O9C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | doub | 1.36Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.42Å | Aromatic |
| N1 | C5 | sing | 1.36Å | 1.38Å | Aromatic |
| N1 | C4 | doub | 1.31Å | 1.30Å | Aromatic |
| C5 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | N | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N2 | doub | 1.34Å | 1.37Å | Aromatic |
| C8 | C15 | sing | 1.42Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.44Å | |
| C4 | O1 | sing | 1.35Å | 1.36Å | Aromatic |
| N | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C9 | sing | 1.31Å | 1.32Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | O1 | sing | 1.35Å | 1.38Å | Aromatic |
| C3 | C17 | doub | 1.40Å | 1.37Å | Aromatic |
| C15 | N4 | doub | 1.34Å | 1.35Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.43Å | Aromatic |
| C17 | C | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C10 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | N3 | sing | 1.39Å | 1.39Å | |
| N3 | C14 | sing | 1.47Å | 1.46Å | |
| N3 | C11 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | O | sing | 1.43Å | 1.42Å | |
| O | C12 | sing | 1.43Å | 1.44Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 119.9° | 120.8° |
| C6 | C7 | C8 | 120.8° | 120.5° |
| C7 | C6 | H2 | 120.1° | 119.6° |
| C6 | C7 | H6 | 119.6° | 119.8° |
| C6 | C5 | N1 | 130.4° | 133.1° |
| C6 | C5 | C16 | 120.4° | 120.2° |
| C5 | C6 | H2 | 120.1° | 119.7° |
| C7 | C8 | N2 | 118.8° | 120.7° |
| C7 | C8 | C15 | 119.5° | 119.7° |
| C8 | C7 | H6 | 119.6° | 119.8° |
| C5 | N1 | C4 | 104.3° | 108.8° |
| N1 | C5 | C16 | 108.7° | 106.8° |
| N1 | C4 | C3 | 128.2° | 125.2° |
| N1 | C4 | O1 | 115.2° | 109.8° |
| C5 | C16 | C15 | 120.6° | 119.6° |
| C5 | C16 | O1 | 107.9° | 106.6° |
| N | C2 | C3 | 123.7° | 120.6° |
| C2 | N | C1 | 117.0° | 121.8° |
| N | C2 | H1 | 118.2° | 119.7° |
| C2 | C3 | C4 | 121.1° | 120.6° |
| C2 | C3 | C17 | 117.8° | 118.9° |
| C3 | C2 | H1 | 118.2° | 119.7° |
| N2 | C8 | C15 | 121.6° | 119.6° |
| C8 | N2 | C9 | 116.9° | 120.0° |
| C8 | C15 | C16 | 118.8° | 119.3° |
| C8 | C15 | N4 | 121.0° | 119.7° |
| C3 | C4 | O1 | 116.4° | 125.0° |
| C4 | C3 | C17 | 120.8° | 120.5° |
| C4 | O1 | C16 | 103.7° | 108.1° |
| N | C1 | C | 123.2° | 121.1° |
| N | C1 | H5 | 118.4° | 119.4° |
| N2 | C9 | C10 | 122.0° | 120.6° |
