Z93
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.38Å | |
| N1 | C5 | sing | 1.34Å | 1.37Å | |
| C2 | C3 | sing | 1.52Å | 1.56Å | |
| C2 | O7 | doub | 1.21Å | 1.22Å | |
| C3 | N4 | sing | 1.47Å | 1.47Å | |
| C3 | C8 | sing | 1.51Å | 1.51Å | |
| C3 | C23 | sing | 1.53Å | 1.61Å | |
| N4 | C5 | sing | 1.35Å | 1.43Å | |
| C5 | O6 | doub | 1.22Å | 1.25Å | |
| C8 | C9 | doub | 1.38Å | 1.42Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.45Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | C14 | sing | 1.48Å | 1.48Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.44Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | N18 | sing | 1.32Å | 1.37Å | Aromatic |
| N18 | C19 | doub | 1.32Å | 1.39Å | Aromatic |
| N20 | C21 | doub | 1.31Å | 1.48Å | |
| N20 | C22 | sing | 1.36Å | 1.41Å | |
| N20 | C23 | sing | 1.47Å | 1.47Å | |
| C21 | C25 | sing | 1.47Å | 1.50Å | |
| C22 | C24 | sing | 1.49Å | 1.48Å | |
| C22 | O30 | doub | 1.21Å | 1.22Å | |
| C24 | C25 | doub | 1.41Å | 1.44Å | Aromatic |
| C24 | C29 | sing | 1.37Å | 1.43Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.42Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.44Å | Aromatic |
| C28 | C29 | doub | 1.40Å | 1.42Å | Aromatic |
| C28 | O31 | sing | 1.36Å | 1.40Å | |
| O31 | C32 | sing | 1.43Å | 1.46Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C5 | 111.9° | 111.7° |
| N1 | C2 | C3 | 109.8° | 105.7° |
| N1 | C2 | O7 | 125.4° | 127.1° |
| C2 | N1 | HN1 | 124.0° | 124.2° |
| N1 | C5 | N4 | 106.7° | 112.4° |
| N1 | C5 | O6 | 123.2° | 123.8° |
| C5 | N1 | HN1 | 124.1° | 124.1° |
| C3 | C2 | O7 | 124.7° | 127.2° |
| C2 | C3 | N4 | 98.2° | 103.6° |
| C2 | C3 | C8 | 110.1° | 110.6° |
| C2 | C3 | C23 | 106.6° | 110.6° |
| N4 | C3 | C8 | 108.2° | 110.6° |
| N4 | C3 | C23 | 115.9° | 110.6° |
| C3 | N4 | C5 | 113.3° | 106.7° |
| C3 | N4 | HN4 | 123.4° | 126.7° |
| C8 | C3 | C23 | 116.3° | 110.7° |
| C3 | C8 | C9 | 120.8° | 119.9° |
| C3 | C8 | C13 | 120.6° | 119.9° |
| C3 | C23 | N20 | 107.0° | 109.5° |
| C3 | C23 | H23 | 110.3° | 109.5° |
| C3 | C23 | H23A | 110.3° | 109.5° |
| N4 | C5 | O6 | 130.1° | 123.8° |
| C5 | N4 | HN4 | 123.3° | 126.7° |
| C9 | C8 | C13 | 118.6° | 120.2° |
| C8 | C9 | C10 | 120.5° | 120.1° |
| C8 | C9 | H9 | 119.8° | 120.0° |
| C8 | C13 | C12 | 120.5° | 120.2° |
| C8 | C13 | H13 | 119.7° | 119.9° |
| C9 | C10 | C11 | 121.1° | 119.9° |
