09F
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 | 1.49Å | |
| C3 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C4 | sing | 1.55Å | 1.48Å | |
| C7 | C9 | sing | 1.51Å | 1.50Å | |
| C13 | C2 | sing | 1.53Å | 1.51Å | |
| C4 | C2 | sing | 1.54Å | 1.51Å | |
| C1 | C2 | sing | 1.50Å | 1.48Å | |
| C1 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| C2 | C14 | sing | 1.50Å | 1.51Å | |
| C8 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | O11 | sing | 1.34Å | 1.36Å | |
| C9 | O12 | doub | 1.21Å | 1.22Å | |
| O11 | C18 | sing | 1.45Å | 1.45Å | |
| C23 | C18 | sing | 1.53Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C17 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C17 | N16 | sing | 1.40Å | 1.38Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C24 | sing | 1.47Å | 1.46Å | |
| C14 | N16 | sing | 1.35Å | 1.38Å | |
| C14 | O15 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C24 | N25 | trip | 1.14Å | 1.16Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| N16 | H20 | sing | 0.97Å | 1.00Å | |
| N10 | H21 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N10 | C13 | 108.6° | 105.9° |
| N10 | C7 | C4 | 104.4° | 103.3° |
| N10 | C7 | C9 | 112.8° | 110.6° |
| N10 | C7 | H19 | 111.0° | 110.8° |
| C7 | N10 | H21 | 109.8° | 111.0° |
| N10 | C13 | C2 | 105.4° | 106.7° |
| N10 | C13 | H17 | 110.9° | 110.0° |
| N10 | C13 | H18 | 110.8° | 110.1° |
| C13 | N10 | H21 | 109.8° | 111.0° |
| C5 | C3 | C1 | 117.5° | 120.0° |
| C3 | C5 | C8 | 121.2° | 119.8° |
| C3 | C5 | H1 | 119.4° | 120.1° |
| C5 | C3 | H3 | 121.2° | 120.0° |
| C3 | C1 | C2 | 129.5° | 133.5° |
| C3 | C1 | C17 | 120.6° | 120.6° |
| C1 | C3 | H3 | 121.2° | 120.0° |
| C5 | C8 | C6 | 121.1° | 120.3° |
| C8 | C5 | H1 | 119.4° | 120.1° |
| C5 | C8 | H2 | 119.5° | 119.8° |
| C4 | C7 | C9 | 110.4° | 110.7° |
| C7 | C4 | C2 | 105.7° | 102.7° |
| C7 | C4 | H15 | 110.7° | 110.7° |
| C7 | C4 | H16 | 110.7° | 110.9° |
| C4 | C7 | H19 | 113.4° | 110.7° |
| C7 | C9 | O11 | 109.1° | 120.0° |
| C7 | C9 | O12 | 124.3° | 120.1° |
| C9 | C7 | H19 | 105.1° | 110.6° |
| C13 | C2 | C4 | 106.3° | 106.1° |
| C13 | C2 | C1 | 113.1° | 111.7° |
| C13 | C2 | C14 | 114.1° | 111.6° |
| C2 | C13 | H17 | 110.8° | 110.0° |
| C2 | C13 | H18 | 110.8° | 110.0° |
| C4 | C2 | C1 | 113.5° | 111.4° |
| C4 | C2 | C14 | 108.6° | 111.2° |
| C2 | C4 | H15 | 110.7° | 110.8° |
| C2 | C4 | H16 | 110.7° | 110.8° |
| C2 | C1 | C17 | 109.9° | 105.9° |
| C1 | C2 | C14 | 101.4° | 105.1° |
| C1 | C17 | C6 | 123.0° | 119.0° |
| C1 | C17 | N16 | 110.3° | 110.2° |
| C2 | C14 | N16 | 108.5° | 106.7° |