| N2 | C9 | H7 | 119.0° | 119.7° |
| C15 | C16 | O1 | 131.2° | 133.7° |
| C16 | C15 | N4 | 120.1° | 121.1° |
| C3 | C17 | C | 119.9° | 118.3° |
| C3 | C17 | H3 | 120.0° | 120.9° |
| C15 | N4 | C10 | 117.8° | 119.8° |
| C1 | C | C17 | 118.4° | 119.3° |
| C1 | C | H4 | 120.8° | 120.4° |
| C | C1 | H5 | 118.4° | 119.4° |
| C9 | C10 | N4 | 120.6° | 120.4° |
| C9 | C10 | N3 | 122.2° | 119.8° |
| C10 | C9 | H7 | 119.0° | 119.7° |
| C | C17 | H3 | 120.0° | 120.8° |
| C17 | C | H4 | 120.8° | 120.4° |
| N4 | C10 | N3 | 117.2° | 119.8° |
| C10 | N3 | C14 | 121.8° | 111.0° |
| C10 | N3 | C11 | 121.4° | 111.0° |
| C14 | N3 | C11 | 110.4° | 110.7° |
| N3 | C14 | C13 | 109.9° | 109.3° |
| N3 | C14 | H8 | 109.4° | 109.5° |
| N3 | C14 | H9 | 109.4° | 109.5° |
| N3 | C11 | C12 | 109.1° | 109.3° |
| N3 | C11 | H14 | 109.6° | 109.5° |
| N3 | C11 | H15 | 109.6° | 109.5° |
| C14 | C13 | O | 111.7° | 109.3° |
| C13 | C14 | H8 | 109.4° | 109.6° |
| C13 | C14 | H9 | 109.4° | 109.5° |
| C14 | C13 | H10 | 108.9° | 109.5° |
| C14 | C13 | H11 | 108.9° | 109.6° |
| C11 | C12 | O | 111.6° | 109.2° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C11 | C12 | H13 | 109.0° | 109.5° |
| C12 | C11 | H14 | 109.6° | 109.5° |
| C12 | C11 | H15 | 109.6° | 109.4° |
| C13 | O | C12 | 109.9° | 113.8° |
| O | C13 | H10 | 108.9° | 109.4° |
| O | C13 | H11 | 108.9° | 109.5° |
| O | C12 | H12 | 109.0° | 109.5° |
| O | C12 | H13 | 108.9° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.6° |
| H14 | C11 | H15 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | N1 | 171.7° | 180.0° |
| C7 | C6 | C5 | C16 | 0.3° | 0.0° |
| C6 | C7 | C8 | N2 | 176.5° | 180.0° |
| C6 | C7 | C8 | C15 | 0.1° | 0.1° |
| C5 | C6 | C7 | C8 | 0.6° | 0.1° |
| C6 | C5 | N1 | C16 | 172.2° | 180.0° |
| C6 | C5 | N1 | C4 | 173.5° | 180.0° |
| C6 | C5 | C16 | C15 | 1.5° | 0.0° |
| C6 | C5 | C16 | O1 | 173.7° | 180.0° |
| C5 | C6 | C7 | H6 | 179.4° | 179.9° |
| C7 | C8 | N2 | C15 | 176.5° | 179.9° |
| C7 | C8 | N2 | C9 | 175.7° | 179.9° |
| C7 | C8 | C15 | C16 | 1.1° | 0.1° |
| C7 | C8 | C15 | N4 | 175.8° | 179.9° |
| C8 | C7 | C6 | H2 | 179.5° | 179.9° |
| C5 | N1 | C4 | C3 | 173.5° | 180.0° |
| C5 | N1 | C4 | O1 | 1.6° | 0.0° |
| N1 | C5 | C16 | C15 | 174.7° | 179.9° |
| N1 | C5 | C16 | O1 | 0.5° | 0.0° |
| N1 | C5 | C6 | H2 | 8.3° | 0.0° |
| C4 | N1 | C5 | C16 | 1.2° | 0.0° |
