09Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | N4 | sing | 1.46Å | 1.48Å | |
| N4 | C5 | sing | 1.38Å | 1.39Å | |
| C5 | N6 | doub | 1.30Å | 1.36Å | Aromatic |
| C5 | S9 | sing | 1.71Å | 1.70Å | Aromatic |
| N6 | C7 | sing | 1.31Å | 1.34Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | N10 | sing | 1.38Å | 1.29Å | |
| C8 | S9 | sing | 1.76Å | 1.70Å | Aromatic |
| C8 | C11 | sing | 1.41Å | 1.51Å | |
| C11 | C12 | sing | 1.48Å | 1.48Å | |
| C11 | O18 | doub | 1.22Å | 1.35Å | |
| C12 | C13 | doub | 1.40Å | 1.46Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.45Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.44Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | N16 | sing | 1.32Å | 1.40Å | Aromatic |
| N16 | C17 | doub | 1.32Å | 1.43Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| N10 | HN1A | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 109.4° | 109.5° |
| C1 | C2 | N4 | 107.9° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | H2 | 110.9° | 109.5° |
| C3 | C2 | N4 | 110.7° | 109.5° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.4° |
| C2 | C3 | H3A | 109.4° | 109.5° |
| C2 | C3 | H3B | 109.5° | 109.5° |
| C2 | N4 | C5 | 121.5° | 120.0° |
| N4 | C2 | H2 | 109.7° | 109.5° |
| C2 | N4 | HN4 | 105.6° | 120.0° |
| N4 | C5 | N6 | 120.6° | 124.5° |
| N4 | C5 | S9 | 124.7° | 124.6° |
| C5 | N4 | HN4 | 105.6° | 120.0° |
| N6 | C5 | S9 | 114.7° | 110.8° |
| C5 | N6 | C7 | 110.4° | 117.3° |
| C5 | S9 | C8 | 88.7° | 90.6° |
| N6 | C7 | C8 | 114.2° | 113.6° |
| N6 | C7 | N10 | 121.9° | 123.2° |
| C8 | C7 | N10 | 123.9° | 123.3° |
| C7 | C8 | S9 | 112.0° | 107.7° |
| C7 | C8 | C11 | 124.3° | 126.1° |
| C7 | N10 | HN10 | 109.5° | 120.0° |
| C7 | N10 | HN1A | 109.5° | 120.0° |
| S9 | C8 | C11 | 123.7° | 126.2° |
| C8 | C11 | C12 | 123.7° | 120.0° |
| C8 | C11 | O18 | 118.1° | 120.0° |
| C12 | C11 | O18 | 118.2° | 120.0° |
| C11 | C12 | C13 | 119.7° | 120.5° |
| C11 | C12 | C17 | 121.9° | 120.6° |
| C13 | C12 | C17 | 118.4° | 118.9° |
| C12 | C13 | C14 | 121.3° | 118.3° |
| C12 | C13 | H13 | 119.3° | 120.8° |
| C12 | C17 | N16 | 118.3° | 120.6° |
| C12 | C17 | H17 | 120.9° | 119.7° |
| C13 | C14 | C15 | 118.8° | 119.3° |
| C14 | C13 | H13 | 119.4° | 120.9° |
| C13 | C14 | H14 | 120.6° | 120.4° |
| C14 | C15 | N16 | 119.9° | 121.1° |
| C15 | C14 | H14 | 120.6° | 120.3° |
| C14 | C15 | H15 | 120.0° | 119.5° |
| C15 | N16 | C17 | 123.3° | 121.9° |
| N16 | C15 | H15 | 120.0° | 119.5° |
| N16 | C17 | H17 | 120.8° | 119.8° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H3 | C3 | H3B | 109.4° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.5° |
| HN10 | N10 | HN1A | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N4 | 118.8° | 120.0° |
| C1 | C2 | C3 | H2 | 121.0° | 120.0° |
| C1 | C2 | N4 | H2 | 121.0° | 120.0° |
| C1 | C2 | N4 | C5 | 164.6° | 85.0° |
| C2 | C1 | H1 | H1A | 120.0° | 119.9° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3A | 60.0° | 179.9° |
| C1 | C2 | C3 | H3B | 60.0° | 60.0° |
| C1 | C2 | N4 | HN4 | 75.5° | 95.0° |
| C3 | C2 | N4 | H2 | 119.3° | 120.0° |
| C3 | C2 | N4 | C5 | 75.7° | 155.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H1A | 60.0° | 180.0° |
