C09
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.36Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.36Å | 1.40Å | Aromatic |
| C12 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.42Å | 1.48Å | Aromatic |
| C1 | N1 | sing | 1.34Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.46Å | 1.37Å | Aromatic |
| N1 | C | doub | 1.31Å | 1.36Å | Aromatic |
| C3 | N3 | sing | 1.37Å | 1.33Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.46Å | Aromatic |
| C | C4 | sing | 1.41Å | 1.48Å | Aromatic |
| C | N | sing | 1.38Å | 1.36Å | |
| N3 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
| C4 | N2 | sing | 1.36Å | 1.35Å | Aromatic |
| C5 | N2 | doub | 1.30Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | O | sing | 1.43Å | 1.41Å | |
| O | C6 | sing | 1.43Å | 1.41Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 121.5° | 121.0° |
| C11 | C10 | C9 | 121.1° | 120.7° |
| C11 | C10 | H13 | 119.4° | 119.7° |
| C10 | C11 | H14 | 119.2° | 119.5° |
| C11 | C12 | C1 | 119.9° | 119.9° |
| C12 | C11 | H14 | 119.3° | 119.5° |
| C11 | C12 | H15 | 120.1° | 120.1° |
| C10 | C9 | C2 | 118.7° | 119.7° |
| C10 | C9 | H12 | 120.7° | 120.2° |
| C9 | C10 | H13 | 119.4° | 119.6° |
| C12 | C1 | C2 | 118.2° | 118.9° |
| C12 | C1 | N1 | 120.7° | 120.9° |
| C1 | C12 | H15 | 120.1° | 120.1° |
| C9 | C2 | C1 | 120.7° | 119.8° |
| C9 | C2 | C3 | 122.5° | 121.9° |
| C2 | C9 | H12 | 120.6° | 120.1° |
| C2 | C1 | N1 | 121.1° | 120.1° |
| C1 | C2 | C3 | 116.8° | 118.4° |
| C1 | N1 | C | 123.7° | 122.8° |
| C2 | C3 | N3 | 128.7° | 135.6° |
| C2 | C3 | C4 | 122.2° | 118.0° |
| N1 | C | C4 | 118.3° | 121.8° |
| N1 | C | N | 121.8° | 119.1° |
| N3 | C3 | C4 | 109.1° | 106.5° |
| C3 | N3 | C5 | 106.0° | 107.4° |
| C3 | N3 | H3 | 127.0° | 126.3° |
| C3 | C4 | C | 117.8° | 119.0° |
| C3 | C4 | N2 | 105.4° | 106.9° |
| C4 | C | N | 119.9° | 119.2° |
| C | C4 | N2 | 136.8° | 134.1° |
| C | N | H1 | 109.5° | 120.0° |
| C | N | H2 | 109.4° | 120.0° |
| N3 | C5 | N2 | 112.4° | 109.8° |
| N3 | C5 | C6 | 123.4° | 125.1° |
| C5 | N3 | H3 | 127.0° | 126.3° |
| C4 | N2 | C5 | 107.1° | 109.5° |
| N2 | C5 | C6 | 124.2° | 125.0° |
| C5 | C6 | O | 103.7° | 109.4° |
| C5 | C6 | H4 | 110.9° | 109.5° |
| C5 | C6 | H5 | 110.9° | 109.5° |
| C8 | C7 | O | 111.4° | 109.5° |
| C8 | C7 | H6 | 109.0° | 109.5° |
| C8 | C7 | H7 | 109.0° | 109.4° |
| C7 | C8 | H8 | 109.5° | 109.4° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| C7 | O | C6 | 109.9° | 114.0° |
| O | C7 | H6 | 109.0° | 109.5° |
| O | C7 | H7 | 109.0° | 109.5° |
| O | C6 | H4 | 110.9° | 109.5° |
| O | C6 | H5 | 110.9° | 109.4° |
| H1 | N | H2 | 109.4° | 120.0° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H8 | C8 | H9 | 109.4° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H14 | 180.0° | 180.0° |
| C11 | C10 | C9 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | C1 | 1.1° | 0.0° |
| C11 | C10 | C9 | C2 | 0.6° | 0.0° |
| C11 | C10 | C9 | H12 | 179.3° | 180.0° |
| C10 | C11 | C12 | H15 | 178.9° | 179.9° |
| C12 | C11 | C10 | C9 | 1.3° | 0.0° |
| C11 | C12 | C1 | H15 | 180.0° | 179.9° |
| C11 | C12 | C1 | C2 | 0.2° | 0.0° |
| C11 | C12 | C1 | N1 | 179.7° | 179.8° |
| C12 | C11 | C10 | H13 | 178.6° | 180.0° |
| C10 | C9 | C2 | H12 | 180.0° | 180.0° |
| C10 | C9 | C2 | C1 | 0.3° | 0.0° |
| C10 | C9 | C2 | C3 | 179.7° | 180.0° |