| C10 | C9 | H9 | 119.8° | 119.9° |
| C9 | C10 | H10 | 119.5° | 120.0° |
| C10 | C11 | C12 | 119.3° | 119.8° |
| C10 | C11 | C14 | 120.9° | 120.1° |
| C11 | C10 | H10 | 119.4° | 120.1° |
| C12 | C11 | C14 | 119.8° | 120.1° |
| C11 | C12 | C13 | 120.1° | 119.8° |
| C11 | C12 | H12 | 120.0° | 120.1° |
| C11 | C14 | C15 | 123.0° | 120.5° |
| C11 | C14 | C19 | 122.0° | 120.5° |
| C13 | C12 | H12 | 119.9° | 120.1° |
| C12 | C13 | H13 | 119.8° | 119.9° |
| C15 | C14 | C19 | 115.0° | 118.9° |
| C14 | C15 | C16 | 121.5° | 118.3° |
| C14 | C15 | H15 | 119.2° | 120.8° |
| C14 | C19 | N18 | 124.4° | 120.6° |
| C14 | C19 | H19 | 117.7° | 119.7° |
| C15 | C16 | C17 | 118.2° | 119.3° |
| C16 | C15 | H15 | 119.3° | 120.9° |
| C15 | C16 | H16 | 120.9° | 120.3° |
| C16 | C17 | N18 | 123.9° | 121.0° |
| C17 | C16 | H16 | 120.9° | 120.4° |
| C16 | C17 | H17 | 118.0° | 119.5° |
| C17 | N18 | C19 | 116.9° | 121.8° |
| N18 | C17 | H17 | 118.0° | 119.4° |
| N18 | C19 | H19 | 117.8° | 119.7° |
| C21 | N20 | C22 | 113.8° | 111.6° |
| C21 | N20 | C23 | 123.9° | 124.2° |
| N20 | C21 | C25 | 101.5° | 109.6° |
| N20 | C21 | H21 | 129.3° | 125.2° |
| C22 | N20 | C23 | 121.7° | 124.2° |
| N20 | C22 | C24 | 106.5° | 107.7° |
| N20 | C22 | O30 | 127.0° | 126.1° |
| N20 | C23 | H23 | 110.3° | 109.4° |
| N20 | C23 | H23A | 110.3° | 109.5° |
| C21 | C25 | C24 | 111.2° | 105.9° |
| C21 | C25 | C26 | 126.9° | 134.3° |
| C25 | C21 | H21 | 129.2° | 125.2° |
| C24 | C22 | O30 | 126.5° | 126.1° |
| C22 | C24 | C25 | 106.9° | 105.2° |
| C22 | C24 | C29 | 130.3° | 134.7° |
| C25 | C24 | C29 | 122.8° | 120.1° |
| C24 | C25 | C26 | 121.8° | 119.8° |
| C24 | C29 | C28 | 115.2° | 119.7° |
| C24 | C29 | H29 | 122.4° | 120.2° |
| C25 | C26 | C27 | 116.0° | 119.8° |
| C25 | C26 | H26 | 122.0° | 120.1° |
| C26 | C27 | C28 | 123.0° | 120.4° |
| C27 | C26 | H26 | 122.0° | 120.1° |
| C26 | C27 | H27 | 118.5° | 119.8° |
| C27 | C28 | C29 | 121.2° | 120.2° |
| C27 | C28 | O31 | 123.1° | 119.9° |
| C28 | C27 | H27 | 118.5° | 119.8° |
| C29 | C28 | O31 | 115.6° | 119.9° |
| C28 | C29 | H29 | 122.4° | 120.1° |
| C28 | O31 | C32 | 118.3° | 117.0° |
| O31 | C32 | H32 | 109.5° | 109.5° |
| O31 | C32 | H32A | 109.5° | 109.5° |
| O31 | C32 | H32B | 109.5° | 109.5° |
| H23 | C23 | H23A | 108.6° | 109.4° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H32 | C32 | H32B | 109.5° | 109.5° |