| C3 | C2 | C1 | H1B | 60.0° | 60.0° |
| C2 | C3 | H3 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3B | 120.0° | 120.0° |
| C2 | C3 | H3A | H3B | 120.0° | 120.0° |
| C3 | C2 | N4 | HN4 | 44.3° | 25.0° |
| C2 | N4 | C5 | HN4 | 120.0° | 180.0° |
| C2 | N4 | C5 | N6 | 166.7° | 0.0° |
| C2 | N4 | C5 | S9 | 13.2° | 179.7° |
| N4 | C2 | C1 | H1 | 59.4° | 180.0° |
| N4 | C2 | C1 | H1A | 60.5° | 60.0° |
| N4 | C2 | C1 | H1B | 179.4° | 60.0° |
| N4 | C2 | C3 | H3 | 61.2° | 60.0° |
| N4 | C2 | C3 | H3A | 178.8° | 59.9° |
| N4 | C2 | C3 | H3B | 58.8° | 180.0° |
| N4 | C5 | N6 | S9 | 179.9° | 179.8° |
| N4 | C5 | N6 | C7 | 179.8° | 180.0° |
| N4 | C5 | S9 | C8 | 179.5° | 179.9° |
| C5 | N4 | C2 | H2 | 43.6° | 35.0° |
| C5 | N6 | C7 | C8 | 0.3° | 0.0° |
| C5 | N6 | C7 | N10 | 179.6° | 180.0° |
| N6 | C5 | S9 | C8 | 0.4° | 0.3° |
| N6 | C5 | N4 | HN4 | 46.7° | 180.0° |
| S9 | C5 | N6 | C7 | 0.1° | 0.3° |
| C5 | S9 | C8 | C7 | 0.5° | 0.3° |
| C5 | S9 | C8 | C11 | 179.3° | 179.9° |
| S9 | C5 | N4 | HN4 | 133.2° | 0.3° |
| N6 | C7 | C8 | N10 | 179.2° | 179.9° |
| N6 | C7 | C8 | S9 | 0.6° | 0.2° |
| N6 | C7 | C8 | C11 | 179.2° | 180.0° |
| N6 | C7 | N10 | HN10 | 0.0° | 0.1° |
| N6 | C7 | N10 | HN1A | 120.0° | 180.0° |
| C7 | C8 | S9 | C11 | 179.8° | 179.8° |
| C7 | C8 | C11 | C12 | 177.7° | 173.4° |
| C7 | C8 | C11 | O18 | 1.0° | 6.5° |
| C8 | C7 | N10 | HN10 | 179.1° | 180.0° |
| C8 | C7 | N10 | HN1A | 60.9° | 0.1° |
| N10 | C7 | C8 | S9 | 179.8° | 179.7° |
| N10 | C7 | C8 | C11 | 0.0° | 0.1° |
| C7 | N10 | HN10 | HN1A | 120.0° | 179.9° |
| S9 | C8 | C11 | C12 | 2.1° | 6.4° |
| S9 | C8 | C11 | O18 | 179.2° | 173.7° |
| C8 | C11 | C12 | O18 | 178.7° | 180.0° |
| C8 | C11 | C12 | C13 | 46.3° | 26.3° |
| C8 | C11 | C12 | C17 | 134.7° | 153.4° |
| C11 | C12 | C13 | C17 | 179.0° | 179.6° |
| C11 | C12 | C13 | C14 | 179.6° | 180.0° |
| C11 | C12 | C17 | N16 | 179.5° | 179.8° |
| C11 | C12 | C13 | H13 | 0.4° | 0.1° |
| C11 | C12 | C17 | H17 | 0.5° | 0.1° |
| O18 | C11 | C12 | C13 | 132.4° | 153.7° |
| O18 | C11 | C12 | C17 | 46.6° | 26.7° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C17 | N16 | 0.5° | 0.6° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C12 | C17 | H17 | 179.4° | 179.8° |
| C17 | C12 | C13 | C14 | 0.6° | 0.3° |
| C12 | C17 | N16 | C15 | 0.2° | 0.6° |
| C12 | C17 | N16 | H17 | 180.0° | 179.7° |
| C17 | C12 | C13 | H13 | 179.4° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | N16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| C14 | C15 | N16 | H15 | 180.0° | 180.0° |
| C14 | C15 | N16 | C17 | 0.2° | 0.3° |
| C15 | C14 | C13 | H13 | 179.8° | 180.0° |
| N16 | C15 | C14 | H14 | 179.8° | 180.0° |
| C15 | N16 | C17 | H17 | 179.8° | 179.8° |
| C17 | N16 | C15 | H15 | 179.8° | 179.7° |
| H1 | C1 | H1A | H1B | 120.0° | 120.1° |
| H1 | C1 | C2 | H2 | 60.7° | 60.0° |
| H1A | C1 | C2 | H2 | 179.3° | 60.0° |
| H1B | C1 | C2 | H2 | 59.3° | 180.0° |
| H2 | C2 | C3 | H3 | 59.0° | 180.0° |
| H2 | C2 | C3 | H3A | 61.0° | 60.1° |
| H2 | C2 | C3 | H3B | 179.0° | 60.0° |
| H2 | C2 | N4 | HN4 | 163.6° | 145.1° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 0.2° | 0.1° |
| H14 | C14 | C15 | H15 | 0.2° | 0.0° |