| C9 | C10 | C11 | H14 | 178.7° | 180.0° |
| C12 | C1 | C2 | C9 | 0.4° | 0.0° |
| C12 | C1 | C2 | N1 | 179.9° | 179.8° |
| C12 | C1 | C2 | C3 | 179.9° | 180.0° |
| C12 | C1 | N1 | C | 179.7° | 179.7° |
| C1 | C12 | C11 | H14 | 178.9° | 180.0° |
| C9 | C2 | C1 | C3 | 179.5° | 180.0° |
| C9 | C2 | C1 | N1 | 179.7° | 179.8° |
| C9 | C2 | C3 | N3 | 0.2° | 0.0° |
| C9 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | C9 | C10 | H13 | 179.3° | 180.0° |
| C2 | C1 | N1 | C | 0.2° | 0.5° |
| C1 | C2 | C3 | N3 | 179.7° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C9 | H12 | 179.8° | 180.0° |
| C2 | C1 | C12 | H15 | 179.8° | 179.9° |
| N1 | C1 | C2 | C3 | 0.2° | 0.2° |
| C1 | N1 | C | C4 | 0.3° | 0.5° |
| C1 | N1 | C | N | 179.7° | 179.8° |
| N1 | C1 | C12 | H15 | 0.3° | 0.1° |
| C2 | C3 | N3 | C4 | 179.9° | 180.0° |
| C2 | C3 | C4 | C | 0.3° | 0.0° |
| C2 | C3 | N3 | C5 | 179.8° | 180.0° |
| C2 | C3 | C4 | N2 | 179.6° | 180.0° |
| C3 | C2 | C9 | H12 | 0.4° | 0.0° |
| C2 | C3 | N3 | H3 | 0.2° | 0.1° |
| N1 | C | C4 | C3 | 0.1° | 0.3° |
| N1 | C | C4 | N | 179.4° | 179.7° |
| N1 | C | C4 | N2 | 179.0° | 179.8° |
| N1 | C | N | H1 | 0.0° | 179.7° |
| N1 | C | N | H2 | 120.0° | 0.5° |
| N3 | C3 | C4 | C | 179.8° | 180.0° |
| C3 | N3 | C5 | H3 | 180.0° | 179.9° |
| N3 | C3 | C4 | N2 | 0.4° | 0.0° |
| C3 | N3 | C5 | N2 | 0.6° | 0.0° |
| C3 | N3 | C5 | C6 | 179.3° | 180.0° |
| C3 | C4 | C | N2 | 179.1° | 179.9° |
| C3 | C4 | C | N | 179.5° | 180.0° |
| C4 | C3 | N3 | C5 | 0.1° | 0.0° |
| C3 | C4 | N2 | C5 | 0.8° | 0.0° |
| C4 | C3 | N3 | H3 | 179.9° | 179.9° |
| C | C4 | N2 | C5 | 179.9° | 179.9° |
| C4 | C | N | H1 | 179.4° | 0.0° |
| C4 | C | N | H2 | 59.4° | 179.8° |
| N | C | C4 | N2 | 0.4° | 0.1° |
| C | N | H1 | H2 | 120.0° | 179.8° |
| N3 | C5 | N2 | C4 | 0.9° | 0.0° |
| N3 | C5 | N2 | C6 | 178.8° | 180.0° |
| N3 | C5 | C6 | O | 108.0° | 0.0° |
| N3 | C5 | C6 | H4 | 11.1° | 120.0° |
| N3 | C5 | C6 | H5 | 132.9° | 119.9° |
| C4 | N2 | C5 | C6 | 179.6° | 180.0° |
| N2 | C5 | C6 | O | 70.6° | 180.0° |
| N2 | C5 | C6 | H4 | 170.3° | 60.1° |
| N2 | C5 | C6 | H5 | 48.4° | 60.0° |
| N2 | C5 | N3 | H3 | 179.4° | 179.9° |
| C5 | C6 | O | C7 | 88.3° | 180.0° |
| C5 | C6 | O | H4 | 119.1° | 120.0° |
| C5 | C6 | O | H5 | 119.1° | 120.0° |
| C5 | C6 | H4 | H5 | 122.7° | 120.0° |
| C6 | C5 | N3 | H3 | 0.7° | 0.1° |
| C8 | C7 | O | H6 | 120.3° | 120.1° |
| C8 | C7 | O | H7 | 120.3° | 120.0° |
| C8 | C7 | O | C6 | 178.5° | 180.0° |
| C8 | C7 | H6 | H7 | 119.2° | 120.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H10 | 120.0° | 120.0° |
| C7 | O | C6 | H4 | 30.8° | 60.0° |
| C7 | O | C6 | H5 | 152.7° | 60.0° |
| O | C7 | H6 | H7 | 119.1° | 120.0° |
| O | C7 | C8 | H8 | 180.0° | 60.0° |
| O | C7 | C8 | H9 | 60.0° | 180.0° |
| O | C7 | C8 | H10 | 60.0° | 60.0° |
| O | C6 | H4 | H5 | 122.7° | 120.0° |
| C6 | O | C7 | H6 | 58.3° | 59.9° |
| C6 | O | C7 | H7 | 61.1° | 60.0° |
| H6 | C7 | C8 | H8 | 59.7° | 60.0° |
| H6 | C7 | C8 | H9 | 60.3° | 60.0° |
| H6 | C7 | C8 | H10 | 179.7° | 180.0° |
| H7 | C7 | C8 | H8 | 59.7° | NaN° |
| H7 | C7 | C8 | H9 | 179.7° | 60.0° |
| H7 | C7 | C8 | H10 | 60.3° | 60.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.0° |
| H12 | C9 | C10 | H13 | 0.7° | 0.0° |
| H13 | C10 | C11 | H14 | 1.4° | 0.0° |
| H14 | C11 | C12 | H15 | 1.1° | 0.1° |
