09A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C7 | sing | 1.49Å | 1.49Å | |
| N10 | C13 | sing | 1.48Å | 1.48Å | |
| C3 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C4 | sing | 1.55Å | 1.51Å | |
| C7 | C9 | sing | 1.51Å | 1.51Å | |
| C13 | C2 | sing | 1.53Å | 1.51Å | |
| C4 | C2 | sing | 1.54Å | 1.51Å | |
| C1 | C2 | sing | 1.50Å | 1.49Å | |
| C1 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| C9 | O12 | doub | 1.21Å | 1.22Å | |
| C9 | O11 | sing | 1.34Å | 1.37Å | |
| C2 | C14 | sing | 1.50Å | 1.51Å | |
| C8 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| O11 | C18 | sing | 1.45Å | 1.43Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | N16 | sing | 1.40Å | 1.39Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | N16 | sing | 1.35Å | 1.37Å | |
| C14 | O15 | doub | 1.21Å | 1.22Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C23 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| N16 | H17 | sing | 0.97Å | 1.00Å | |
| N10 | H18 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N10 | C13 | 111.3° | 105.9° |
| N10 | C7 | C4 | 103.9° | 103.3° |
| N10 | C7 | C9 | 109.1° | 110.7° |
| N10 | C7 | H14 | 114.0° | 110.8° |
| C7 | N10 | H18 | 108.9° | 111.0° |
| N10 | C13 | C2 | 104.4° | 106.7° |
| N10 | C13 | H12 | 111.2° | 110.0° |
| N10 | C13 | H13 | 111.2° | 110.0° |
| C13 | N10 | H18 | 108.8° | 111.0° |
| C5 | C3 | C1 | 118.2° | 120.1° |
| C3 | C5 | C8 | 120.9° | 119.9° |
| C3 | C5 | H2 | 119.5° | 120.1° |
| C5 | C3 | H6 | 120.9° | 120.0° |
| C3 | C1 | C2 | 130.2° | 133.6° |
| C3 | C1 | C17 | 120.1° | 120.6° |
| C1 | C3 | H6 | 120.9° | 120.0° |
| C5 | C8 | C6 | 121.0° | 120.3° |
| C8 | C5 | H2 | 119.5° | 120.0° |
| C5 | C8 | H5 | 119.5° | 119.9° |
| C4 | C7 | C9 | 111.6° | 110.6° |
| C7 | C4 | C2 | 106.8° | 102.7° |
| C7 | C4 | H10 | 110.4° | 110.8° |
| C7 | C4 | H11 | 110.4° | 110.9° |
| C4 | C7 | H14 | 111.6° | 110.6° |
| C7 | C9 | O12 | 123.0° | 120.0° |
| C7 | C9 | O11 | 110.5° | 120.0° |
| C9 | C7 | H14 | 106.7° | 110.6° |
| C13 | C2 | C4 | 108.6° | 106.1° |
| C13 | C2 | C1 | 113.6° | 111.6° |
| C13 | C2 | C14 | 113.1° | 111.6° |
| C2 | C13 | H12 | 111.2° | 110.0° |
| C2 | C13 | H13 | 111.2° | 110.0° |
| C4 | C2 | C1 | 114.2° | 111.3° |
| C4 | C2 | C14 | 105.3° | 111.2° |
| C2 | C4 | H10 | 110.4° | 110.8° |
| C2 | C4 | H11 | 110.4° | 110.7° |
| C2 | C1 | C17 | 109.7° | 105.8° |
| C1 | C2 | C14 | 101.5° | 105.1° |
| C1 | C17 | C6 | 122.8° | 118.9° |
| C1 | C17 | N16 | 110.3° | 110.3° |
| O12 | C9 | O11 | 126.4° | 119.9° |
| C9 | O11 | C18 | 116.4° | 117.1° |
| C2 | C14 | N16 | 108.8° | 106.7° |
| C2 | C14 | O15 | 125.1° | 126.7° |