| C2 | C14 | O15 | 125.3° | 126.7° |
| C8 | C6 | C17 | 116.6° | 120.2° |
| C6 | C8 | H2 | 119.5° | 119.9° |
| C8 | C6 | H4 | 121.7° | 119.9° |
| O11 | C9 | O12 | 126.3° | 120.0° |
| C9 | O11 | C18 | 116.6° | 117.0° |
| O11 | C18 | C23 | 109.9° | 109.5° |
| O11 | C18 | C19 | 106.4° | 109.4° |
| O11 | C18 | C24 | 111.3° | 109.4° |
| C18 | C23 | C22 | 111.1° | 109.5° |
| C23 | C18 | C19 | 109.1° | 109.5° |
| C23 | C18 | C24 | 110.8° | 109.5° |
| C18 | C23 | H13 | 108.9° | 109.5° |
| C18 | C23 | H14 | 108.9° | 109.5° |
| C23 | C22 | C21 | 111.1° | 109.5° |
| C23 | C22 | H9 | 108.9° | 109.5° |
| C23 | C22 | H10 | 108.9° | 109.4° |
| C22 | C23 | H13 | 108.9° | 109.4° |
| C22 | C23 | H14 | 108.9° | 109.5° |
| C6 | C17 | N16 | 126.7° | 130.8° |
| C17 | C6 | H4 | 121.7° | 119.9° |
| C17 | N16 | C14 | 109.9° | 112.1° |
| C17 | N16 | H20 | 125.1° | 123.9° |
| C19 | C18 | C24 | 109.3° | 109.5° |
| C18 | C19 | C20 | 112.2° | 109.4° |
| C18 | C19 | H11 | 108.6° | 109.5° |
| C18 | C19 | H12 | 108.6° | 109.5° |
| C18 | C24 | N25 | 179.2° | 180.0° |
| N16 | C14 | O15 | 126.2° | 126.6° |
| C14 | N16 | H20 | 125.1° | 124.0° |
| C19 | C20 | C21 | 109.5° | 109.4° |
| C19 | C20 | H7 | 109.5° | 109.5° |
| C19 | C20 | H8 | 109.4° | 109.5° |
| C20 | C19 | H11 | 108.5° | 109.4° |
| C20 | C19 | H12 | 108.6° | 109.5° |
| C22 | C21 | C20 | 110.5° | 109.5° |
| C22 | C21 | H5 | 109.1° | 109.5° |
| C22 | C21 | H6 | 109.1° | 109.5° |
| C21 | C22 | H9 | 109.0° | 109.5° |
| C21 | C22 | H10 | 109.0° | 109.5° |
| C20 | C21 | H5 | 109.1° | 109.5° |
| C20 | C21 | H6 | 109.1° | 109.4° |
| C21 | C20 | H7 | 109.4° | 109.5° |
| C21 | C20 | H8 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.8° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.4° |
| H9 | C22 | H10 | 110.0° | 109.4° |
| H11 | C19 | H12 | 110.4° | 109.5° |
| H13 | C23 | H14 | 110.0° | 109.5° |
| H15 | C4 | H16 | 108.2° | 110.7° |
| H17 | C13 | H18 | 108.1° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N10 | C13 | H21 | 120.0° | 120.5° |
| N10 | C7 | C4 | C9 | 121.5° | 118.4° |
| N10 | C7 | C4 | H19 | 120.9° | 118.6° |
| N10 | C7 | C9 | H19 | 121.1° | 123.1° |
| C7 | N10 | C13 | C2 | 10.9° | 25.2° |
| N10 | C7 | C4 | C2 | 31.4° | 36.7° |
| N10 | C7 | C9 | O11 | 3.4° | 166.1° |
| N10 | C7 | C9 | O12 | 177.8° | 13.9° |
| N10 | C7 | C4 | H15 | 88.6° | 155.0° |
| N10 | C7 | C4 | H16 | 151.3° | 81.8° |
| C7 | N10 | C13 | H17 | 109.2° | 94.2° |
| C7 | N10 | C13 | H18 | 130.8° | 144.5° |
| C13 | N10 | C7 | C4 | 26.4° | 38.7° |
| C13 | N10 | C7 | C9 | 93.5° | 157.1° |
