74F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| C14 | N28 | sing | 1.47Å | 1.46Å | |
| C19 | N28 | sing | 1.47Å | 1.46Å | |
| C19 | C12 | sing | 1.51Å | 1.47Å | |
| C3 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | O30 | sing | 1.43Å | 1.43Å | |
| C4 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| N28 | C13 | sing | 1.47Å | 1.46Å | |
| C12 | N23 | doub | 1.31Å | 1.31Å | Aromatic |
| C12 | N27 | sing | 1.35Å | 1.36Å | Aromatic |
| N23 | C11 | sing | 1.34Å | 1.37Å | Aromatic |
| O30 | C15 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.41Å | 1.38Å | Aromatic |
| C6 | N21 | sing | 1.35Å | 1.37Å | Aromatic |
| C7 | N26 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| N27 | C18 | sing | 1.47Å | 1.45Å | |
| N27 | N24 | sing | 1.40Å | 1.34Å | Aromatic |
| C11 | N24 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | C8 | sing | 1.48Å | 1.44Å | |
| N22 | C8 | doub | 1.33Å | 1.34Å | Aromatic |
| N22 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| N21 | N25 | doub | 1.29Å | 1.32Å | Aromatic |
| N26 | C9 | sing | 1.40Å | 1.41Å | |
| N26 | N25 | sing | 1.40Å | 1.34Å | Aromatic |
| C8 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | N20 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | N20 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | N29 | sing | 1.39Å | 1.40Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| N29 | H13 | sing | 0.97Å | 1.00Å | |
| N29 | H14 | sing | 0.97Å | 1.00Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C19 | N28 | 113.9° | 109.5° |
| C17 | C19 | C12 | 109.9° | 109.5° |
| C17 | C19 | H12 | 107.9° | 109.4° |
| C19 | C17 | H17 | 109.5° | 109.5° |
| C19 | C17 | H18 | 109.5° | 109.5° |
| C19 | C17 | H19 | 109.4° | 109.5° |
| C2 | C1 | C3 | 122.2° | 120.7° |
| C1 | C2 | C4 | 122.7° | 120.5° |
| C2 | C1 | H1 | 118.9° | 119.7° |
| C1 | C2 | H2 | 118.7° | 119.7° |
| C1 | C3 | C6 | 115.8° | 119.9° |
| C3 | C1 | H1 | 118.9° | 119.6° |
| C1 | C3 | H3 | 122.1° | 120.0° |
| C2 | C4 | C7 | 114.7° | 119.7° |
| C4 | C2 | H2 | 118.7° | 119.8° |
| C2 | C4 | H15 | 122.7° | 120.2° |
| C16 | C14 | N28 | 107.5° | 109.2° |
| C14 | C16 | O30 | 108.9° | 109.3° |
| C16 | C14 | H6 | 110.0° | 109.5° |
| C16 | C14 | H7 | 110.0° | 109.5° |
| C14 | C16 | H10 | 109.6° | 109.5° |
| C14 | C16 | H11 | 109.6° | 109.5° |
| C14 | N28 | C19 | 112.7° | 111.0° |
| C14 | N28 | C13 | 108.7° | 110.7° |
| N28 | C14 | H6 | 109.9° | 109.5° |
| N28 | C14 | H7 | 109.9° | 109.5° |
| N28 | C19 | C12 | 108.0° | 109.5° |
| C19 | N28 | C13 | 106.6° | 111.0° |
