C07
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C16 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C15 | sing | 1.33Å | 1.35Å | Aromatic |
| C16 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| N1 | C15 | sing | 1.38Å | 1.35Å | |
| C15 | C14 | doub | 1.41Å | 1.48Å | Aromatic |
| N3 | C17 | doub | 1.33Å | 1.35Å | Aromatic |
| C14 | C17 | sing | 1.41Å | 1.48Å | Aromatic |
| C14 | C9 | sing | 1.42Å | 1.48Å | |
| C17 | N | sing | 1.37Å | 1.42Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.48Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | doub | 1.35Å | 1.48Å | |
| N | C2 | sing | 1.40Å | 1.40Å | |
| N | C7 | sing | 1.34Å | 1.34Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | O | sing | 1.36Å | 1.36Å | |
| C7 | C8 | sing | 1.42Å | 1.49Å | |
| C7 | O1 | doub | 1.22Å | 1.32Å | |
| C8 | C13 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| O | H13 | sing | 0.97Å | 0.95Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N2 | C15 | 121.7° | 121.1° |
| N2 | C16 | N3 | 123.7° | 122.8° |
| N2 | C16 | H9 | 118.2° | 118.6° |
| N2 | C15 | N1 | 121.9° | 120.9° |
| N2 | C15 | C14 | 117.5° | 118.2° |
| C16 | N3 | C17 | 121.5° | 120.6° |
| N3 | C16 | H9 | 118.2° | 118.6° |
| N1 | C15 | C14 | 120.6° | 120.9° |
| C15 | N1 | H10 | 109.5° | 120.0° |
| C15 | N1 | H11 | 109.4° | 120.0° |
| C15 | C14 | C17 | 117.9° | 118.4° |
| C15 | C14 | C9 | 122.7° | 121.4° |
| N3 | C17 | C14 | 117.6° | 118.9° |
| N3 | C17 | N | 122.0° | 121.8° |
| C17 | C14 | C9 | 119.3° | 120.1° |
| C14 | C17 | N | 120.3° | 119.4° |
| C14 | C9 | C10 | 121.2° | 118.1° |
| C14 | C9 | C8 | 117.2° | 118.9° |
| C17 | N | C2 | 120.7° | 119.8° |
| C17 | N | C7 | 122.2° | 120.2° |
| C | C1 | C6 | 121.1° | 120.0° |
| C | C1 | C2 | 119.8° | 120.0° |
| C1 | C | H16 | 109.5° | 109.4° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.5° |
| C6 | C1 | C2 | 119.1° | 120.1° |
| C1 | C6 | C5 | 118.9° | 120.1° |
| C1 | C6 | H15 | 120.5° | 119.9° |
| C1 | C2 | N | 120.4° | 120.1° |
| C1 | C2 | C3 | 119.7° | 119.9° |
| C6 | C5 | C4 | 121.9° | 120.1° |
| C6 | C5 | H14 | 119.0° | 120.0° |
| C5 | C6 | H15 | 120.5° | 120.0° |
| C9 | C10 | C11 | 107.5° | 110.7° |
| C10 | C9 | C8 | 121.6° | 123.0° |
| C9 | C10 | H7 | 110.0° | 109.2° |
| C9 | C10 | H8 | 110.0° | 109.3° |
| C10 | C11 | C12 | 108.9° | 108.2° |
| C10 | C11 | H5 | 109.6° | 109.7° |
| C10 | C11 | H6 | 109.6° | 109.8° |
| C11 | C10 | H7 | 110.0° | 109.2° |