| H32A | C32 | H32B | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C5 | HN1 | 180.0° | 179.7° |
| N1 | C2 | C3 | O7 | 176.3° | 179.9° |
| N1 | C2 | C3 | N4 | 3.8° | 0.0° |
| N1 | C2 | C3 | C8 | 116.7° | 118.5° |
| N1 | C2 | C3 | C23 | 116.4° | 118.5° |
| C2 | N1 | C5 | N4 | 2.4° | 0.0° |
| C2 | N1 | C5 | O6 | 177.5° | 180.0° |
| C5 | N1 | C2 | C3 | 4.1° | 0.0° |
| C5 | N1 | C2 | O7 | 179.7° | 179.9° |
| N1 | C5 | N4 | C3 | 0.4° | 0.0° |
| N1 | C5 | N4 | O6 | 179.8° | 180.0° |
| N1 | C5 | N4 | HN4 | 179.6° | 180.0° |
| C2 | C3 | N4 | C8 | 114.4° | 118.5° |
| C2 | C3 | N4 | C23 | 113.0° | 118.5° |
| C2 | C3 | C8 | C23 | 121.4° | 123.0° |
| C2 | C3 | N4 | C5 | 2.5° | 0.0° |
| C2 | C3 | C8 | C9 | 153.8° | 89.3° |
| C2 | C3 | C8 | C13 | 24.3° | 90.5° |
| C2 | C3 | C23 | N20 | 59.4° | 64.3° |
| C3 | C2 | N1 | HN1 | 175.9° | 179.7° |
| C2 | C3 | N4 | HN4 | 177.5° | 180.0° |
| C2 | C3 | C23 | H23 | 179.3° | 175.7° |
| C2 | C3 | C23 | H23A | 60.7° | 55.7° |
| O7 | C2 | C3 | N4 | 179.9° | 179.9° |
| O7 | C2 | C3 | C8 | 67.1° | 61.4° |
| O7 | C2 | C3 | C23 | 59.9° | 61.6° |
| O7 | C2 | N1 | HN1 | 0.3° | 0.4° |
| N4 | C3 | C8 | C23 | 132.4° | 122.9° |
| C3 | N4 | C5 | HN4 | 180.0° | 180.0° |
| C3 | N4 | C5 | O6 | 179.8° | 179.9° |
| N4 | C3 | C8 | C9 | 100.0° | 24.8° |
| N4 | C3 | C8 | C13 | 82.0° | 155.4° |
| N4 | C3 | C23 | N20 | 48.7° | 49.8° |
| N4 | C3 | C23 | H23 | 71.3° | 70.1° |
| N4 | C3 | C23 | H23A | 168.7° | 169.9° |
| C8 | C3 | N4 | C5 | 116.9° | 118.5° |
| C3 | C8 | C9 | C13 | 178.1° | 179.8° |
| C3 | C8 | C9 | C10 | 179.0° | 180.0° |
| C3 | C8 | C13 | C12 | 178.4° | 179.7° |
| C8 | C3 | C23 | N20 | 177.4° | 172.7° |
| C8 | C3 | N4 | HN4 | 63.1° | 61.5° |
| C3 | C8 | C9 | H9 | 1.1° | 0.0° |
| C3 | C8 | C13 | H13 | 1.6° | 0.1° |
| C8 | C3 | C23 | H23 | 57.4° | 52.8° |
| C8 | C3 | C23 | H23A | 62.6° | 67.2° |
| C23 | C3 | N4 | C5 | 110.5° | 118.5° |
| C23 | C3 | C8 | C9 | 32.4° | 147.8° |
| C23 | C3 | C8 | C13 | 145.6° | 32.5° |
| C3 | C23 | N20 | C21 | 83.4° | 115.0° |
| C3 | C23 | N20 | C22 | 87.0° | 65.3° |
| C3 | C23 | N20 | H23 | 120.0° | 120.0° |
| C3 | C23 | N20 | H23A | 120.0° | 120.0° |
| C23 | C3 | N4 | HN4 | 69.5° | 61.5° |
| C3 | C23 | H23 | H23A | 121.0° | 120.0° |
| N4 | C5 | N1 | HN1 | 177.6° | 179.7° |
| O6 | C5 | N1 | HN1 | 2.5° | 0.3° |
| O6 | C5 | N4 | HN4 | 0.2° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.3° | 0.0° |