| N28 | C19 | H12 | 108.6° | 109.5° |
| C19 | C12 | N23 | 127.7° | 125.9° |
| C19 | C12 | N27 | 123.4° | 125.9° |
| C12 | C19 | H12 | 108.4° | 109.5° |
| C3 | C6 | C7 | 121.3° | 119.3° |
| C3 | C6 | N21 | 129.3° | 133.1° |
| C6 | C3 | H3 | 122.1° | 120.1° |
| C16 | O30 | C15 | 109.5° | 113.7° |
| O30 | C16 | H10 | 109.6° | 109.5° |
| O30 | C16 | H11 | 109.6° | 109.5° |
| C4 | C7 | C6 | 123.4° | 119.9° |
| C4 | C7 | N26 | 132.2° | 134.0° |
| C7 | C4 | H15 | 122.7° | 120.2° |
| N28 | C13 | C15 | 108.3° | 109.2° |
| N28 | C13 | H4 | 109.8° | 109.4° |
| N28 | C13 | H5 | 109.8° | 109.6° |
| N23 | C12 | N27 | 108.8° | 108.3° |
| C12 | N23 | C11 | 103.3° | 109.8° |
| C12 | N27 | C18 | 128.0° | 126.8° |
| C12 | N27 | N24 | 111.7° | 106.5° |
| N23 | C11 | N24 | 114.8° | 108.7° |
| N23 | C11 | C8 | 122.4° | 125.7° |
| O30 | C15 | C13 | 108.3° | 109.3° |
| O30 | C15 | H8 | 109.8° | 109.5° |
| O30 | C15 | H9 | 109.7° | 109.5° |
| C7 | C6 | N21 | 109.4° | 107.5° |
| C6 | C7 | N26 | 104.3° | 106.1° |
| C6 | N21 | N25 | 107.4° | 110.3° |
| C7 | N26 | C9 | 127.4° | 126.7° |
| C7 | N26 | N25 | 109.9° | 106.6° |
| C15 | C13 | H4 | 109.8° | 109.5° |
| C15 | C13 | H5 | 109.8° | 109.6° |
| C13 | C15 | H8 | 109.8° | 109.5° |
| C13 | C15 | H9 | 109.8° | 109.6° |
| C18 | N27 | N24 | 120.3° | 126.7° |
| N27 | C18 | H20 | 109.5° | 109.5° |
| N27 | C18 | H21 | 109.5° | 109.5° |
| N27 | C18 | H22 | 109.5° | 109.4° |
| N27 | N24 | C11 | 101.4° | 106.7° |
| N24 | C11 | C8 | 122.8° | 125.6° |
| C11 | C8 | N22 | 118.0° | 120.0° |
| C11 | C8 | C5 | 119.2° | 120.0° |
| C8 | N22 | C9 | 113.9° | 119.9° |
| N22 | C8 | C5 | 122.8° | 120.1° |
| N22 | C9 | N26 | 118.3° | 120.1° |
| N22 | C9 | C10 | 123.5° | 119.8° |
| N21 | N25 | N26 | 109.0° | 109.5° |
| C9 | N26 | N25 | 120.5° | 126.7° |
| N26 | C9 | C10 | 118.1° | 120.1° |
| C8 | C5 | N20 | 123.1° | 120.1° |
| C8 | C5 | H16 | 118.5° | 119.9° |
| C9 | C10 | N20 | 121.8° | 120.0° |
| C9 | C10 | N29 | 119.9° | 120.0° |
| C5 | N20 | C10 | 114.8° | 120.1° |
| N20 | C5 | H16 | 118.5° | 119.9° |
| N20 | C10 | N29 | 118.3° | 120.1° |
| C10 | N29 | H13 | 109.5° | 120.0° |
| C10 | N29 | H14 | 109.5° | 120.0° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.6° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H13 | N29 | H14 | 109.5° | 120.0° |
| H17 | C17 | H18 | 109.5° | 109.4° |
| H17 | C17 | H19 | 109.5° | 109.4° |
| H18 | C17 | H19 | 109.5° | 109.4° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H20 | C18 | H22 | 109.5° | 109.4° |