| C8 | C6 | C17 | 117.0° | 120.2° |
| C6 | C8 | H5 | 119.5° | 119.9° |
| C8 | C6 | H9 | 121.5° | 119.9° |
| O11 | C18 | C19 | 105.7° | 109.5° |
| O11 | C18 | H15 | 110.7° | 109.4° |
| O11 | C18 | H16 | 110.7° | 109.5° |
| C23 | C24 | C19 | 120.6° | 120.0° |
| C24 | C23 | C22 | 120.3° | 120.0° |
| C24 | C23 | H4 | 119.9° | 120.0° |
| C23 | C24 | H8 | 119.7° | 120.0° |
| C24 | C19 | C18 | 120.5° | 120.0° |
| C24 | C19 | C20 | 118.7° | 120.0° |
| C19 | C24 | H8 | 119.7° | 120.0° |
| C23 | C22 | C21 | 119.4° | 120.0° |
| C23 | C22 | H1 | 120.3° | 120.1° |
| C22 | C23 | H4 | 119.9° | 119.9° |
| C6 | C17 | N16 | 127.0° | 130.8° |
| C17 | C6 | H9 | 121.5° | 119.9° |
| C17 | N16 | C14 | 109.7° | 112.1° |
| C17 | N16 | H17 | 125.2° | 123.9° |
| C18 | C19 | C20 | 120.8° | 120.1° |
| C19 | C18 | H15 | 110.8° | 109.5° |
| C19 | C18 | H16 | 110.7° | 109.5° |
| C19 | C20 | C21 | 120.9° | 120.0° |
| C19 | C20 | H7 | 119.6° | 120.0° |
| N16 | C14 | O15 | 126.0° | 126.6° |
| C14 | N16 | H17 | 125.2° | 123.9° |
| C22 | C21 | C20 | 120.1° | 120.0° |
| C21 | C22 | H1 | 120.3° | 120.0° |
| C22 | C21 | H3 | 119.9° | 120.0° |
| C20 | C21 | H3 | 119.9° | 120.0° |
| C21 | C20 | H7 | 119.5° | 120.0° |
| H10 | C4 | H11 | 108.5° | 110.7° |
| H12 | C13 | H13 | 107.7° | 110.0° |
| H15 | C18 | H16 | 108.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N10 | C13 | H18 | 120.0° | 120.6° |
| N10 | C7 | C4 | C9 | 117.4° | 118.5° |
| N10 | C7 | C4 | H14 | 123.3° | 118.6° |
| N10 | C7 | C9 | H14 | 123.6° | 123.1° |
| C7 | N10 | C13 | C2 | 11.9° | 25.2° |
| N10 | C7 | C4 | C2 | 21.8° | 36.6° |
| N10 | C7 | C9 | O12 | 7.3° | 13.9° |
| N10 | C7 | C9 | O11 | 174.4° | 166.1° |
| N10 | C7 | C4 | H10 | 98.3° | 154.9° |
| N10 | C7 | C4 | H11 | 141.8° | 81.7° |
| C7 | N10 | C13 | H12 | 108.1° | 94.2° |
| C7 | N10 | C13 | H13 | 131.9° | 144.5° |
| C13 | N10 | C7 | C4 | 21.2° | 38.7° |
| C13 | N10 | C7 | C9 | 97.9° | 157.1° |
| N10 | C13 | C2 | H12 | 120.0° | 119.3° |
| N10 | C13 | C2 | H13 | 120.0° | 119.3° |
| N10 | C13 | C2 | C4 | 2.5° | 1.5° |
| N10 | C13 | C2 | C1 | 130.8° | 122.9° |
| N10 | C13 | C2 | C14 | 114.1° | 119.9° |
| N10 | C13 | H12 | H13 | 122.0° | 121.3° |
| C13 | N10 | C7 | H14 | 143.0° | 79.8° |
| C5 | C3 | C1 | H6 | 180.0° | 180.0° |
| C3 | C5 | C8 | H2 | 180.0° | 179.7° |
| C5 | C3 | C1 | C2 | 179.5° | 179.9° |
| C5 | C3 | C1 | C17 | 0.2° | 0.5° |
| C3 | C5 | C8 | C6 | 0.3° | 0.2° |
| C3 | C5 | C8 | H5 | 179.7° | 179.8° |
| C1 | C3 | C5 | C8 | 0.1° | 0.0° |
| C3 | C1 | C2 | C13 | 57.9° | 58.9° |
| C3 | C1 | C2 | C4 | 67.5° | 59.4° |
| C3 | C1 | C2 | C17 | 179.8° | 179.5° |
| C3 | C1 | C2 | C14 | 179.7° | 179.9° |