| N1 | C4 | C3 | C2 | 5.1° | 180.0° |
| N1 | C4 | C3 | O1 | 175.0° | 180.0° |
| N1 | C4 | O1 | C16 | 1.3° | 0.0° |
| N1 | C4 | C3 | C17 | 178.0° | 0.0° |
| C5 | C16 | C15 | C8 | 1.9° | 0.0° |
| C5 | C16 | O1 | C4 | 0.4° | 0.0° |
| C5 | C16 | C15 | O1 | 173.9° | 180.0° |
| C5 | C16 | C15 | N4 | 175.0° | 180.0° |
| C16 | C5 | C6 | H2 | 179.7° | 180.0° |
| N | C2 | C3 | H1 | 180.0° | 179.7° |
| N | C2 | C3 | C4 | 170.3° | 180.0° |
| N | C2 | C3 | C17 | 2.8° | 0.0° |
| C2 | N | C1 | C | 2.0° | 0.1° |
| C2 | N | C1 | H5 | 178.0° | 180.0° |
| C2 | C3 | C4 | C17 | 172.9° | 180.0° |
| C2 | C3 | C4 | O1 | 169.9° | 0.0° |
| C3 | C2 | N | C1 | 0.3° | 0.1° |
| C2 | C3 | C17 | C | 3.1° | 0.0° |
| C2 | C3 | C17 | H3 | 176.9° | 180.0° |
| N2 | C8 | C15 | C16 | 177.6° | 180.0° |
| N2 | C8 | C15 | N4 | 0.7° | 0.0° |
| C8 | N2 | C9 | C10 | 0.1° | 0.0° |
| N2 | C8 | C7 | H6 | 3.5° | 0.0° |
| C8 | N2 | C9 | H7 | 179.9° | 179.9° |
| C15 | C8 | N2 | C9 | 0.8° | 0.1° |
| C8 | C15 | C16 | N4 | 176.9° | 180.0° |
| C8 | C15 | C16 | O1 | 172.0° | 180.0° |
| C8 | C15 | N4 | C10 | 0.4° | 0.1° |
| C15 | C8 | C7 | H6 | 179.8° | 179.9° |
| C3 | C4 | O1 | C16 | 174.4° | 180.0° |
| C4 | C3 | C17 | C | 170.1° | 180.0° |
| C4 | C3 | C2 | H1 | 9.7° | 0.3° |
| C4 | C3 | C17 | H3 | 9.9° | 0.0° |
| C4 | O1 | C16 | C15 | 174.9° | 180.0° |
| O1 | C4 | C3 | C17 | 3.0° | 180.0° |
| N | C1 | C | H5 | 180.0° | 179.9° |
| N | C1 | C | C17 | 1.7° | 0.1° |
| C1 | N | C2 | H1 | 179.7° | 179.7° |
| N | C1 | C | H4 | 178.3° | 180.0° |
| N2 | C9 | C10 | H7 | 180.0° | 180.0° |
| N2 | C9 | C10 | N4 | 1.2° | 0.0° |
| N2 | C9 | C10 | N3 | 179.8° | 180.0° |
| C16 | C15 | N4 | C10 | 176.5° | 180.0° |
| O1 | C16 | C15 | N4 | 11.1° | 0.1° |
| C3 | C17 | C | C1 | 1.0° | 0.0° |
| C3 | C17 | C | H3 | 180.0° | 180.0° |
| C17 | C3 | C2 | H1 | 177.2° | 179.7° |
| C3 | C17 | C | H4 | 179.0° | 180.0° |
| C15 | N4 | C10 | C9 | 1.3° | 0.1° |
| C15 | N4 | C10 | N3 | 179.6° | 180.0° |
| C1 | C | C17 | H4 | 180.0° | 179.9° |
| C1 | C | C17 | H3 | 179.0° | 180.0° |
| C9 | C10 | N4 | N3 | 179.1° | 180.0° |
| C9 | C10 | N3 | C14 | 7.8° | 0.0° |
| C9 | C10 | N3 | C11 | 156.9° | 123.6° |
| C17 | C | C1 | H5 | 178.3° | 180.0° |
| N4 | C10 | N3 | C14 | 173.1° | 180.0° |
| N4 | C10 | N3 | C11 | 24.0° | 56.5° |
| N4 | C10 | C9 | H7 | 178.9° | 180.0° |
