76Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C16 | doub | 1.22Å | 1.22Å | |
| C16 | N2 | sing | 1.35Å | 1.33Å | |
| C16 | C12 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C11 | N | sing | 1.35Å | 1.34Å | Aromatic |
| C12 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| N | C10 | sing | 1.46Å | 1.46Å | |
| N | C13 | sing | 1.38Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| N1 | C13 | doub | 1.30Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.40Å | |
| C9 | O1 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C8 | sing | 1.41Å | 1.40Å | Aromatic |
| O1 | C8 | sing | 1.35Å | 1.37Å | |
| C15 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.43Å | 1.29Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | trip | 1.17Å | 1.18Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C3 | C1 | sing | 1.47Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O | sing | 1.43Å | 1.43Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C16 | N2 | 122.3° | 120.0° |
| O2 | C16 | C12 | 119.4° | 120.0° |
| N2 | C16 | C12 | 118.3° | 120.0° |
| C16 | N2 | H8 | 120.0° | 120.0° |
| C16 | N2 | H9 | 120.0° | 119.9° |
| C16 | C12 | C11 | 128.9° | 126.0° |
| C16 | C12 | N1 | 124.2° | 126.0° |
| C12 | C11 | N | 107.6° | 106.9° |
| C11 | C12 | N1 | 106.8° | 108.0° |
| C12 | C11 | H2 | 126.2° | 126.5° |
| C11 | N | C10 | 122.8° | 129.5° |
| C11 | N | C13 | 108.7° | 107.3° |
| N | C11 | H2 | 126.2° | 126.5° |
| C12 | N1 | C13 | 109.8° | 108.9° |
| C10 | N | C13 | 128.5° | 123.2° |
| N | C10 | C9 | 110.7° | 110.2° |
| N | C10 | H6 | 109.2° | 109.3° |
| N | C10 | H7 | 109.2° | 109.2° |
| N | C13 | N1 | 107.0° | 108.9° |
| N | C13 | C14 | 131.2° | 121.0° |
| C10 | C9 | O1 | 105.9° | 110.8° |
| C10 | C9 | H4 | 110.4° | 109.2° |
| C10 | C9 | H5 | 110.4° | 109.2° |
| C9 | C10 | H6 | 109.2° | 109.4° |
| C9 | C10 | H7 | 109.2° | 109.4° |
| N1 | C13 | C14 | 121.8° | 130.1° |
| C13 | C14 | C15 | 116.4° | 122.6° |
| C13 | C14 | C8 | 125.2° | 116.9° |
| C9 | O1 | C8 | 120.7° | 120.6° |
| O1 | C9 | H4 | 110.4° | 109.2° |
| O1 | C9 | H5 | 110.4° | 109.2° |
| C15 | C14 | C8 | 118.4° | 120.4° |
| C14 | C15 | C5 | 122.0° | 119.4° |
| C14 | C15 | H10 | 119.0° | 120.3° |
| C14 | C8 | O1 | 123.5° | 118.3° |
| C14 | C8 | C7 | 119.6° | 119.7° |
| O1 | C8 | C7 | 116.9° | 122.0° |
| C15 | C5 | C4 | 118.7° | 120.1° |
| C15 | C5 | C6 | 119.3° | 119.9° |
| C5 | C15 | H10 | 119.0° | 120.3° |
| C8 | C7 | C6 | 120.8° | 120.0° |
| C8 | C7 | H3 | 119.6° | 120.0° |
| C4 | C5 | C6 | 122.0° | 120.0° |
| C5 | C4 | C3 | 177.9° | 180.0° |
| C5 | C6 | C7 | 120.0° | 120.5° |
| C5 | C6 | H1 | 120.0° | 119.7° |
| C7 | C6 | H1 | 120.0° | 119.8° |
| C6 | C7 | H3 | 119.6° | 119.9° |
| C4 | C3 | C1 | 177.2° | 180.0° |
| C | C1 | C3 | 109.8° | 109.5° |
| C | C1 | C2 | 110.9° | 109.5° |
| C | C1 | O | 107.7° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.4° | 109.5° |