| C11 | C10 | H8 | 110.0° | 109.2° |
| C9 | C8 | C7 | 119.0° | 119.7° |
| C9 | C8 | C13 | 121.5° | 122.7° |
| C2 | N | C7 | 117.1° | 120.0° |
| N | C2 | C3 | 119.9° | 120.0° |
| N | C7 | C8 | 122.0° | 121.7° |
| N | C7 | O1 | 118.7° | 119.1° |
| C2 | C3 | C4 | 119.6° | 119.9° |
| C2 | C3 | H12 | 120.2° | 120.1° |
| C5 | C4 | C3 | 120.8° | 119.9° |
| C5 | C4 | O | 119.9° | 120.0° |
| C4 | C5 | H14 | 119.0° | 119.9° |
| C3 | C4 | O | 119.3° | 120.0° |
| C4 | C3 | H12 | 120.2° | 120.1° |
| C4 | O | H13 | 109.5° | 114.1° |
| C8 | C7 | O1 | 119.3° | 119.1° |
| C7 | C8 | C13 | 119.5° | 117.6° |
| C8 | C13 | C12 | 111.9° | 110.8° |
| C8 | C13 | H1 | 108.8° | 109.2° |
| C8 | C13 | H2 | 108.9° | 109.2° |
| C11 | C12 | C13 | 112.5° | 108.3° |
| C11 | C12 | H3 | 108.7° | 109.7° |
| C11 | C12 | H4 | 108.7° | 109.7° |
| C12 | C11 | H5 | 109.6° | 109.7° |
| C12 | C11 | H6 | 109.6° | 109.7° |
| C12 | C13 | H1 | 108.9° | 109.3° |
| C12 | C13 | H2 | 108.9° | 109.2° |
| C13 | C12 | H3 | 108.7° | 109.7° |
| C13 | C12 | H4 | 108.7° | 109.7° |
| H1 | C13 | H2 | 109.5° | 109.2° |
| H3 | C12 | H4 | 109.4° | 109.8° |
| H5 | C11 | H6 | 109.5° | 109.7° |
| H7 | C10 | H8 | 109.5° | 109.2° |
| H10 | N1 | H11 | 109.5° | 120.1° |
| H16 | C | H17 | 109.5° | 109.4° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C16 | N3 | H9 | 180.0° | 180.0° |
| C16 | N2 | C15 | N1 | 179.9° | 180.0° |
| C16 | N2 | C15 | C14 | 0.5° | 0.6° |
| N2 | C16 | N3 | C17 | 0.2° | 0.0° |
| C15 | N2 | C16 | N3 | 0.3° | 0.3° |
| N2 | C15 | N1 | C14 | 179.4° | 179.5° |
| N2 | C15 | C14 | C17 | 0.5° | 0.6° |
| N2 | C15 | C14 | C9 | 179.9° | 179.7° |
| C15 | N2 | C16 | H9 | 179.7° | 179.7° |
| N2 | C15 | N1 | H10 | 0.0° | 45.4° |
| N2 | C15 | N1 | H11 | 120.0° | 134.6° |
| C16 | N3 | C17 | C14 | 0.2° | 0.0° |
| C16 | N3 | C17 | N | 180.0° | 179.8° |
| N1 | C15 | C14 | C17 | 179.9° | 180.0° |
| N1 | C15 | C14 | C9 | 0.7° | 0.2° |
| C15 | N1 | H10 | H11 | 120.0° | 180.0° |
| C15 | C14 | C17 | N3 | 0.4° | 0.3° |
| C15 | C14 | C17 | C9 | 179.3° | 179.8° |
| C15 | C14 | C17 | N | 179.9° | 179.9° |
| C15 | C14 | C9 | C10 | 0.0° | 0.7° |
| C15 | C14 | C9 | C8 | 179.6° | 179.3° |
| C14 | C15 | N1 | H10 | 179.4° | 135.1° |
| C14 | C15 | N1 | H11 | 60.6° | 44.9° |
| N3 | C17 | C14 | N | 179.7° | 179.7° |
| N3 | C17 | C14 | C9 | 179.7° | 179.9° |
| N3 | C17 | N | C2 | 0.2° | 0.1° |
| N3 | C17 | N | C7 | 179.8° | 179.6° |
