2N0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.52Å | 1.51Å | |
| C16 | O | doub | 1.21Å | 1.23Å | |
| C16 | C4 | sing | 1.47Å | 1.48Å | |
| C13 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.45Å | 1.38Å | Aromatic |
| C5 | N | sing | 1.34Å | 1.33Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.39Å | Aromatic |
| N | C6 | sing | 1.47Å | 1.47Å | |
| N | C2 | sing | 1.37Å | 1.35Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| C8 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 112.9° | 110.7° |
| C14 | C15 | C16 | 113.0° | 108.4° |
| C14 | C15 | H2 | 108.6° | 109.7° |
| C14 | C15 | H3 | 108.6° | 109.7° |
| C15 | C14 | H4 | 108.6° | 109.2° |
| C15 | C14 | H5 | 108.6° | 109.3° |
| C14 | C13 | C5 | 106.8° | 109.1° |
| C13 | C14 | H4 | 108.6° | 109.2° |
| C13 | C14 | H5 | 108.6° | 109.2° |
| C14 | C13 | H6 | 110.1° | 109.5° |
| C14 | C13 | H7 | 110.1° | 109.5° |
| C15 | C16 | O | 121.1° | 122.5° |
| C15 | C16 | C4 | 117.4° | 115.0° |
| C16 | C15 | H2 | 108.6° | 109.6° |
| C16 | C15 | H3 | 108.6° | 109.6° |
| O | C16 | C4 | 121.4° | 122.5° |
| C16 | C4 | C5 | 119.4° | 122.0° |
| C16 | C4 | C3 | 132.0° | 131.2° |
| C13 | C5 | C4 | 125.7° | 122.8° |
| C13 | C5 | N | 126.4° | 129.5° |
| C5 | C13 | H6 | 110.1° | 109.3° |
| C5 | C13 | H7 | 110.1° | 109.8° |
| C5 | C4 | C3 | 108.6° | 106.7° |
| C4 | C5 | N | 107.8° | 107.7° |
| C4 | C3 | C2 | 105.1° | 105.9° |
| C4 | C3 | H1 | 127.4° | 127.1° |
| C5 | N | C6 | 124.3° | 124.8° |
| C5 | N | C2 | 109.4° | 110.4° |
| C3 | C2 | N | 109.0° | 109.3° |
| C3 | C2 | C1 | 127.2° | 125.4° |
| C2 | C3 | H1 | 127.4° | 127.0° |
| C6 | N | C2 | 126.3° | 124.8° |
| N | C6 | C7 | 108.6° | 109.5° |
| N | C6 | H13 | 109.7° | 109.5° |
| N | C6 | H14 | 109.7° | 109.5° |
| N | C2 | C1 | 123.8° | 125.4° |
| C6 | C7 | C8 | 120.8° | 120.0° |
| C6 | C7 | C12 | 120.1° | 120.0° |
| C7 | C6 | H13 | 109.7° | 109.5° |
| C7 | C6 | H14 | 109.7° | 109.5° |
| C2 | C1 | C | 112.6° | 109.5° |
| C2 | C1 | H8 | 108.7° | 109.5° |
| C2 | C1 | H9 | 108.7° | 109.5° |
| C7 | C8 | C9 | 119.9° | 120.0° |
| C8 | C7 | C12 | 119.1° | 120.0° |
| C7 | C8 | H19 | 120.0° | 120.0° |
| C8 | C9 | C10 | 120.7° | 120.0° |
| C8 | C9 | H18 | 119.6° | 119.9° |
| C9 | C8 | H19 | 120.1° | 120.1° |
| C7 | C12 | C11 | 120.9° | 120.0° |
| C7 | C12 | H15 | 119.5° | 120.0° |
| C9 | C10 | C11 | 119.7° | 120.0° |
| C9 | C10 | H17 | 120.2° | 120.0° |
| C10 | C9 | H18 | 119.7° | 120.0° |
| C | C1 | H8 | 108.7° | 109.5° |
| C | C1 | H9 | 108.7° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.4° |
| C1 | C | H12 | 109.4° | 109.5° |
| C12 | C11 | C10 | 119.7° | 120.0° |
| C11 | C12 | H15 | 119.6° | 120.0° |
| C12 | C11 | H16 | 120.2° | 120.0° |
| C10 | C11 | H16 | 120.1° | 120.0° |
| C11 | C10 | H17 | 120.2° | 120.0° |
| H2 | C15 | H3 | 109.5° | 109.7° |
| H4 | C14 | H5 | 109.5° | 109.2° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.4° |