| C3 | C1 | C17 | C6 | 0.4° | 0.7° |
| C3 | C1 | C17 | N16 | 179.5° | 179.9° |
| C1 | C3 | C5 | H2 | 179.9° | 179.7° |
| C5 | C8 | C6 | H5 | 180.0° | 180.0° |
| C5 | C8 | C6 | C17 | 0.2° | 0.1° |
| C8 | C5 | C3 | H6 | 179.9° | 180.0° |
| C5 | C8 | C6 | H9 | 179.8° | 180.0° |
| C4 | C7 | C9 | H14 | 122.2° | 122.9° |
| C7 | C4 | C2 | C13 | 15.4° | 21.4° |
| C7 | C4 | C2 | H10 | 120.0° | 118.3° |
| C7 | C4 | C2 | H11 | 120.0° | 118.5° |
| C7 | C4 | C2 | C1 | 143.4° | 100.2° |
| C4 | C7 | C9 | O12 | 121.5° | 100.0° |
| C4 | C7 | C9 | O11 | 60.2° | 80.0° |
| C7 | C4 | C2 | C14 | 106.0° | 143.0° |
| C7 | C4 | H10 | H11 | 121.1° | 123.5° |
| C4 | C7 | N10 | H18 | 141.2° | 81.9° |
| C9 | C7 | C4 | C2 | 95.6° | 155.1° |
| C7 | C9 | O12 | O11 | 178.0° | 180.0° |
| C7 | C9 | O11 | C18 | 171.8° | 180.0° |
| C9 | C7 | C4 | H10 | 144.4° | 86.6° |
| C9 | C7 | C4 | H11 | 24.4° | 36.8° |
| C9 | C7 | N10 | H18 | 22.1° | 36.6° |
| C13 | C2 | C4 | C1 | 128.0° | 121.6° |
| C13 | C2 | C4 | C14 | 121.5° | 121.6° |
| C13 | C2 | C1 | C14 | 121.7° | 121.2° |
| C13 | C2 | C1 | C17 | 122.3° | 120.6° |
| C13 | C2 | C14 | N16 | 122.3° | 120.7° |
| C13 | C2 | C14 | O15 | 61.5° | 59.1° |
| C13 | C2 | C4 | H10 | 104.6° | 139.7° |
| C13 | C2 | C4 | H11 | 135.4° | 97.1° |
| C2 | C13 | H12 | H13 | 122.1° | 121.4° |
| C2 | C13 | N10 | H18 | 131.9° | 95.4° |
| C4 | C2 | C1 | C14 | 112.8° | 120.5° |
| C4 | C2 | C1 | C17 | 112.3° | 121.1° |
| C4 | C2 | C14 | N16 | 119.2° | 121.0° |
| C4 | C2 | C14 | O15 | 57.0° | 59.1° |
| C2 | C4 | H10 | H11 | 121.1° | 123.3° |
| C4 | C2 | C13 | H12 | 122.4° | 117.9° |
| C4 | C2 | C13 | H13 | 117.5° | 120.8° |
| C2 | C4 | C7 | H14 | 145.1° | 82.0° |
| C2 | C1 | C17 | C6 | 179.4° | 179.7° |
| C2 | C1 | C17 | N16 | 0.7° | 0.5° |
| C1 | C2 | C14 | N16 | 0.2° | 0.5° |
| C1 | C2 | C14 | O15 | 176.4° | 179.7° |
| C2 | C1 | C3 | H6 | 0.4° | 0.0° |
| C1 | C2 | C4 | H10 | 23.4° | 18.1° |
| C1 | C2 | C4 | H11 | 96.6° | 141.3° |
| C1 | C2 | C13 | H12 | 109.2° | 3.5° |
| C1 | C2 | C13 | H13 | 10.8° | 117.8° |
| C17 | C1 | C2 | C14 | 0.5° | 0.6° |
| C1 | C17 | C6 | C8 | 0.2° | 0.5° |
| C1 | C17 | C6 | N16 | 179.9° | 179.0° |
| C1 | C17 | N16 | C14 | 0.6° | 0.2° |
| C17 | C1 | C3 | H6 | 179.8° | 179.5° |
| C1 | C17 | C6 | H9 | 179.8° | 179.6° |
| C1 | C17 | N16 | H17 | 179.4° | 179.9° |
| O12 | C9 | O11 | C18 | 6.4° | 0.0° |
| O12 | C9 | C7 | H14 | 116.3° | 137.0° |
| C9 | O11 | C18 | C19 | 171.3° | 180.0° |
| O11 | C9 | C7 | H14 | 62.0° | 42.9° |
| C9 | O11 | C18 | H15 | 51.3° | 60.0° |
| C9 | O11 | C18 | H16 | 68.7° | 60.0° |
| C2 | C14 | N16 | C17 | 0.2° | 0.2° |
| C2 | C14 | N16 | O15 | 176.1° | 179.8° |