| H21 | C18 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C19 | N28 | C14 | 18.6° | 60.0° |
| C17 | C19 | N28 | C12 | 122.4° | 120.0° |
| C17 | C19 | N28 | H12 | 120.2° | 120.0° |
| C17 | C19 | C12 | H12 | 117.7° | 120.0° |
| C17 | C19 | N28 | C13 | 137.7° | 176.4° |
| C17 | C19 | C12 | N23 | 63.8° | 75.1° |
| C17 | C19 | C12 | N27 | 116.7° | 105.3° |
| C19 | C17 | H17 | H18 | 120.0° | 120.1° |
| C19 | C17 | H17 | H19 | 120.0° | 120.0° |
| C19 | C17 | H18 | H19 | 120.0° | 120.0° |
| C2 | C1 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C4 | H2 | 180.0° | 179.9° |
| C2 | C1 | C3 | C6 | 0.1° | 0.0° |
| C1 | C2 | C4 | C7 | 0.1° | 0.0° |
| C2 | C1 | C3 | H3 | 179.9° | 180.0° |
| C1 | C2 | C4 | H15 | 180.0° | 179.9° |
| C3 | C1 | C2 | C4 | 0.0° | 0.1° |
| C1 | C3 | C6 | H3 | 180.0° | 180.0° |
| C1 | C3 | C6 | C7 | 0.0° | 0.0° |
| C1 | C3 | C6 | N21 | 180.0° | 180.0° |
| C3 | C1 | C2 | H2 | 180.0° | 180.0° |
| C2 | C4 | C7 | H15 | 180.0° | 180.0° |
| C2 | C4 | C7 | C6 | 0.1° | 0.0° |
| C2 | C4 | C7 | N26 | 179.9° | 179.9° |
| C4 | C2 | C1 | H1 | 179.9° | 179.8° |
| C16 | C14 | N28 | H6 | 119.7° | 119.9° |
| C16 | C14 | N28 | H7 | 119.7° | 119.9° |
| C16 | C14 | N28 | C19 | 179.5° | 177.6° |
| C14 | C16 | O30 | H10 | 119.9° | 120.0° |
| C14 | C16 | O30 | H11 | 119.9° | 120.0° |
| C16 | C14 | N28 | C13 | 61.6° | 58.7° |
| C14 | C16 | O30 | C15 | 63.2° | 58.6° |
| C16 | C14 | H6 | H7 | 120.9° | 120.1° |
| C14 | C16 | H10 | H11 | 120.3° | 120.1° |
| C14 | N28 | C19 | C13 | 119.1° | 123.6° |
| C14 | N28 | C19 | C12 | 141.0° | 180.0° |
| N28 | C14 | C16 | O30 | 61.9° | 56.8° |
| C14 | N28 | C13 | C15 | 62.0° | 58.7° |
| C14 | N28 | C13 | H4 | 57.8° | 178.6° |
| C14 | N28 | C13 | H5 | 178.2° | 61.3° |
| N28 | C14 | H6 | H7 | 120.9° | 120.2° |
| N28 | C14 | C16 | H10 | 58.0° | 63.1° |
| N28 | C14 | C16 | H11 | 178.2° | 176.8° |
| C14 | N28 | C19 | H12 | 101.6° | 60.0° |
| N28 | C19 | C12 | H12 | 117.5° | 120.0° |
| N28 | C19 | C12 | N23 | 60.9° | 44.9° |
| N28 | C19 | C12 | N27 | 118.5° | 134.6° |
| C19 | N28 | C13 | C15 | 176.3° | 177.6° |
| C19 | N28 | C13 | H4 | 63.9° | 57.7° |
| C19 | N28 | C13 | H5 | 56.5° | 62.4° |
| C19 | N28 | C14 | H6 | 59.7° | 62.5° |
| C19 | N28 | C14 | H7 | 60.8° | 57.8° |
| N28 | C19 | C17 | H17 | 180.0° | 60.0° |
| N28 | C19 | C17 | H18 | 60.0° | 180.0° |
| N28 | C19 | C17 | H19 | 60.0° | 60.0° |
| C12 | C19 | N28 | C13 | 99.9° | 56.4° |
| C19 | C12 | N23 | N27 | 179.5° | 179.6° |
| C19 | C12 | N23 | C11 | 179.9° | 179.9° |
| C19 | C12 | N27 | C18 | 0.6° | 0.4° |