| H10 | C | H11 | 109.5° | 109.4° |
| H10 | C | H12 | 109.5° | 109.4° |
| H11 | C | H12 | 109.5° | 109.5° |
| H13 | C6 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H4 | 120.5° | 120.3° |
| C15 | C14 | C13 | H5 | 120.5° | 120.4° |
| C14 | C15 | C16 | H2 | 120.5° | 119.7° |
| C14 | C15 | C16 | H3 | 120.5° | 119.7° |
| C14 | C15 | C16 | O | 163.5° | 137.4° |
| C14 | C15 | C16 | C4 | 21.1° | 42.2° |
| C15 | C14 | C13 | C5 | 54.3° | 52.9° |
| C14 | C15 | H2 | H3 | 118.4° | 120.6° |
| C15 | C14 | H4 | H5 | 118.4° | 119.4° |
| C15 | C14 | C13 | H6 | 173.9° | 172.6° |
| C15 | C14 | C13 | H7 | 65.2° | 67.3° |
| C13 | C14 | C15 | C16 | 53.2° | 64.7° |
| C14 | C13 | C5 | H6 | 119.6° | 119.8° |
| C14 | C13 | C5 | H7 | 119.5° | 120.1° |
| C14 | C13 | C5 | C4 | 28.2° | 20.7° |
| C14 | C13 | C5 | N | 151.6° | 159.2° |
| C13 | C14 | C15 | H2 | 67.3° | 175.6° |
| C13 | C14 | C15 | H3 | 173.7° | 55.0° |
| C13 | C14 | H4 | H5 | 118.4° | 119.3° |
| C14 | C13 | H6 | H7 | 121.2° | 120.1° |
| C15 | C16 | O | C4 | 175.2° | 179.7° |
| C15 | C16 | C4 | C5 | 5.8° | 11.1° |
| C15 | C16 | C4 | C3 | 177.5° | 168.9° |
| C16 | C15 | H2 | H3 | 118.4° | 120.5° |
| C16 | C15 | C14 | H4 | 67.3° | 55.6° |
| C16 | C15 | C14 | H5 | 173.7° | 175.0° |
| O | C16 | C4 | C5 | 169.6° | 168.6° |
| O | C16 | C4 | C3 | 7.1° | 11.4° |
| O | C16 | C15 | H2 | 76.0° | 17.7° |
| O | C16 | C15 | H3 | 43.0° | 102.8° |
| C16 | C4 | C5 | C13 | 1.6° | 0.2° |
| C16 | C4 | C5 | C3 | 177.4° | 180.0° |
| C16 | C4 | C5 | N | 178.5° | 179.8° |
| C16 | C4 | C3 | C2 | 177.9° | 179.9° |
| C16 | C4 | C3 | H1 | 2.1° | 0.1° |
| C4 | C16 | C15 | H2 | 99.4° | 162.0° |
| C4 | C16 | C15 | H3 | 141.6° | 77.5° |
| C13 | C5 | C4 | N | 179.9° | 179.9° |
| C13 | C5 | C4 | C3 | 179.0° | 179.8° |
| C13 | C5 | N | C6 | 1.2° | 0.2° |
| C13 | C5 | N | C2 | 179.3° | 179.8° |
| C5 | C13 | C14 | H4 | 66.2° | 67.4° |
| C5 | C13 | C14 | H5 | 174.8° | 173.3° |
| C5 | C13 | H6 | H7 | 121.3° | 120.3° |
| C5 | C4 | C3 | C2 | 0.9° | 0.1° |
| C4 | C5 | N | C6 | 178.9° | 179.9° |
| C4 | C5 | N | C2 | 0.8° | 0.1° |
| C5 | C4 | C3 | H1 | 179.1° | 179.9° |
| C4 | C5 | C13 | H6 | 147.8° | 140.5° |
| C4 | C5 | C13 | H7 | 91.3° | 99.3° |
| C3 | C4 | C5 | N | 1.1° | 0.1° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | N | 0.5° | 0.0° |
| C4 | C3 | C2 | C1 | 179.1° | 180.0° |
| C5 | N | C2 | C3 | 0.2° | 0.1° |
| C5 | N | C6 | C2 | 177.8° | 180.0° |
| C5 | N | C6 | C7 | 76.8° | 90.0° |
| C5 | N | C2 | C1 | 179.8° | 179.9° |
| N | C5 | C13 | H6 | 32.0° | 39.4° |
| N | C5 | C13 | H7 | 88.8° | 80.7° |
| C5 | N | C6 | H13 | 163.3° | 150.1° |
| C5 | N | C6 | H14 | 43.1° | 30.1° |
| C3 | C2 | N | C6 | 178.3° | 179.9° |
| C3 | C2 | N | C1 | 179.6° | 180.0° |
| C3 | C2 | C1 | C | 1.0° | 85.1° |
| C3 | C2 | C1 | H8 | 121.5° | 154.9° |
| C3 | C2 | C1 | H9 | 119.4° | 35.0° |
| N | C6 | C7 | H13 | 119.9° | 120.0° |
| N | C6 | C7 | H14 | 119.9° | 120.0° |