| C14 | C2 | C4 | H10 | 134.0° | 98.8° |
| C14 | C2 | C4 | H11 | 14.0° | 24.5° |
| C14 | C2 | C13 | H12 | 5.9° | 120.8° |
| C14 | C2 | C13 | H13 | 125.9° | 0.5° |
| C2 | C14 | N16 | H17 | 179.8° | 179.6° |
| C8 | C6 | C17 | H9 | 180.0° | 179.9° |
| C8 | C6 | C17 | N16 | 179.7° | 179.5° |
| C6 | C8 | C5 | H2 | 179.7° | 179.9° |
| O11 | C18 | C19 | C24 | 73.7° | 90.0° |
| O11 | C18 | C19 | H15 | 120.0° | 119.9° |
| O11 | C18 | C19 | H16 | 120.0° | 120.1° |
| O11 | C18 | C19 | C20 | 105.9° | 90.9° |
| O11 | C18 | H15 | H16 | 121.5° | 120.0° |
| C23 | C24 | C19 | H8 | 180.0° | 179.4° |
| C24 | C23 | C22 | H4 | 180.0° | 180.0° |
| C23 | C24 | C19 | C18 | 179.6° | 180.0° |
| C23 | C24 | C19 | C20 | 0.1° | 0.9° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C24 | C23 | C22 | H1 | 179.8° | 179.7° |
| C19 | C24 | C23 | C22 | 0.1° | 0.6° |
| C24 | C19 | C18 | C20 | 179.7° | 179.1° |
| C24 | C19 | C20 | C21 | 0.1° | 0.6° |
| C19 | C24 | C23 | H4 | 180.0° | 179.4° |
| C24 | C19 | C20 | H7 | 179.9° | 179.4° |
| C24 | C19 | C18 | H15 | 46.2° | 150.1° |
| C24 | C19 | C18 | H16 | 166.3° | 30.1° |
| C23 | C22 | C21 | H1 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 0.3° | 0.3° |
| C23 | C22 | C21 | H3 | 179.8° | 179.7° |
| C22 | C23 | C24 | H8 | 179.9° | 179.9° |
| C6 | C17 | N16 | C14 | 179.6° | 179.3° |
| C17 | C6 | C8 | H5 | 179.8° | 179.9° |
| C6 | C17 | N16 | H17 | 0.4° | 1.0° |
| C17 | N16 | C14 | H17 | 180.0° | 179.7° |
| C17 | N16 | C14 | O15 | 175.9° | 180.0° |
| N16 | C17 | C6 | H9 | 0.3° | 0.5° |
| C18 | C19 | C20 | C21 | 179.6° | 179.7° |
| C18 | C19 | C20 | H7 | 0.4° | 0.3° |
| C18 | C19 | C24 | H8 | 0.4° | 0.6° |
| C19 | C18 | H15 | H16 | 121.5° | 120.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H7 | 180.0° | 180.0° |
| C19 | C20 | C21 | H3 | 179.9° | 180.0° |
| C20 | C19 | C24 | H8 | 179.9° | 179.7° |
| C20 | C19 | C18 | H15 | 134.1° | 29.1° |
| C20 | C19 | C18 | H16 | 14.1° | 149.0° |
| O15 | C14 | N16 | H17 | 4.1° | 0.3° |
| C22 | C21 | C20 | H3 | 180.0° | 180.0° |
| C21 | C22 | C23 | H4 | 179.8° | 180.0° |
| C22 | C21 | C20 | H7 | 179.9° | 180.0° |
| C20 | C21 | C22 | H1 | 179.7° | 180.0° |
| H1 | C22 | C21 | H3 | 0.3° | 0.0° |
| H1 | C22 | C23 | H4 | 0.2° | 0.3° |
| H2 | C5 | C8 | H5 | 0.3° | 0.1° |
| H2 | C5 | C3 | H6 | 0.2° | 0.3° |
| H3 | C21 | C20 | H7 | 0.1° | 0.0° |
| H4 | C23 | C24 | H8 | 0.1° | 0.1° |
| H5 | C8 | C6 | H9 | 0.1° | 0.0° |
| H10 | C4 | C7 | H14 | 25.1° | 36.3° |
| H11 | C4 | C7 | H14 | 94.9° | 159.7° |
| H12 | C13 | N10 | H18 | 11.9° | 145.2° |
| H13 | C13 | N10 | H18 | 108.1° | 23.9° |
| H14 | C7 | N10 | H18 | 97.0° | 159.6° |