| C9 | C8 | C13 | C12 | 0.3° | 0.5° |
| C8 | C9 | C10 | H10 | 179.7° | 179.9° |
| C9 | C8 | C13 | H13 | 179.6° | 179.7° |
| C13 | C8 | C9 | C10 | 0.9° | 0.2° |
| C8 | C13 | C12 | C11 | 0.8° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.8° |
| C13 | C8 | C9 | H9 | 179.1° | 179.8° |
| C8 | C13 | C12 | H12 | 179.3° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.8° | 0.0° |
| C9 | C10 | C11 | C14 | 179.5° | 180.0° |
| C10 | C11 | C12 | C14 | 179.7° | 180.0° |
| C10 | C11 | C12 | C13 | 1.3° | 0.2° |
| C10 | C11 | C14 | C15 | 159.0° | 180.0° |
| C10 | C11 | C14 | C19 | 19.1° | 0.2° |
| C11 | C10 | C9 | H9 | 179.7° | 180.0° |
| C10 | C11 | C12 | H12 | 178.7° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C12 | C11 | C14 | C15 | 20.7° | 0.0° |
| C12 | C11 | C14 | C19 | 161.3° | 179.7° |
| C12 | C11 | C10 | H10 | 179.2° | 179.9° |
| C11 | C12 | C13 | H13 | 179.2° | 179.7° |
| C14 | C11 | C12 | C13 | 179.0° | 179.8° |
| C11 | C14 | C15 | C19 | 178.2° | 179.8° |
| C11 | C14 | C15 | C16 | 179.3° | 179.9° |
| C11 | C14 | C19 | N18 | 179.2° | 179.7° |
| C14 | C11 | C10 | H10 | 0.4° | 0.0° |
| C14 | C11 | C12 | H12 | 1.0° | 0.0° |
| C11 | C14 | C15 | H15 | 0.7° | 0.0° |
| C11 | C14 | C19 | H19 | 0.8° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.6° | 0.1° |
| C15 | C14 | C19 | N18 | 1.0° | 0.5° |
| C14 | C15 | C16 | H16 | 179.4° | 180.0° |
| C15 | C14 | C19 | H19 | 179.0° | 179.7° |
| C19 | C14 | C15 | C16 | 1.2° | 0.3° |
| C14 | C19 | N18 | C17 | 0.2° | 0.6° |
| C14 | C19 | N18 | H19 | 180.0° | 179.7° |
| C19 | C14 | C15 | H15 | 178.8° | 179.8° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | N18 | 0.3° | 0.1° |
| C15 | C16 | C17 | H17 | 179.7° | 180.0° |
| C16 | C17 | N18 | H17 | 180.0° | 179.9° |
| C16 | C17 | N18 | C19 | 0.5° | 0.3° |
| C17 | C16 | C15 | H15 | 179.4° | 180.0° |
| N18 | C17 | C16 | H16 | 179.7° | 180.0° |
| C17 | N18 | C19 | H19 | 179.8° | 179.7° |
| C19 | N18 | C17 | H17 | 179.5° | 179.7° |
| C21 | N20 | C22 | C23 | 171.3° | 179.7° |
| N20 | C21 | C25 | H21 | 180.0° | 180.0° |
| C21 | N20 | C22 | C24 | 2.0° | 0.0° |
| C21 | N20 | C22 | O30 | 180.0° | 180.0° |
| N20 | C21 | C25 | C24 | 0.9° | 0.0° |
| N20 | C21 | C25 | C26 | 178.2° | 180.0° |
| C21 | N20 | C23 | H23 | 156.6° | 5.0° |
| C21 | N20 | C23 | H23A | 36.6° | 124.9° |
| C22 | N20 | C21 | C25 | 1.8° | 0.0° |
| N20 | C22 | C24 | O30 | 178.0° | 180.0° |