| C10 | N3 | C14 | C11 | 152.1° | 123.7° |
| C10 | N3 | C14 | C13 | 87.4° | 177.6° |
| C10 | N3 | C11 | C12 | 110.0° | 177.6° |
| N3 | C10 | C9 | H7 | 0.2° | 0.0° |
| C10 | N3 | C14 | H8 | 152.5° | 57.6° |
| C10 | N3 | C14 | H9 | 32.6° | 62.4° |
| C10 | N3 | C11 | H14 | 9.9° | 62.4° |
| C10 | N3 | C11 | H15 | 130.0° | 57.8° |
| N3 | C14 | C13 | H8 | 120.1° | 120.0° |
| N3 | C14 | C13 | H9 | 120.0° | 119.9° |
| C14 | N3 | C11 | C12 | 42.2° | 58.7° |
| N3 | C14 | C13 | O | 19.2° | 56.8° |
| N3 | C14 | H8 | H9 | 119.8° | 120.0° |
| N3 | C14 | C13 | H10 | 139.5° | 63.0° |
| N3 | C14 | C13 | H11 | 101.1° | 176.8° |
| C14 | N3 | C11 | H14 | 162.2° | 61.3° |
| C14 | N3 | C11 | H15 | 77.7° | 178.5° |
| C11 | N3 | C14 | C13 | 64.7° | 58.6° |
| N3 | C11 | C12 | H14 | 119.9° | 120.0° |
| N3 | C11 | C12 | H15 | 120.0° | 119.8° |
| N3 | C11 | C12 | O | 21.1° | 56.9° |
| C11 | N3 | C14 | H8 | 55.3° | 178.6° |
| C11 | N3 | C14 | H9 | 175.2° | 61.3° |
| N3 | C11 | C12 | H12 | 141.4° | 63.0° |
| N3 | C11 | C12 | H13 | 99.2° | 176.9° |
| N3 | C11 | H14 | H15 | 120.1° | 120.1° |
| C14 | C13 | O | H10 | 120.3° | 119.9° |
| C14 | C13 | O | H11 | 120.3° | 120.0° |
| C14 | C13 | O | C12 | 44.1° | 58.6° |
| C13 | C14 | H8 | H9 | 119.8° | 120.1° |
| C14 | C13 | H10 | H11 | 119.0° | 120.1° |
| C11 | C12 | O | C13 | 67.3° | 58.6° |
| C11 | C12 | O | H12 | 120.3° | 119.9° |
| C11 | C12 | O | H13 | 120.3° | 120.0° |
| C11 | C12 | H12 | H13 | 119.1° | 120.2° |
| C12 | C11 | H14 | H15 | 120.2° | 120.1° |
| O | C13 | C14 | H8 | 100.9° | 176.7° |
| O | C13 | C14 | H9 | 139.2° | 63.1° |
| O | C13 | H10 | H11 | 119.0° | 120.1° |
| C13 | O | C12 | H12 | 172.4° | 61.3° |
| C13 | O | C12 | H13 | 53.0° | 178.6° |
| C12 | O | C13 | H10 | 76.2° | 61.3° |
| C12 | O | C13 | H11 | 164.4° | 178.6° |
| O | C12 | H12 | H13 | 119.0° | 120.1° |
| O | C12 | C11 | H14 | 98.8° | 63.1° |
| O | C12 | C11 | H15 | 141.1° | 176.7° |
| H2 | C6 | C7 | H6 | 0.6° | 0.1° |
| H3 | C17 | C | H4 | 1.0° | 0.0° |
| H4 | C | C1 | H5 | 1.7° | 0.1° |
| H8 | C14 | C13 | H10 | 19.4° | 56.9° |
| H8 | C14 | C13 | H11 | 138.8° | 63.2° |
| H9 | C14 | C13 | H10 | 100.5° | 177.1° |
| H9 | C14 | C13 | H11 | 18.9° | 56.9° |
| H12 | C12 | C11 | H14 | 21.5° | 177.0° |
| H12 | C12 | C11 | H15 | 98.6° | 56.9° |
| H13 | C12 | C11 | H14 | 140.9° | 56.9° |
| H13 | C12 | C11 | H15 | 20.8° | 63.3° |