| C19 | C12 | N27 | N24 | 179.9° | 179.9° |
| C12 | C19 | C17 | H17 | 58.7° | 60.0° |
| C12 | C19 | C17 | H18 | 178.7° | 60.0° |
| C12 | C19 | C17 | H19 | 61.4° | 180.0° |
| C3 | C6 | C7 | C4 | 0.1° | 0.1° |
| C3 | C6 | C7 | N21 | 180.0° | 180.0° |
| C3 | C6 | C7 | N26 | 179.9° | 180.0° |
| C3 | C6 | N21 | N25 | 180.0° | 180.0° |
| C6 | C3 | C1 | H1 | 179.9° | 179.7° |
| C16 | O30 | C15 | C13 | 62.8° | 58.7° |
| O30 | C16 | C14 | H6 | 57.8° | 63.1° |
| O30 | C16 | C14 | H7 | 178.4° | 176.7° |
| C16 | O30 | C15 | H8 | 57.1° | 178.6° |
| C16 | O30 | C15 | H9 | 177.4° | 61.4° |
| O30 | C16 | H10 | H11 | 120.3° | 120.1° |
| C4 | C7 | C6 | N26 | 180.0° | 179.9° |
| C4 | C7 | C6 | N21 | 179.9° | 180.0° |
| C4 | C7 | N26 | C9 | 17.3° | 0.1° |
| C4 | C7 | N26 | N25 | 179.9° | 180.0° |
| C7 | C4 | C2 | H2 | 179.9° | 180.0° |
| N28 | C13 | C15 | O30 | 61.9° | 56.9° |
| N28 | C13 | C15 | H4 | 119.8° | 119.8° |
| N28 | C13 | C15 | H5 | 119.8° | 120.0° |
| N28 | C13 | H4 | H5 | 120.6° | 120.1° |
| C13 | N28 | C14 | H6 | 58.1° | 61.2° |
| C13 | N28 | C14 | H7 | 178.7° | 178.5° |
| N28 | C13 | C15 | H8 | 58.0° | 176.8° |
| N28 | C13 | C15 | H9 | 178.3° | 63.1° |
| C13 | N28 | C19 | H12 | 17.5° | 63.6° |
| N23 | C12 | N27 | C18 | 179.9° | 179.9° |
| N23 | C12 | N27 | N24 | 0.6° | 0.5° |
| C12 | N23 | C11 | N24 | 0.1° | 0.0° |
| C12 | N23 | C11 | C8 | 178.5° | 179.7° |
| N23 | C12 | C19 | H12 | 178.4° | 165.0° |
| N27 | C12 | N23 | C11 | 0.4° | 0.3° |
| C12 | N27 | C18 | N24 | 179.3° | 179.3° |
| C12 | N27 | N24 | C11 | 0.4° | 0.5° |
| N27 | C12 | C19 | H12 | 1.0° | 14.6° |
| C12 | N27 | C18 | H20 | 179.3° | 89.9° |
| C12 | N27 | C18 | H21 | 60.7° | 150.0° |
| C12 | N27 | C18 | H22 | 59.3° | 30.1° |
| N23 | C11 | N24 | N27 | 0.2° | 0.3° |
| N23 | C11 | N24 | C8 | 178.7° | 179.7° |
| N23 | C11 | C8 | N22 | 7.8° | 180.0° |
| N23 | C11 | C8 | C5 | 171.1° | 0.3° |
| O30 | C15 | C13 | H8 | 119.8° | 119.9° |
| O30 | C15 | C13 | H9 | 119.8° | 120.0° |
| O30 | C15 | C13 | H4 | 58.0° | 176.7° |
| O30 | C15 | C13 | H5 | 178.3° | 63.1° |
| O30 | C15 | H8 | H9 | 120.5° | 120.1° |
| C15 | O30 | C16 | H10 | 56.7° | 61.3° |
| C15 | O30 | C16 | H11 | 176.9° | 178.6° |
| C7 | C6 | N21 | N25 | 0.0° | 0.0° |
| C6 | C7 | N26 | C9 | 162.7° | 180.0° |
| C6 | C7 | N26 | N25 | 0.1° | 0.1° |
| C7 | C6 | C3 | H3 | 180.0° | 180.0° |
| C6 | C7 | C4 | H15 | 179.9° | 180.0° |
| N21 | C6 | C7 | N26 | 0.1° | 0.1° |
| C6 | N21 | N25 | N26 | 0.1° | 0.0° |
| N21 | C6 | C3 | H3 | 0.0° | 0.0° |