| N20 | C22 | C24 | C25 | 1.4° | 0.0° |
| N20 | C22 | C24 | C29 | 178.6° | 180.0° |
| C22 | N20 | C21 | H21 | 178.2° | 180.0° |
| C22 | N20 | C23 | H23 | 32.9° | 174.7° |
| C22 | N20 | C23 | H23A | 152.9° | 54.7° |
| C23 | N20 | C21 | C25 | 172.9° | 179.7° |
| C23 | N20 | C22 | C24 | 173.4° | 179.7° |
| C23 | N20 | C22 | O30 | 8.7° | 0.3° |
| C23 | N20 | C21 | H21 | 7.0° | 0.3° |
| N20 | C23 | H23 | H23A | 121.0° | 120.0° |
| C21 | C25 | C24 | C22 | 0.3° | 0.0° |
| C21 | C25 | C24 | C26 | 179.1° | 180.0° |
| C21 | C25 | C24 | C29 | 179.7° | 180.0° |
| C21 | C25 | C26 | C27 | 180.0° | 180.0° |
| C21 | C25 | C26 | H26 | 0.0° | 0.1° |
| C22 | C24 | C25 | C29 | 179.9° | 180.0° |
| C22 | C24 | C25 | C26 | 179.4° | 180.0° |
| C22 | C24 | C29 | C28 | 179.8° | 180.0° |
| C22 | C24 | C29 | H29 | 0.2° | 0.1° |
| O30 | C22 | C24 | C25 | 179.3° | 180.0° |
| O30 | C22 | C24 | C29 | 0.6° | 0.0° |
| C24 | C25 | C26 | C27 | 1.0° | 0.0° |
| C25 | C24 | C29 | C28 | 0.1° | 0.0° |
| C24 | C25 | C21 | H21 | 179.1° | 180.0° |
| C24 | C25 | C26 | H26 | 179.0° | 179.9° |
| C25 | C24 | C29 | H29 | 179.9° | 180.0° |
| C29 | C24 | C25 | C26 | 0.6° | 0.0° |
| C24 | C29 | C28 | C27 | 0.2° | 0.1° |
| C24 | C29 | C28 | H29 | 180.0° | 180.0° |
| C24 | C29 | C28 | O31 | 176.9° | 180.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 1.1° | 0.0° |
| C26 | C25 | C21 | H21 | 1.8° | 0.0° |
| C25 | C26 | C27 | H27 | 178.9° | 179.9° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.8° | 0.1° |
| C26 | C27 | C28 | O31 | 176.1° | 180.0° |
| C27 | C28 | C29 | O31 | 177.1° | 179.9° |
| C27 | C28 | O31 | C32 | 2.5° | 0.1° |
| C28 | C27 | C26 | H26 | 178.9° | 179.9° |
| C27 | C28 | C29 | H29 | 179.8° | 179.9° |
| C29 | C28 | O31 | C32 | 179.5° | 180.0° |
| C29 | C28 | C27 | H27 | 179.2° | 180.0° |
| O31 | C28 | C27 | H27 | 3.9° | 0.1° |
| O31 | C28 | C29 | H29 | 3.1° | 0.0° |
| C28 | O31 | C32 | H32 | 180.0° | 180.0° |
| C28 | O31 | C32 | H32A | 60.0° | 59.9° |
| C28 | O31 | C32 | H32B | 60.0° | 60.0° |
| O31 | C32 | H32 | H32A | 120.0° | 120.0° |
| O31 | C32 | H32 | H32B | 120.0° | 120.0° |
| O31 | C32 | H32A | H32B | 120.0° | 120.0° |
| H9 | C9 | C10 | H10 | 0.3° | 0.0° |
| H12 | C12 | C13 | H13 | 0.7° | 0.1° |
| H15 | C15 | C16 | H16 | 0.6° | 0.1° |
| H16 | C16 | C17 | H17 | 0.2° | 0.0° |
| H26 | C26 | C27 | H27 | 1.1° | 0.0° |
| H32 | C32 | H32A | H32B | 120.0° | 120.0° |