| N10 | C13 | C2 | H17 | 120.0° | 119.3° |
| N10 | C13 | C2 | H18 | 120.0° | 119.4° |
| N10 | C13 | C2 | C4 | 8.7° | 1.4° |
| N10 | C13 | C2 | C1 | 133.9° | 122.9° |
| N10 | C13 | C2 | C14 | 110.9° | 119.8° |
| N10 | C13 | H17 | H18 | 121.7° | 121.4° |
| C13 | N10 | C7 | H19 | 148.9° | 79.8° |
| C5 | C3 | C1 | H3 | 180.0° | 180.0° |
| C3 | C5 | C8 | H1 | 180.0° | 179.7° |
| C5 | C3 | C1 | C2 | 179.2° | 180.0° |
| C5 | C3 | C1 | C17 | 1.1° | 0.5° |
| C3 | C5 | C8 | C6 | 0.8° | 0.2° |
| C3 | C5 | C8 | H2 | 179.2° | 179.8° |
| C1 | C3 | C5 | C8 | 0.9° | 0.0° |
| C3 | C1 | C2 | C13 | 57.5° | 59.0° |
| C3 | C1 | C2 | C4 | 63.7° | 59.4° |
| C3 | C1 | C2 | C17 | 178.2° | 179.5° |
| C3 | C1 | C2 | C14 | 179.9° | 179.9° |
| C3 | C1 | C17 | C6 | 1.2° | 0.8° |
| C3 | C1 | C17 | N16 | 179.7° | 180.0° |
| C1 | C3 | C5 | H1 | 179.1° | 179.7° |
| C5 | C8 | C6 | H2 | 180.0° | 179.9° |
| C5 | C8 | C6 | C17 | 0.8° | 0.0° |
| C8 | C5 | C3 | H3 | 179.0° | 180.0° |
| C5 | C8 | C6 | H4 | 179.3° | 180.0° |
| C4 | C7 | C9 | H19 | 122.6° | 123.0° |
| C7 | C4 | C2 | C13 | 25.1° | 21.5° |
| C7 | C4 | C2 | H15 | 120.0° | 118.2° |
| C7 | C4 | C2 | H16 | 120.0° | 118.5° |
| C7 | C4 | C2 | C1 | 150.0° | 100.2° |
| C7 | C4 | C2 | C14 | 98.1° | 142.9° |
| C4 | C7 | C9 | O11 | 119.8° | 80.0° |
| C4 | C7 | C9 | O12 | 65.8° | 100.0° |
| C7 | C4 | H15 | H16 | 121.5° | 123.4° |
| C4 | C7 | N10 | H21 | 146.4° | 81.9° |
| C9 | C7 | C4 | C2 | 90.1° | 155.1° |
| C7 | C9 | O11 | O12 | 174.3° | 180.0° |
| C7 | C9 | O11 | C18 | 177.6° | 180.0° |
| C9 | C7 | C4 | H15 | 149.9° | 86.6° |
| C9 | C7 | C4 | H16 | 29.9° | 36.7° |
| C9 | C7 | N10 | H21 | 26.5° | 36.6° |
| C13 | C2 | C4 | C1 | 124.9° | 121.7° |
| C13 | C2 | C4 | C14 | 123.1° | 121.5° |
| C13 | C2 | C1 | C14 | 122.6° | 121.1° |
| C13 | C2 | C1 | C17 | 124.2° | 120.5° |
| C13 | C2 | C14 | N16 | 123.3° | 120.7° |
| C13 | C2 | C14 | O15 | 57.9° | 59.2° |
| C13 | C2 | C4 | H15 | 94.9° | 139.7° |
| C13 | C2 | C4 | H16 | 145.0° | 97.1° |
| C2 | C13 | H17 | H18 | 121.6° | 121.3° |
| C2 | C13 | N10 | H21 | 130.9° | 95.4° |
| C4 | C2 | C1 | C14 | 116.2° | 120.5° |
| C4 | C2 | C1 | C17 | 114.6° | 121.1° |
| C4 | C2 | C14 | N16 | 118.4° | 121.1° |
| C4 | C2 | C14 | O15 | 60.5° | 59.0° |
| C2 | C4 | H15 | H16 | 121.5° | 123.3° |
| C4 | C2 | C13 | H17 | 128.7° | 117.9° |
| C4 | C2 | C13 | H18 | 111.3° | 120.8° |
| C2 | C4 | C7 | H19 | 152.3° | 81.9° |
| C2 | C1 | C17 | C6 | 179.6° | 179.6° |
| C2 | C1 | C17 | N16 | 1.3° | 0.4° |
| C1 | C2 | C14 | N16 | 1.5° | 0.5° |
| C1 | C2 | C14 | O15 | 179.7° | 179.6° |
| C2 | C1 | C3 | H3 | 0.8° | 0.1° |