| C7 | N26 | C9 | N22 | 27.9° | 47.9° |
| C7 | N26 | N25 | N21 | 0.1° | 0.0° |
| C7 | N26 | C9 | N25 | 161.2° | 179.9° |
| C7 | N26 | C9 | C10 | 151.5° | 132.7° |
| N26 | C7 | C4 | H15 | 0.1° | 0.1° |
| C15 | C13 | H4 | H5 | 120.6° | 120.2° |
| C13 | C15 | H8 | H9 | 120.6° | 120.2° |
| C18 | N27 | N24 | C11 | 179.8° | 179.9° |
| N27 | C18 | H20 | H21 | 120.0° | 120.1° |
| N27 | C18 | H20 | H22 | 120.0° | 119.9° |
| N27 | C18 | H21 | H22 | 120.0° | 119.9° |
| N27 | N24 | C11 | C8 | 178.8° | 180.0° |
| N24 | N27 | C18 | H20 | 0.0° | 89.5° |
| N24 | N27 | C18 | H21 | 120.0° | 30.7° |
| N24 | N27 | C18 | H22 | 120.0° | 150.6° |
| N24 | C11 | C8 | N22 | 173.6° | 0.4° |
| N24 | C11 | C8 | C5 | 7.4° | 179.9° |
| C11 | C8 | N22 | C5 | 178.9° | 179.7° |
| C11 | C8 | N22 | C9 | 179.0° | 179.8° |
| C11 | C8 | C5 | N20 | 178.8° | 180.0° |
| C11 | C8 | C5 | H16 | 1.2° | 0.1° |
| C8 | N22 | C9 | N26 | 179.6° | 179.7° |
| C8 | N22 | C9 | C10 | 0.2° | 0.4° |
| N22 | C8 | C5 | N20 | 0.1° | 0.3° |
| N22 | C8 | C5 | H16 | 179.9° | 179.7° |
| N22 | C9 | N26 | C10 | 179.4° | 179.3° |
| N22 | C9 | N26 | N25 | 171.0° | 132.0° |
| C9 | N22 | C8 | C5 | 0.1° | 0.1° |
| N22 | C9 | C10 | N20 | 0.3° | 0.7° |
| N22 | C9 | C10 | N29 | 179.8° | 179.2° |
| N21 | N25 | N26 | C9 | 164.1° | 180.0° |
| N26 | C9 | C10 | N20 | 179.6° | 180.0° |
| N26 | C9 | C10 | N29 | 0.5° | 0.1° |
| N25 | N26 | C9 | C10 | 9.7° | 47.3° |
| C8 | C5 | N20 | H16 | 180.0° | 179.9° |
| C8 | C5 | N20 | C10 | 0.0° | 0.0° |
| C9 | C10 | N20 | C5 | 0.1° | 0.5° |
| C9 | C10 | N20 | N29 | 179.9° | 179.9° |
| C9 | C10 | N29 | H13 | 179.9° | 6.4° |
| C9 | C10 | N29 | H14 | 60.1° | 173.6° |
| C5 | N20 | C10 | N29 | 180.0° | 179.4° |
| N20 | C10 | N29 | H13 | 0.0° | 173.7° |
| N20 | C10 | N29 | H14 | 120.0° | 6.3° |
| C10 | N20 | C5 | H16 | 179.9° | 180.0° |
| C10 | N29 | H13 | H14 | 120.0° | 180.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.3° |
| H1 | C1 | C3 | H3 | 0.1° | 0.3° |
| H2 | C2 | C4 | H15 | 0.1° | 0.0° |
| H4 | C13 | C15 | H8 | 177.8° | 63.4° |
| H4 | C13 | C15 | H9 | 61.8° | 56.7° |
| H5 | C13 | C15 | H8 | 61.8° | 56.8° |
| H5 | C13 | C15 | H9 | 58.5° | 176.9° |
| H6 | C14 | C16 | H10 | 177.7° | 177.0° |
| H6 | C14 | C16 | H11 | 62.1° | 56.9° |
| H7 | C14 | C16 | H10 | 61.7° | 56.8° |
| H7 | C14 | C16 | H11 | 58.5° | 63.3° |
| H12 | C19 | C17 | H17 | 59.4° | 180.0° |
| H12 | C19 | C17 | H18 | 60.6° | 60.0° |
| H12 | C19 | C17 | H19 | 179.4° | 60.0° |
| H17 | C17 | H18 | H19 | 120.0° | 119.9° |
| H20 | C18 | H21 | H22 | 120.0° | 120.0° |
