20N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | O13 | doub | 1.21Å | 1.22Å | |
| C12 | N11 | sing | 1.35Å | 1.36Å | |
| N11 | C8 | sing | 1.40Å | 1.41Å | |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N4 | sing | 1.40Å | 1.41Å | |
| N4 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | O3 | doub | 1.21Å | 1.21Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| N11 | H9 | sing | 0.97Å | 1.00Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C14 | 59.7° | 60.0° |
| C16 | C15 | C14 | 60.3° | 60.0° |
| C16 | C15 | H11 | 119.9° | 117.5° |
| C16 | C15 | H12 | 120.0° | 117.6° |
| C15 | C16 | H13 | 120.0° | 117.5° |
| C15 | C16 | H14 | 120.0° | 117.5° |
| C16 | C14 | C15 | 60.0° | 60.0° |
| C16 | C14 | C12 | 117.8° | 117.5° |
| C16 | C14 | H10 | 115.8° | 117.5° |
| C14 | C16 | H13 | 120.0° | 117.5° |
| C14 | C16 | H14 | 120.0° | 117.5° |
| C15 | C14 | C12 | 119.3° | 117.5° |
| C15 | C14 | H10 | 115.9° | 117.5° |
| C14 | C15 | H11 | 119.9° | 117.5° |
| C14 | C15 | H12 | 120.0° | 117.5° |
| C14 | C12 | O13 | 119.9° | 120.0° |
| C14 | C12 | N11 | 117.5° | 120.0° |
| C12 | C14 | H10 | 116.3° | 115.5° |
| O13 | C12 | N11 | 122.5° | 120.0° |
| C12 | N11 | C8 | 127.7° | 120.0° |
| C12 | N11 | H9 | 116.1° | 120.0° |
| N11 | C8 | C7 | 115.7° | 120.0° |
| N11 | C8 | C9 | 125.4° | 120.0° |
| C8 | N11 | H9 | 116.1° | 120.0° |
| C7 | C8 | C9 | 118.8° | 120.0° |
| C8 | C7 | C6 | 120.7° | 120.0° |
| C8 | C7 | H6 | 119.7° | 120.0° |
| C8 | C9 | C10 | 120.3° | 120.0° |
| C8 | C9 | H7 | 119.8° | 120.0° |
| C7 | C6 | C5 | 120.5° | 120.0° |
| C7 | C6 | H5 | 119.8° | 120.0° |
| C6 | C7 | H6 | 119.7° | 120.1° |
| C9 | C10 | C5 | 120.3° | 120.0° |
| C10 | C9 | H7 | 119.8° | 120.0° |
| C9 | C10 | H8 | 119.9° | 120.0° |
| C6 | C5 | C10 | 119.4° | 120.0° |
| C6 | C5 | N4 | 115.7° | 120.0° |
| C5 | C6 | H5 | 119.8° | 120.0° |
| C10 | C5 | N4 | 124.9° | 120.0° |
| C5 | C10 | H8 | 119.9° | 120.0° |
| C5 | N4 | C2 | 129.1° | 120.0° |
| C5 | N4 | H4 | 115.4° | 120.0° |
| N4 | C2 | O3 | 123.8° | 120.0° |
| N4 | C2 | C1 | 117.8° | 120.0° |
| C2 | N4 | H4 | 115.4° | 119.9° |
| O3 | C2 | C1 | 118.5° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 115.5° |
| H13 | C16 | H14 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C14 | H13 | 109.4° | 107.5° |
| C15 | C16 | C14 | H14 | 109.4° | 107.5° |
| C16 | C15 | C14 | H11 | 109.5° | 107.5° |