| C1 | C2 | C4 | H15 | 30.0° | 18.0° |
| C1 | C2 | C4 | H16 | 90.1° | 141.3° |
| C1 | C2 | C13 | H17 | 106.1° | 3.6° |
| C1 | C2 | C13 | H18 | 13.9° | 117.8° |
| C17 | C1 | C2 | C14 | 1.6° | 0.5° |
| C1 | C17 | C6 | C8 | 1.0° | 0.5° |
| C1 | C17 | C6 | N16 | 179.0° | 179.0° |
| C1 | C17 | N16 | C14 | 0.3° | 0.1° |
| C17 | C1 | C3 | H3 | 178.9° | 179.5° |
| C1 | C17 | C6 | H4 | 179.0° | 179.5° |
| C1 | C17 | N16 | H20 | 179.7° | 180.0° |
| C2 | C14 | N16 | C17 | 0.8° | 0.2° |
| C2 | C14 | N16 | O15 | 178.8° | 179.9° |
| C14 | C2 | C4 | H15 | 141.9° | 98.8° |
| C14 | C2 | C4 | H16 | 21.9° | 24.4° |
| C14 | C2 | C13 | H17 | 9.1° | 120.8° |
| C14 | C2 | C13 | H18 | 129.1° | 0.5° |
| C2 | C14 | N16 | H20 | 179.2° | 179.7° |
| C8 | C6 | C17 | H4 | 180.0° | 179.9° |
| C8 | C6 | C17 | N16 | 179.9° | 179.5° |
| C6 | C8 | C5 | H1 | 179.2° | 179.9° |
| C9 | O11 | C18 | C23 | 81.8° | 180.0° |
| C9 | O11 | C18 | C19 | 160.3° | 60.0° |
| C9 | O11 | C18 | C24 | 41.3° | 60.0° |
| O11 | C9 | C7 | H19 | 117.6° | 43.0° |
| O12 | C9 | O11 | C18 | 8.1° | 0.0° |
| O12 | C9 | C7 | H19 | 56.8° | 137.0° |
| O11 | C18 | C23 | C19 | 116.2° | 120.0° |
| O11 | C18 | C23 | C24 | 123.4° | 120.0° |
| O11 | C18 | C23 | C22 | 172.4° | 180.0° |
| O11 | C18 | C19 | C24 | 120.2° | 120.0° |
| O11 | C18 | C19 | C20 | 175.6° | 180.0° |
| O11 | C18 | C24 | N25 | 120.4° | 151.6° |
| O11 | C18 | C19 | H11 | 55.6° | 60.0° |
| O11 | C18 | C19 | H12 | 64.4° | 60.0° |
| O11 | C18 | C23 | H13 | 67.6° | 60.0° |
| O11 | C18 | C23 | H14 | 52.4° | 60.0° |
| C18 | C23 | C22 | H13 | 120.0° | 120.0° |
| C18 | C23 | C22 | H14 | 120.0° | 120.0° |
| C23 | C18 | C19 | C24 | 121.4° | 120.0° |
| C23 | C18 | C19 | C20 | 57.2° | 60.0° |
| C18 | C23 | C22 | C21 | 57.4° | 60.0° |
| C23 | C18 | C24 | N25 | 117.0° | 31.6° |
| C18 | C23 | C22 | H9 | 62.6° | 180.0° |
| C18 | C23 | C22 | H10 | 177.4° | 60.1° |
| C23 | C18 | C19 | H11 | 62.8° | 179.9° |
| C23 | C18 | C19 | H12 | 177.2° | 60.0° |
| C18 | C23 | H13 | H14 | 119.3° | 120.0° |
| C22 | C23 | C18 | C19 | 56.1° | 60.0° |
| C22 | C23 | C18 | C24 | 64.3° | 60.1° |
| C23 | C22 | C21 | H9 | 120.0° | 120.0° |
| C23 | C22 | C21 | H10 | 120.0° | 120.0° |
| C23 | C22 | C21 | C20 | 57.5° | 60.0° |
| C23 | C22 | C21 | H5 | 177.5° | 60.0° |
| C23 | C22 | C21 | H6 | 62.4° | 179.9° |
| C23 | C22 | H9 | H10 | 119.3° | 119.9° |
| C22 | C23 | H13 | H14 | 119.4° | 120.0° |
| C6 | C17 | N16 | C14 | 179.4° | 179.2° |
| C17 | C6 | C8 | H2 | 179.2° | 179.9° |
| C6 | C17 | N16 | H20 | 0.6° | 0.9° |
| C17 | N16 | C14 | H20 | 180.0° | 179.9° |
