 | 120.2° | 120.0° |
| C1 | O | C | 118.0° | 117.0° |
| O | C | H16 | 109.5° | 109.5° |
| O | C | H17 | 109.4° | 109.5° |
| O | C | H18 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.4° | 109.4° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H10 | C18 | H12 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.4° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C12 | N1 | C11 | 174.7° | 180.0° |
| O3 | C12 | N1 | C13 | 170.2° | 180.0° |
| O3 | C12 | C11 | C10 | 170.7° | 180.0° |
| O3 | C12 | N1 | H1 | 9.8° | 0.3° |
| O3 | C12 | C11 | H9 | 9.3° | 0.0° |
| C12 | N1 | C13 | H1 | 180.0° | 179.7° |
| N1 | C12 | C11 | C10 | 3.8° | 0.0° |
| C12 | N1 | C13 | C14 | 176.7° | 179.7° |
| C12 | N1 | C13 | C19 | 0.5° | 0.3° |
| N1 | C12 | C11 | H9 | 176.2° | 180.0° |
| C11 | C12 | N1 | C13 | 4.5° | 0.0° |
| C12 | C11 | C10 | H9 | 180.0° | 180.0° |
| C12 | C11 | C10 | C19 | 0.8° | 0.3° |
| C12 | C11 | C10 | C9 | 174.7° | 179.7° |
| C11 | C12 | N1 | H1 | 175.5° | 179.7° |
| N1 | C13 | C14 | C19 | 177.2° | 180.0° |
| N1 | C13 | C14 | C15 | 175.5° | 180.0° |
| N1 | C13 | C19 | C10 | 4.3° | 0.5° |
| N1 | C13 | C19 | C17 | 173.8° | 180.0° |
| N1 | C13 | C14 | H14 | 4.5° | 0.0° |
| C11 | C10 | C19 | C13 | 4.9° | 0.5° |
| C11 | C10 | C19 | C9 | 175.2° | 179.5° |
| C11 | C10 | C19 | C17 | 173.1° | 180.0° |
| C11 | C10 | C9 | O2 | 103.5° | 99.7° |
| C11 | C10 | C9 | N | 78.3° | 80.3° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C14 | C13 | C19 | C10 | 178.5° | 179.5° |
| C14 | C13 | C19 | C17 | 3.4° | 0.0° |
| C13 | C14 | C15 | C16 | 0.9° | 0.0° |
| C14 | C13 | N1 | H1 | 3.3° | 0.0° |
| C13 | C14 | C15 | H8 | 179.1° | 180.0° |
| C19 | C13 | C14 | C15 | 1.6° | 0.0° |
| C13 | C19 | C10 | C17 | 177.9° | 179.4° |
| C13 | C19 | C10 | C9 | 170.4° | 180.0° |
| C13 | C19 | C17 | C16 | 2.8° | 0.1° |
| C13 | C19 | C17 | O4 | 175.8° | 179.9° |
| C19 | C13 | N1 | H1 | 179.5° | 180.0° |
| C19 | C13 | C14 | H14 | 178.4° | 180.0° |
| C14 | C15 | C16 | H8 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.5° | 0.1° |
| C14 | C15 | C16 | H13 | 178.5° | 180.0° |
| C19 | C10 | C9 | O2 | 71.7° | 80.9° |
| C19 | C10 | C9 | N | 106.5° | 99.1° |
| C10 | C19 | C17 | C16 | 179.3° | 179.5° |
| C10 | C19 | C17 | O4 | 2.1° | 0.6° |
| C19 | C10 | C11 | H9 | 179.2° | 179.7° |
| C9 | C10 | C19 | C17 | 11.7° | 0.5° |
| C10 | C9 | O2 | N | 178.1° | 180.0° |
| C10 | C9 | N | C8 | 168.8° | 175.4° |
| C9 | C10 | C11 | H9 | 5.3° | 0.2° |
| C10 | C9 | N | H15 | 11.2° | 4.5° |
| C19 | C17 | C16 | C15 | 0.4° | 0.1° |
| C19 | C17 | C16 | O4 | 178.4° | 179.9° |
| C19 | C17 | O4 | C18 | 178.4° | 175.0° |
| C19 | C17 | C16 | H13 | 179.6° | 180.0° |
| O2 | C9 | N | C8 | 9.3° | 4.6° |
| O2 | C9 | N | H15 | 170.7° | 175.5° |
| C9 | N | C8 | H15 | 180.0° | 179.9° |
| C9 | N | C8 | C7 | 158.8° | 175.1° |
| C9 | N | C8 | H6 | 80.7° | 64.8° |
| C9 | N | C8 | H7 | 38.4° | 55.1° |
| C15 | C16 | C17 | H13 | 180.0° | 180.0° |
| C15 | C16 | C17 | O4 | 178.1° | 180.0° |
| C16 | C15 | C14 | H14 | 179.1° | 179.9° |