| C17 | N3 | C16 | H9 | 179.8° | 180.0° |
| C17 | C14 | C9 | C10 | 179.3° | 179.5° |
| C17 | C14 | C9 | C8 | 0.3° | 0.4° |
| C14 | C17 | N | C2 | 179.9° | 179.8° |
| C14 | C17 | N | C7 | 0.5° | 0.7° |
| C9 | C14 | C17 | N | 0.5° | 0.2° |
| C14 | C9 | C10 | C8 | 179.6° | 179.9° |
| C14 | C9 | C10 | C11 | 152.1° | 162.4° |
| C14 | C9 | C8 | C7 | 0.0° | 0.5° |
| C14 | C9 | C8 | C13 | 180.0° | 179.2° |
| C14 | C9 | C10 | H7 | 88.2° | 42.1° |
| C14 | C9 | C10 | H8 | 32.4° | 77.3° |
| C17 | N | C2 | C1 | 71.8° | 90.3° |
| C17 | N | C2 | C7 | 179.6° | 179.5° |
| C17 | N | C2 | C3 | 109.0° | 90.0° |
| C17 | N | C7 | C8 | 0.2° | 0.6° |
| C17 | N | C7 | O1 | 179.9° | 179.7° |
| C | C1 | C6 | C2 | 179.8° | 179.5° |
| C | C1 | C6 | C5 | 179.7° | 180.0° |
| C | C1 | C2 | N | 0.8° | 0.3° |
| C | C1 | C2 | C3 | 180.0° | 180.0° |
| C | C1 | C6 | H15 | 0.3° | 0.3° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 120.1° |
| C1 | C6 | C5 | H15 | 180.0° | 179.7° |
| C6 | C1 | C2 | N | 179.4° | 179.8° |
| C6 | C1 | C2 | C3 | 0.2° | 0.6° |
| C1 | C6 | C5 | C4 | 0.1° | 0.2° |
| C1 | C6 | C5 | H14 | 179.9° | 179.8° |
| C6 | C1 | C | H16 | 89.9° | 90.0° |
| C6 | C1 | C | H17 | 150.1° | 150.0° |
| C6 | C1 | C | H18 | 30.1° | 30.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.5° |
| C1 | C2 | N | C3 | 179.2° | 179.6° |
| C1 | C2 | N | C7 | 108.6° | 89.2° |
| C1 | C2 | C3 | C4 | 0.5° | 0.3° |
| C1 | C2 | C3 | H12 | 179.5° | 179.8° |
| C2 | C1 | C6 | H15 | 179.9° | 179.7° |
| C2 | C1 | C | H16 | 89.9° | 90.5° |
| C2 | C1 | C | H17 | 30.1° | 29.4° |
| C2 | C1 | C | H18 | 150.1° | 149.5° |
| C6 | C5 | C4 | H14 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C6 | C5 | C4 | O | 179.4° | 179.9° |
| C9 | C10 | C11 | H7 | 119.7° | 120.3° |
| C9 | C10 | C11 | H8 | 119.7° | 120.3° |
| C10 | C9 | C8 | C7 | 179.6° | 179.4° |
| C10 | C9 | C8 | C13 | 0.4° | 0.8° |
| C9 | C10 | C11 | C12 | 60.0° | 50.6° |
| C9 | C10 | C11 | H5 | 179.9° | 69.1° |
| C9 | C10 | C11 | H6 | 60.0° | 170.3° |
| C9 | C10 | H7 | H8 | 120.9° | 119.4° |
| C11 | C10 | C9 | C8 | 27.5° | 17.7° |
| C10 | C11 | C12 | H5 | 119.9° | 119.7° |
| C10 | C11 | C12 | H6 | 119.9° | 119.7° |
| C10 | C11 | C12 | C13 | 68.7° | 69.1° |
| C10 | C11 | C12 | H3 | 51.7° | 171.3° |
| C10 | C11 | C12 | H4 | 170.8° | 50.6° |
| C10 | C11 | H5 | H6 | 120.3° | 120.6° |
| C11 | C10 | H7 | H8 | 120.9° | 119.4° |
| C9 | C8 | C7 | N | 0.1° | 0.0° |
| C9 | C8 | C7 | C13 | 180.0° | 179.7° |