| C17 | N16 | C14 | O15 | 179.6° | 179.9° |
| N16 | C17 | C6 | H4 | 0.1° | 0.5° |
| C18 | C19 | C20 | H11 | 120.0° | 120.0° |
| C18 | C19 | C20 | H12 | 120.0° | 120.0° |
| C18 | C19 | C20 | C21 | 57.9° | 60.0° |
| C19 | C18 | C24 | N25 | 3.2° | 88.4° |
| C18 | C19 | C20 | H7 | 177.8° | 60.0° |
| C18 | C19 | C20 | H8 | 62.1° | 180.0° |
| C18 | C19 | H11 | H12 | 118.9° | 120.1° |
| C19 | C18 | C23 | H13 | 176.1° | 60.0° |
| C19 | C18 | C23 | H14 | 63.9° | 179.9° |
| C24 | C18 | C19 | C20 | 64.2° | 60.0° |
| C24 | C18 | C19 | H11 | 175.8° | 59.9° |
| C24 | C18 | C19 | H12 | 55.8° | 180.0° |
| C24 | C18 | C23 | H13 | 55.7° | 180.0° |
| C24 | C18 | C23 | H14 | 175.7° | 60.0° |
| O15 | C14 | N16 | H20 | 0.4° | 0.2° |
| C19 | C20 | C21 | C22 | 57.0° | 60.0° |
| C19 | C20 | C21 | H7 | 120.0° | 120.0° |
| C19 | C20 | C21 | H8 | 120.0° | 120.0° |
| C19 | C20 | C21 | H5 | 177.0° | 60.0° |
| C19 | C20 | C21 | H6 | 63.0° | 180.0° |
| C19 | C20 | H7 | H8 | 120.0° | 120.0° |
| C20 | C19 | H11 | H12 | 118.8° | 120.0° |
| C22 | C21 | C20 | H5 | 120.0° | 120.1° |
| C22 | C21 | C20 | H6 | 120.0° | 120.0° |
| C22 | C21 | H5 | H6 | 119.6° | 120.1° |
| C22 | C21 | C20 | H7 | 177.0° | 60.0° |
| C22 | C21 | C20 | H8 | 63.0° | 180.0° |
| C21 | C22 | H9 | H10 | 119.4° | 120.0° |
| C21 | C22 | C23 | H13 | 177.4° | 60.0° |
| C21 | C22 | C23 | H14 | 62.6° | 180.0° |
| C20 | C21 | H5 | H6 | 119.5° | 119.9° |
| C21 | C20 | H7 | H8 | 120.0° | 120.0° |
| C20 | C21 | C22 | H9 | 62.5° | 180.0° |
| C20 | C21 | C22 | H10 | 177.5° | 60.0° |
| C21 | C20 | C19 | H11 | 62.2° | 180.0° |
| C21 | C20 | C19 | H12 | 177.9° | 60.0° |
| H1 | C5 | C8 | H2 | 0.8° | 0.1° |
| H1 | C5 | C3 | H3 | 0.9° | 0.3° |
| H2 | C8 | C6 | H4 | 0.7° | 0.0° |
| H5 | C21 | C20 | H7 | 63.0° | 179.9° |
| H5 | C21 | C20 | H8 | 57.0° | 60.0° |
| H5 | C21 | C22 | H9 | 57.5° | 60.0° |
| H5 | C21 | C22 | H10 | 62.5° | NaN° |
| H6 | C21 | C20 | H7 | 57.0° | 60.0° |
| H6 | C21 | C20 | H8 | 177.0° | 60.0° |
| H6 | C21 | C22 | H9 | 177.5° | 60.0° |
| H6 | C21 | C22 | H10 | 57.5° | 60.0° |
| H7 | C20 | C19 | H11 | 57.8° | 60.0° |
| H7 | C20 | C19 | H12 | 62.1° | 180.0° |
| H8 | C20 | C19 | H11 | 177.9° | 60.0° |
| H8 | C20 | C19 | H12 | 57.9° | 60.0° |
| H9 | C22 | C23 | H13 | 57.4° | 60.0° |
| H9 | C22 | C23 | H14 | 177.4° | 60.0° |
| H10 | C22 | C23 | H13 | 62.6° | 180.0° |
| H10 | C22 | C23 | H14 | 57.4° | 60.0° |
| H15 | C4 | C7 | H19 | 32.3° | 36.3° |
| H16 | C4 | C7 | H19 | 87.7° | 159.6° |
| H17 | C13 | N10 | H21 | 10.8° | 145.3° |
| H18 | C13 | N10 | H21 | 109.2° | 24.0° |
| H19 | C7 | N10 | H21 | 91.1° | 159.6° |
