39Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | N1 | sing | 1.38Å | 1.33Å | |
| C3 | C5 | sing | 1.49Å | 1.40Å | |
| C3 | O4 | doub | 1.22Å | 1.23Å | |
| C5 | C7 | doub | 1.33Å | 1.41Å | |
| C5 | C19 | sing | 1.48Å | 1.45Å | |
| C6 | C11 | sing | 1.48Å | 1.41Å | Aromatic |
| C6 | N1 | doub | 1.29Å | 1.34Å | |
| C6 | C7 | sing | 1.47Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.43Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.34Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.46Å | 1.40Å | Aromatic |
| C9 | O12 | sing | 1.38Å | 1.36Å | |
| C10 | C11 | doub | 1.34Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | C21 | sing | 1.52Å | 1.42Å | |
| C19 | H19 | sing | 1.10Å | 1.10Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C20 | H203 | sing | 1.10Å | 1.10Å | |
| C21 | N22 | sing | 1.35Å | 1.33Å | |
| C21 | C26 | doub | 1.35Å | 1.34Å | |
| O12 | HO12 | sing | 0.96Å | 0.95Å | |
| C26 | C25 | sing | 1.42Å | 1.33Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | C24 | doub | 1.38Å | 1.33Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | N22 | sing | 1.37Å | 1.33Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| N22 | HN22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C3 | C5 | 110.4° | 108.6° |
| N1 | C3 | O4 | 123.0° | 127.3° |
| C3 | N1 | C6 | 109.2° | 105.8° |
| C5 | C3 | O4 | 126.6° | 124.1° |
| C3 | C5 | C7 | 105.4° | 106.9° |
| C3 | C5 | C19 | 127.9° | 122.3° |
| C7 | C5 | C19 | 126.7° | 130.7° |
| C5 | C7 | C6 | 106.3° | 104.4° |
| C5 | C7 | C8 | 134.5° | 134.4° |
| C5 | C19 | C20 | 119.9° | 110.6° |
| C5 | C19 | C21 | 123.6° | 111.5° |
| C5 | C19 | H19 | 34.5° | 106.9° |
| C11 | C6 | N1 | 131.2° | 128.3° |
| C11 | C6 | C7 | 120.0° | 117.4° |
| C6 | C11 | C10 | 120.2° | 118.4° |
| C6 | C11 | H11 | 119.9° | 119.2° |
| N1 | C6 | C7 | 108.8° | 114.3° |
| C6 | C7 | C8 | 119.3° | 121.3° |
| C7 | C8 | C9 | 120.3° | 118.6° |
| C7 | C8 | H8 | 119.9° | 119.9° |
| C9 | C8 | H8 | 119.9° | 121.5° |
| C8 | C9 | C10 | 120.2° | 121.6° |
| C8 | C9 | O12 | 119.8° | 121.2° |
| C10 | C9 | O12 | 120.0° | 117.2° |
| C9 | C10 | C11 | 120.0° | 122.8° |
| C9 | C10 | H10 | 120.0° | 118.1° |
| C9 | O12 | HO12 | 109.5° | 109.9° |
| C11 | C10 | H10 | 120.0° | 119.1° |
| C10 | C11 | H11 | 119.9° | 122.5° |
| C20 | C19 | C21 | 116.5° | 111.9° |
| C20 | C19 | H19 | 150.5° | 107.2° |
| C19 | C20 | H201 | 109.5° | 110.2° |
| C19 | C20 | H202 | 109.5° | 111.8° |
| C19 | C20 | H203 | 109.5° | 111.6° |
| C21 | C19 | H19 | 91.0° | 108.5° |
| C19 | C21 | N22 | 127.8° | 119.7° |
| C19 | C21 | C26 | 125.4° | 129.3° |
| H201 | C20 | H202 | 109.5° | 107.1° |
| H201 | C20 | H203 | 109.4° | 108.0° |
| H202 | C20 | H203 | 109.5° | 107.9° |
| N22 | C21 | C26 | 106.8° | 110.9° |
| C21 | N22 | C24 | 108.8° | 107.9° |
| C21 | N22 | HN22 | 125.6° | 127.0° |
| C21 | C26 | C25 | 108.7° | 105.9° |
| C21 | C26 | H26 | 125.7° | 127.3° |
| C25 | C26 | H26 | 125.7° | 126.8° |
| C26 | C25 | C24 | 107.8° | 107.4° |
| C26 | C25 | H25 | 126.1° | 127.0° |
| C24 | C25 | H25 | 126.1° | 125.6° |
| C25 | C24 | N22 | 107.9° | 107.8° |
| C25 | C24 | H24 | 126.0° | 131.6° |
| N22 | C24 | H24 | 126.0° | 120.6° |
| C24 | N22 | HN22 | 125.6° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C3 | C5 | O4 | 179.2° | 179.9° |
| N1 | C3 | C5 | C7 | 0.1° | 0.0° |
| N1 | C3 | C5 | C19 | 178.8° | 180.0° |
| C3 | N1 | C6 | C11 | 179.6° | 180.0° |
| C3 | N1 | C6 | C7 | 0.3° | 0.0° |
| C3 | C5 | C7 | C19 | 178.9° | 179.9° |
| C5 | C3 | N1 | C6 | 0.1° | 0.0° |
| C3 | C5 | C7 | C6 | 0.2° | 0.0° |
| C3 | C5 | C7 | C8 | 179.9° | 180.0° |
| C3 | C5 | C19 | C20 | 175.1° | 63.5° |