| C6 | N | C2 | C1 | 2.1° | 0.1° |
| N | C6 | C7 | C8 | 120.8° | 90.3° |
| N | C6 | C7 | C12 | 59.0° | 90.0° |
| N | C6 | H13 | H14 | 120.4° | 120.0° |
| C2 | N | C6 | C7 | 101.0° | 90.0° |
| N | C2 | C1 | C | 178.5° | 94.9° |
| N | C2 | C3 | H1 | 179.5° | 180.0° |
| N | C2 | C1 | H8 | 58.0° | 25.1° |
| N | C2 | C1 | H9 | 61.1° | 145.0° |
| C2 | N | C6 | H13 | 18.9° | 30.0° |
| C2 | N | C6 | H14 | 139.1° | 150.0° |
| C6 | C7 | C8 | C12 | 179.7° | 179.8° |
| C6 | C7 | C8 | C9 | 179.7° | 179.7° |
| C6 | C7 | C12 | C11 | 179.7° | 180.0° |
| C7 | C6 | H13 | H14 | 120.4° | 120.0° |
| C6 | C7 | C12 | H15 | 0.2° | 0.0° |
| C6 | C7 | C8 | H19 | 0.3° | 0.0° |
| C2 | C1 | C | H8 | 120.4° | 120.0° |
| C2 | C1 | C | H9 | 120.4° | 120.0° |
| C1 | C2 | C3 | H1 | 0.9° | 0.0° |
| C2 | C1 | H8 | H9 | 118.6° | 120.0° |
| C2 | C1 | C | H10 | 180.0° | 180.0° |
| C2 | C1 | C | H11 | 60.0° | 60.0° |
| C2 | C1 | C | H12 | 60.0° | 60.0° |
| C7 | C8 | C9 | H19 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 0.1° | 0.5° |
| C8 | C7 | C12 | C11 | 0.0° | 0.2° |
| C8 | C7 | C6 | H13 | 119.3° | 149.7° |
| C8 | C7 | C6 | H14 | 0.9° | 29.7° |
| C8 | C7 | C12 | H15 | 180.0° | 179.8° |
| C7 | C8 | C9 | H18 | 179.9° | 179.7° |
| C9 | C8 | C7 | C12 | 0.1° | 0.5° |
| C8 | C9 | C10 | H18 | 180.0° | 179.8° |
| C8 | C9 | C10 | C11 | 0.1° | 0.2° |
| C8 | C9 | C10 | H17 | 179.9° | 179.7° |
| C7 | C12 | C11 | H15 | 180.0° | 180.0° |
| C7 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C7 | C6 | H13 | 60.9° | 30.0° |
| C12 | C7 | C6 | H14 | 178.9° | 150.0° |
| C7 | C12 | C11 | H16 | 179.9° | 180.0° |
| C12 | C7 | C8 | H19 | 179.9° | 179.7° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C9 | C10 | C11 | H17 | 180.0° | 180.0° |
| C9 | C10 | C11 | H16 | 179.8° | 180.0° |
| C10 | C9 | C8 | H19 | 180.0° | 179.7° |
| C | C1 | H8 | H9 | 118.6° | 120.1° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.1° |
| C1 | C | H11 | H12 | 120.0° | 120.1° |
| C12 | C11 | C10 | H16 | 180.0° | 180.0° |
| C12 | C11 | C10 | H17 | 179.9° | 180.0° |
| C10 | C11 | C12 | H15 | 179.9° | 180.0° |
| C11 | C10 | C9 | H18 | 179.9° | 180.0° |
| H2 | C15 | C14 | H4 | 172.1° | 64.1° |
| H2 | C15 | C14 | H5 | 53.2° | 55.3° |
| H3 | C15 | C14 | H4 | 53.2° | 175.3° |
| H3 | C15 | C14 | H5 | 65.8° | 65.3° |
| H4 | C14 | C13 | H6 | 53.4° | 52.2° |
| H4 | C14 | C13 | H7 | 174.2° | 172.3° |
| H5 | C14 | C13 | H6 | 65.6° | 67.1° |
| H5 | C14 | C13 | H7 | 55.2° | 53.0° |
| H8 | C1 | C | H10 | 59.6° | 60.0° |
| H8 | C1 | C | H11 | 179.6° | 180.0° |
| H8 | C1 | C | H12 | 60.4° | 60.0° |
| H9 | C1 | C | H10 | 59.6° | 60.0° |
| H9 | C1 | C | H11 | 60.4° | 60.0° |
| H9 | C1 | C | H12 | 179.6° | 180.0° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
| H15 | C12 | C11 | H16 | 0.1° | 0.0° |
| H16 | C11 | C10 | H17 | 0.2° | 0.0° |
| H17 | C10 | C9 | H18 | 0.1° | 0.0° |
| H18 | C9 | C8 | H19 | 0.0° | 0.0° |