| C1 | C | H17 | 109.4° | 109.5° |
| C3 | C1 | C2 | 110.3° | 109.5° |
| C3 | C1 | O | 109.1° | 109.5° |
| C2 | C1 | O | 109.0° | 109.5° |
| C1 | C2 | H12 | 109.5° | 109.5° |
| C1 | C2 | H13 | 109.5° | 109.5° |
| C1 | C2 | H14 | 109.4° | 109.5° |
| C1 | O | H11 | 109.5° | 114.0° |
| H4 | C9 | H5 | 109.5° | 109.2° |
| H6 | C10 | H7 | 109.5° | 109.3° |
| H8 | N2 | H9 | 120.0° | 120.0° |
| H12 | C2 | H13 | 109.4° | 109.5° |
| H12 | C2 | H14 | 109.5° | 109.4° |
| H13 | C2 | H14 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.4° |
| H15 | C | H17 | 109.4° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C16 | N2 | C12 | 179.8° | 179.9° |
| O2 | C16 | C12 | C11 | 5.3° | 0.0° |
| O2 | C16 | C12 | N1 | 174.6° | 180.0° |
| O2 | C16 | N2 | H8 | 0.0° | 0.1° |
| O2 | C16 | N2 | H9 | 180.0° | 180.0° |
| N2 | C16 | C12 | C11 | 174.9° | 179.9° |
| N2 | C16 | C12 | N1 | 5.2° | 0.1° |
| C16 | N2 | H8 | H9 | 180.0° | 179.9° |
| C16 | C12 | C11 | N1 | 179.9° | 180.0° |
| C16 | C12 | C11 | N | 179.9° | 179.8° |
| C16 | C12 | N1 | C13 | 179.8° | 179.7° |
| C16 | C12 | C11 | H2 | 0.1° | 0.2° |
| C12 | C16 | N2 | H8 | 179.8° | 180.0° |
| C12 | C16 | N2 | H9 | 0.3° | 0.1° |
| C12 | C11 | N | H2 | 180.0° | 180.0° |
| C12 | C11 | N | C10 | 179.8° | 179.0° |
| C12 | C11 | N | C13 | 0.3° | 0.6° |
| C11 | C12 | N1 | C13 | 0.1° | 0.3° |
| N | C11 | C12 | N1 | 0.2° | 0.2° |
| C11 | N | C10 | C13 | 179.3° | 179.5° |
| C11 | N | C10 | C9 | 145.0° | 111.2° |
| C11 | N | C13 | N1 | 0.4° | 0.7° |
| C11 | N | C13 | C14 | 179.7° | 179.2° |
| C11 | N | C10 | H6 | 94.8° | 9.0° |
| C11 | N | C10 | H7 | 24.9° | 128.6° |
| C12 | N1 | C13 | N | 0.3° | 0.6° |
| C12 | N1 | C13 | C14 | 179.7° | 179.3° |
| N1 | C12 | C11 | H2 | 179.8° | 179.8° |
| N | C10 | C9 | H6 | 120.2° | 120.2° |
| N | C10 | C9 | H7 | 120.2° | 120.1° |
| C10 | N | C13 | N1 | 179.8° | 178.9° |
| C10 | N | C13 | C14 | 0.9° | 1.2° |
| N | C10 | C9 | O1 | 77.4° | 43.3° |
| C10 | N | C11 | H2 | 0.2° | 1.0° |
| N | C10 | C9 | H4 | 163.2° | 163.6° |
| N | C10 | C9 | H5 | 42.0° | 77.0° |
| N | C10 | H6 | H7 | 119.5° | 119.5° |
| C13 | N | C10 | C9 | 35.6° | 69.3° |
| N | C13 | N1 | C14 | 179.4° | 179.9° |
| N | C13 | C14 | C15 | 179.7° | 134.1° |
| N | C13 | C14 | C8 | 0.7° | 43.7° |
| C13 | N | C11 | H2 | 179.6° | 179.4° |
| C13 | N | C10 | H6 | 84.5° | 170.5° |
| C13 | N | C10 | H7 | 155.8° | 50.9° |
| C10 | C9 | O1 | H4 | 119.4° | 120.3° |
| C10 | C9 | O1 | H5 | 119.4° | 120.3° |
| C10 | C9 | O1 | C8 | 87.3° | 45.3° |
| C10 | C9 | H4 | H5 | 121.7° | 119.4° |
| C9 | C10 | H6 | H7 | 119.5° | 119.8° |
| N1 | C13 | C14 | C15 | 0.4° | 46.0° |
| N1 | C13 | C14 | C8 | 179.9° | 136.2° |
| C13 | C14 | C15 | C8 | 179.7° | 177.8° |
| C13 | C14 | C8 | O1 | 0.1° | 6.8° |
| C13 | C14 | C15 | C5 | 179.1° | 176.3° |
| C13 | C14 | C8 | C7 | 179.4° | 175.7° |
| C13 | C14 | C15 | H10 | 0.9° | 3.8° |