| N | C8 | C7 | H6 | 120.4° | 120.1° |
| N | C8 | C7 | H7 | 120.4° | 120.0° |
| N | C8 | C7 | O1 | 44.1° | 65.0° |
| N | C8 | C7 | H4 | 163.8° | 175.0° |
| N | C8 | C7 | H5 | 75.7° | 54.9° |
| N | C8 | H6 | H7 | 118.8° | 119.9° |
| C16 | C17 | O4 | C18 | 3.1° | 5.1° |
| C17 | C16 | C15 | H8 | 178.5° | 179.9° |
| C17 | O4 | C18 | H10 | 180.0° | 62.8° |
| C17 | O4 | C18 | H11 | 60.0° | 177.2° |
| C17 | O4 | C18 | H12 | 60.0° | 57.2° |
| O4 | C17 | C16 | H13 | 1.9° | 0.1° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C5 | C4 | C3 | H2 | 180.0° | 179.6° |
| C4 | C5 | C6 | O1 | 174.5° | 180.0° |
| C4 | C5 | C6 | C1 | 1.8° | 0.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C5 | C4 | C3 | H19 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 1.6° | 0.1° |
| C5 | C6 | O1 | C7 | 28.4° | 0.0° |
| C5 | C6 | O1 | C1 | 176.4° | 180.0° |
| C5 | C6 | C1 | C2 | 0.3° | 0.0° |
| C5 | C6 | C1 | O | 177.0° | 180.0° |
| C6 | C5 | C4 | H2 | 178.4° | 179.7° |
| C4 | C3 | C2 | H19 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 1.6° | 0.0° |
| C3 | C4 | C5 | H3 | 178.3° | 180.0° |
| C4 | C3 | C2 | H20 | 178.4° | 180.0° |
| C8 | C7 | O1 | H4 | 119.7° | 120.0° |
| C8 | C7 | O1 | H5 | 119.7° | 120.0° |
| C8 | C7 | O1 | C6 | 174.6° | 176.2° |
| C8 | C7 | H4 | H5 | 120.8° | 120.1° |
| C7 | C8 | H6 | H7 | 118.8° | 120.0° |
| C7 | C8 | N | H15 | 21.1° | 5.0° |
| O4 | C18 | H10 | H11 | 120.0° | 119.9° |
| O4 | C18 | H10 | H12 | 120.0° | 120.0° |
| O4 | C18 | H11 | H12 | 120.0° | 120.0° |
| C7 | O1 | C6 | C1 | 155.2° | 180.0° |
| O1 | C7 | H4 | H5 | 120.8° | 119.9° |
| O1 | C7 | C8 | H6 | 76.4° | 174.9° |
| O1 | C7 | C8 | H7 | 164.5° | 55.0° |
| O1 | C6 | C1 | C2 | 176.3° | 180.0° |
| O1 | C6 | C1 | O | 0.4° | 0.0° |
| O1 | C6 | C5 | H3 | 5.5° | 0.0° |
| C6 | O1 | C7 | H4 | 65.7° | 56.2° |
| C6 | O1 | C7 | H5 | 54.8° | 63.8° |
| C6 | C1 | C2 | C3 | 1.4° | 0.0° |
| C6 | C1 | C2 | O | 176.3° | 180.0° |
| C6 | C1 | O | C | 166.8° | 180.0° |
| C1 | C6 | C5 | H3 | 178.2° | 180.0° |
| C6 | C1 | C2 | H20 | 178.6° | 180.0° |
| C3 | C2 | C1 | H20 | 180.0° | 180.0° |
| C3 | C2 | C1 | O | 174.9° | 180.0° |
| C2 | C3 | C4 | H2 | 179.9° | 179.7° |
| C2 | C1 | O | C | 9.7° | 0.0° |
| C1 | C2 | C3 | H19 | 178.4° | 179.7° |
| C1 | O | C | H16 | 180.0° | 60.0° |
| C1 | O | C | H17 | 60.0° | 60.0° |
| C1 | O | C | H18 | 60.0° | 180.0° |
| O | C1 | C2 | H20 | 5.1° | 0.0° |
| O | C | H16 | H17 | 120.0° | 120.0° |
| O | C | H16 | H18 | 120.0° | 120.0° |
| O | C | H17 | H18 | 120.0° | 120.0° |
| H2 | C4 | C5 | H3 | 1.6° | 0.4° |
| H2 | C4 | C3 | H19 | 0.1° | 0.0° |
| H4 | C7 | C8 | H6 | 43.4° | 54.9° |
| H4 | C7 | C8 | H7 | 75.8° | 65.0° |
| H5 | C7 | C8 | H6 | 163.9° | 65.1° |
| H5 | C7 | C8 | H7 | 44.8° | 174.9° |
| H6 | C8 | N | H15 | 99.3° | 115.1° |
| H7 | C8 | N | H15 | 141.6° | 125.0° |
| H8 | C15 | C16 | H13 | 1.5° | 0.0° |
| H8 | C15 | C14 | H14 | 0.9° | 0.1° |
| H10 | C18 | H11 | H12 | 120.0° | 120.1° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
| H19 | C3 | C2 | H20 | 1.6° | 0.3° |