| C9 | C8 | C7 | O1 | 179.8° | 179.7° |
| C9 | C8 | C13 | C12 | 4.1° | 18.0° |
| C9 | C8 | C13 | H1 | 116.2° | 102.4° |
| C9 | C8 | C13 | H2 | 124.5° | 138.3° |
| C8 | C9 | C10 | H7 | 92.2° | 138.0° |
| C8 | C9 | C10 | H8 | 147.2° | 102.6° |
| N | C2 | C3 | C4 | 179.7° | 180.0° |
| C2 | N | C7 | C8 | 179.8° | 179.9° |
| C2 | N | C7 | O1 | 0.3° | 0.2° |
| N | C2 | C3 | H12 | 0.3° | 0.2° |
| C7 | N | C2 | C3 | 70.6° | 90.4° |
| N | C7 | C8 | O1 | 179.9° | 179.7° |
| N | C7 | C8 | C13 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | H12 | 180.0° | 179.9° |
| C2 | C3 | C4 | O | 179.7° | 180.0° |
| C5 | C4 | C3 | O | 179.3° | 179.9° |
| C5 | C4 | C3 | H12 | 179.5° | 179.9° |
| C5 | C4 | O | H13 | 180.0° | 90.0° |
| C4 | C5 | C6 | H15 | 179.9° | 180.0° |
| C3 | C4 | O | H13 | 0.8° | 90.0° |
| C3 | C4 | C5 | H14 | 179.8° | 180.0° |
| O | C4 | C3 | H12 | 0.2° | 0.1° |
| O | C4 | C5 | H14 | 0.6° | 0.1° |
| C7 | C8 | C13 | C12 | 175.8° | 162.3° |
| C7 | C8 | C13 | H1 | 63.8° | 77.3° |
| C7 | C8 | C13 | H2 | 55.5° | 42.0° |
| O1 | C7 | C8 | C13 | 0.1° | 0.6° |
| C8 | C13 | C12 | C11 | 37.6° | 50.9° |
| C8 | C13 | C12 | H1 | 120.3° | 120.3° |
| C8 | C13 | C12 | H2 | 120.3° | 120.3° |
| C8 | C13 | H1 | H2 | 118.9° | 119.3° |
| C8 | C13 | C12 | H3 | 82.9° | 170.6° |
| C8 | C13 | C12 | H4 | 158.0° | 68.8° |
| C11 | C12 | C13 | H3 | 120.5° | 119.6° |
| C11 | C12 | C13 | H4 | 120.5° | 119.7° |
| C11 | C12 | C13 | H1 | 82.8° | 69.4° |
| C11 | C12 | C13 | H2 | 157.9° | 171.3° |
| C11 | C12 | H3 | H4 | 118.6° | 120.6° |
| C12 | C11 | H5 | H6 | 120.2° | 120.6° |
| C12 | C11 | C10 | H7 | 59.8° | 170.9° |
| C12 | C11 | C10 | H8 | 179.6° | 69.7° |
| C12 | C13 | H1 | H2 | 118.9° | 119.4° |
| C13 | C12 | H3 | H4 | 118.6° | 120.6° |
| C13 | C12 | C11 | H5 | 171.3° | 50.6° |
| C13 | C12 | C11 | H6 | 51.2° | 171.2° |
| H1 | C13 | C12 | H3 | 156.8° | 50.3° |
| H1 | C13 | C12 | H4 | 37.7° | 170.9° |
| H2 | C13 | C12 | H3 | 37.5° | 69.1° |
| H2 | C13 | C12 | H4 | 81.6° | 51.5° |
| H3 | C12 | C11 | H5 | 68.2° | 69.1° |
| H3 | C12 | C11 | H6 | 171.7° | 51.5° |
| H4 | C12 | C11 | H5 | 50.9° | 170.3° |
| H4 | C12 | C11 | H6 | 69.3° | 69.1° |
| H5 | C11 | C10 | H7 | 60.1° | 51.2° |
| H5 | C11 | C10 | H8 | 60.4° | 170.6° |
| H6 | C11 | C10 | H7 | 179.7° | 69.4° |
| H6 | C11 | C10 | H8 | 59.7° | 50.0° |
| H14 | C5 | C6 | H15 | 0.1° | 0.0° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