| C3 | C5 | C19 | C21 | 4.1° | 61.6° |
| C3 | C5 | C19 | H19 | 25.8° | 179.9° |
| O4 | C3 | C5 | C7 | 179.2° | 179.9° |
| O4 | C3 | C5 | C19 | 0.4° | 0.0° |
| O4 | C3 | N1 | C6 | 179.1° | 179.9° |
| C5 | C7 | C6 | C11 | 179.6° | 180.0° |
| C5 | C7 | C6 | N1 | 0.3° | 0.0° |
| C5 | C7 | C6 | C8 | 179.9° | 180.0° |
| C5 | C7 | C8 | C9 | 179.7° | 180.0° |
| C5 | C7 | C8 | H8 | 0.3° | 0.0° |
| C7 | C5 | C19 | C20 | 3.6° | 116.4° |
| C7 | C5 | C19 | C21 | 177.3° | 118.5° |
| C7 | C5 | C19 | H19 | 155.5° | 0.0° |
| C19 | C5 | C7 | C6 | 178.7° | 179.9° |
| C19 | C5 | C7 | C8 | 1.2° | 0.1° |
| C5 | C19 | C20 | C21 | 179.2° | 124.9° |
| C5 | C19 | C20 | H19 | 24.2° | 116.2° |
| C5 | C19 | C21 | H19 | 12.1° | 117.5° |
| C5 | C19 | C20 | H201 | 73.1° | 58.4° |
| C5 | C19 | C20 | H202 | 47.0° | 60.7° |
| C5 | C19 | C20 | H203 | 167.0° | 178.4° |
| C5 | C19 | C21 | N22 | 2.2° | 87.4° |
| C5 | C19 | C21 | C26 | 177.3° | 92.5° |
| C11 | C6 | N1 | C7 | 179.9° | 180.0° |
| C11 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | C11 | C10 | C9 | 0.0° | 0.0° |
| C6 | C11 | C10 | H11 | 180.0° | 180.0° |
| C6 | C11 | C10 | H10 | 180.0° | 179.9° |
| N1 | C6 | C7 | C8 | 179.8° | 180.0° |
| N1 | C6 | C11 | C10 | 179.9° | 180.0° |
| N1 | C6 | C11 | H11 | 0.1° | 0.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C7 | C6 | C11 | C10 | 0.2° | 0.0° |
| C7 | C6 | C11 | H11 | 179.8° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | O12 | 178.8° | 179.9° |
| C8 | C9 | C10 | O12 | 178.9° | 179.9° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C8 | C9 | C10 | H10 | 179.9° | 179.9° |
| C8 | C9 | O12 | HO12 | 75.0° | 44.1° |
| H8 | C8 | C9 | C10 | 179.9° | 180.0° |
| H8 | C8 | C9 | O12 | 1.2° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C10 | C9 | O12 | HO12 | 106.1° | 135.9° |
| O12 | C9 | C10 | C11 | 178.7° | 180.0° |
| O12 | C9 | C10 | H10 | 1.2° | 0.2° |
| H10 | C10 | C11 | H11 | 0.0° | 0.1° |
| C20 | C19 | C21 | H19 | 168.7° | 118.1° |
| C19 | C20 | H201 | H202 | 120.0° | 121.9° |
| C19 | C20 | H201 | H203 | 120.0° | 122.2° |
| C19 | C20 | H202 | H203 | 120.0° | 123.1° |
| C20 | C19 | C21 | N22 | 178.7° | 148.2° |
| C20 | C19 | C21 | C26 | 1.9° | 31.9° |
| C21 | C19 | C20 | H201 | 107.8° | 176.7° |
| C21 | C19 | C20 | H202 | 132.2° | 64.3° |
| C21 | C19 | C20 | H203 | 12.2° | 56.7° |
| C19 | C21 | N22 | C26 | 179.5° | 179.9° |
| C19 | C21 | C26 | C25 | 179.5° | 179.9° |
| C19 | C21 | C26 | H26 | 0.4° | 0.1° |
| C19 | C21 | N22 | C24 | 179.5° | 179.9° |
| C19 | C21 | N22 | HN22 | 0.5° | 0.0° |
| H19 | C19 | C20 | H201 | 48.9° | 57.9° |
| H19 | C19 | C20 | H202 | 71.1° | 176.9° |
| H19 | C19 | C20 | H203 | 168.8° | 62.2° |
| H19 | C19 | C21 | N22 | 9.9° | 30.2° |
| H19 | C19 | C21 | C26 | 170.6° | 150.0° |
| H201 | C20 | H202 | H203 | 119.9° | 116.1° |
| N22 | C21 | C26 | C25 | 0.0° | 0.0° |
| N22 | C21 | C26 | H26 | 180.0° | 180.0° |
| C21 | N22 | C24 | C25 | 0.1° | 0.0° |
| C21 | N22 | C24 | HN22 | 180.0° | 179.9° |
| C21 | N22 | C24 | H24 | 179.9° | 179.9° |
| C21 | C26 | C25 | H26 | 180.0° | 179.9° |
| C21 | C26 | C25 | C24 | 0.0° | 0.0° |
| C21 | C26 | C25 | H25 | 180.0° | 180.0° |
| C26 | C21 | N22 | C24 | 0.1° | 0.0° |
| C26 | C21 | N22 | HN22 | 179.9° | 179.9° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | N22 | 0.0° | 0.1° |
| C26 | C25 | C24 | H24 | 180.0° | 179.9° |
| H26 | C26 | C25 | C24 | 180.0° | 180.0° |
| H26 | C26 | C25 | H25 | 0.1° | 0.1° |
| C25 | C24 | N22 | H24 | 180.0° | 180.0° |
| C25 | C24 | N22 | HN22 | 179.9° | 179.9° |
| H25 | C25 | C24 | N22 | 179.9° | 180.0° |
| H25 | C25 | C24 | H24 | 0.1° | 0.0° |
| H24 | C24 | N22 | HN22 | 0.1° | 0.1° |