| C9 | O1 | C8 | C14 | 42.2° | 79.7° |
| C9 | O1 | C8 | C7 | 138.2° | 102.8° |
| O1 | C9 | H4 | H5 | 121.7° | 119.3° |
| O1 | C9 | C10 | H6 | 42.8° | 163.5° |
| O1 | C9 | C10 | H7 | 162.4° | 76.8° |
| C15 | C14 | C8 | O1 | 179.8° | 175.3° |
| C14 | C15 | C5 | H10 | 180.0° | 180.0° |
| C15 | C14 | C8 | C7 | 0.2° | 2.2° |
| C14 | C15 | C5 | C4 | 179.1° | 180.0° |
| C14 | C15 | C5 | C6 | 0.9° | 0.0° |
| C14 | C8 | O1 | C7 | 179.6° | 177.5° |
| C8 | C14 | C15 | C5 | 0.5° | 1.5° |
| C14 | C8 | C7 | C6 | 0.2° | 1.5° |
| C14 | C8 | C7 | H3 | 179.9° | 178.6° |
| C8 | C14 | C15 | H10 | 179.5° | 178.5° |
| O1 | C8 | C7 | C6 | 179.8° | 176.0° |
| O1 | C8 | C7 | H3 | 0.2° | 4.0° |
| C8 | O1 | C9 | H4 | 153.3° | 75.1° |
| C8 | O1 | C9 | H5 | 32.2° | 165.6° |
| C15 | C5 | C4 | C6 | 178.2° | 180.0° |
| C15 | C5 | C6 | C7 | 0.8° | 0.7° |
| C15 | C5 | C4 | C3 | 129.8° | 18.2° |
| C15 | C5 | C6 | H1 | 179.2° | 179.2° |
| C8 | C7 | C6 | C5 | 0.5° | 0.0° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C8 | C7 | C6 | H1 | 179.5° | 180.0° |
| C4 | C5 | C6 | C7 | 179.0° | 179.3° |
| C5 | C4 | C3 | C1 | 85.9° | 9.2° |
| C4 | C5 | C6 | H1 | 1.0° | 0.8° |
| C4 | C5 | C15 | H10 | 0.9° | 0.0° |
| C5 | C6 | C7 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 48.3° | 161.8° |
| C5 | C6 | C7 | H3 | 179.5° | 180.0° |
| C6 | C5 | C15 | H10 | 179.1° | 179.9° |
| C4 | C3 | C1 | C | 6.4° | 111.0° |
| C4 | C3 | C1 | C2 | 128.9° | 9.0° |
| C4 | C3 | C1 | O | 111.5° | 129.0° |
| C | C1 | C3 | C2 | 122.5° | 120.0° |
| C | C1 | C3 | O | 117.8° | 120.0° |
| C | C1 | C2 | O | 118.5° | 120.0° |
| C | C1 | O | H11 | 180.0° | 60.0° |
| C | C1 | C2 | H12 | 180.0° | 60.0° |
| C | C1 | C2 | H13 | 60.0° | 60.0° |
| C | C1 | C2 | H14 | 60.0° | 180.0° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C3 | C1 | C2 | O | 119.7° | 120.0° |
| C3 | C1 | O | H11 | 60.9° | 60.0° |
| C3 | C1 | C2 | H12 | 58.2° | 60.0° |
| C3 | C1 | C2 | H13 | 178.2° | 180.0° |
| C3 | C1 | C2 | H14 | 61.8° | 59.9° |
| C3 | C1 | C | H15 | 180.0° | 60.0° |
| C3 | C1 | C | H16 | 60.0° | 180.0° |
| C3 | C1 | C | H17 | 60.0° | 60.0° |
| C2 | C1 | O | H11 | 59.5° | 180.0° |
| C1 | C2 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | H12 | H14 | 120.0° | 120.0° |
| C1 | C2 | H13 | H14 | 120.0° | 120.0° |
| C2 | C1 | C | H15 | 57.9° | 180.0° |
| C2 | C1 | C | H16 | 177.9° | 60.0° |
| C2 | C1 | C | H17 | 62.1° | 60.0° |
| O | C1 | C2 | H12 | 61.5° | 180.0° |
| O | C1 | C2 | H13 | 58.5° | 60.0° |
| O | C1 | C2 | H14 | 178.5° | 60.1° |
| O | C1 | C | H15 | 61.4° | 60.0° |
| O | C1 | C | H16 | 58.7° | 60.0° |
| O | C1 | C | H17 | 178.7° | 180.0° |
| H1 | C6 | C7 | H3 | 0.5° | 0.1° |
| H4 | C9 | C10 | H6 | 76.7° | 76.2° |
| H4 | C9 | C10 | H7 | 43.0° | 43.5° |
| H5 | C9 | C10 | H6 | 162.2° | 43.2° |
| H5 | C9 | C10 | H7 | 78.1° | 162.9° |
| H12 | C2 | H13 | H14 | 120.0° | 120.0° |
| H15 | C | H16 | H17 | 120.0° | 120.0° |