| C16 | C15 | C14 | H12 | 109.5° | 107.6° |
| C15 | C16 | C14 | C12 | 109.6° | 107.5° |
| C15 | C16 | C14 | H10 | 106.4° | 107.5° |
| C16 | C15 | H11 | H12 | 144.6° | 145.8° |
| C15 | C16 | H13 | H14 | 144.9° | 145.7° |
| C16 | C14 | C12 | H10 | 143.9° | 145.7° |
| C16 | C14 | C12 | O13 | 47.4° | 68.8° |
| C16 | C14 | C12 | N11 | 133.8° | 111.3° |
| C14 | C16 | H13 | H14 | 144.9° | 145.7° |
| C15 | C14 | C12 | H10 | 146.8° | 145.7° |
| C15 | C14 | C12 | O13 | 22.0° | 0.1° |
| C15 | C14 | C12 | N11 | 156.8° | 179.9° |
| C14 | C15 | H11 | H12 | 144.6° | 145.6° |
| C14 | C12 | O13 | N11 | 178.8° | 180.0° |
| C14 | C12 | N11 | C8 | 176.3° | 175.4° |
| C14 | C12 | N11 | H9 | 3.7° | 4.6° |
| C12 | C14 | C15 | H11 | 2.5° | 145.0° |
| C12 | C14 | C15 | H12 | 143.4° | 0.1° |
| C12 | C14 | C16 | H13 | 141.0° | 0.0° |
| C12 | C14 | C16 | H14 | 0.2° | 145.0° |
| O13 | C12 | N11 | C8 | 4.9° | 4.6° |
| O13 | C12 | N11 | H9 | 175.1° | 175.4° |
| O13 | C12 | C14 | H10 | 168.8° | 145.6° |
| C12 | N11 | C8 | H9 | 180.0° | 180.0° |
| C12 | N11 | C8 | C7 | 155.1° | 144.9° |
| C12 | N11 | C8 | C9 | 20.9° | 35.1° |
| N11 | C12 | C14 | H10 | 10.1° | 34.4° |
| N11 | C8 | C7 | C9 | 176.3° | 180.0° |
| N11 | C8 | C7 | C6 | 178.3° | 179.9° |
| N11 | C8 | C9 | C10 | 177.1° | 179.8° |
| N11 | C8 | C7 | H6 | 1.7° | 0.0° |
| N11 | C8 | C9 | H7 | 2.9° | 0.0° |
| C8 | C7 | C6 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.2° | 0.2° |
| C8 | C7 | C6 | C5 | 1.4° | 0.0° |
| C8 | C7 | C6 | H5 | 178.5° | 180.0° |
| C7 | C8 | C9 | H7 | 178.8° | 180.0° |
| C7 | C8 | N11 | H9 | 24.9° | 35.1° |
| C9 | C8 | C7 | C6 | 2.0° | 0.0° |
| C8 | C9 | C10 | H7 | 180.0° | 179.8° |
| C8 | C9 | C10 | C5 | 0.3° | 0.4° |
| C9 | C8 | C7 | H6 | 177.9° | 180.0° |
| C8 | C9 | C10 | H8 | 179.7° | 180.0° |
| C9 | C8 | N11 | H9 | 159.1° | 144.9° |
| C7 | C6 | C5 | H5 | 180.0° | 179.9° |
| C7 | C6 | C5 | C10 | 0.1° | 0.2° |
| C7 | C6 | C5 | N4 | 179.5° | 180.0° |
| C9 | C10 | C5 | C6 | 0.9° | 0.4° |
| C9 | C10 | C5 | H8 | 180.0° | 179.6° |
| C9 | C10 | C5 | N4 | 179.7° | 179.8° |
| C6 | C5 | C10 | N4 | 179.4° | 179.8° |
| C6 | C5 | N4 | C2 | 169.5° | 35.1° |
| C6 | C5 | N4 | H4 | 10.5° | 145.0° |
| C5 | C6 | C7 | H6 | 178.5° | 180.0° |
| C6 | C5 | C10 | H8 | 179.0° | 180.0° |
| C10 | C5 | N4 | C2 | 9.9° | 145.1° |
| C10 | C5 | N4 | H4 | 170.1° | 34.9° |
| C10 | C5 | C6 | H5 | 180.0° | 179.8° |
| C5 | C10 | C9 | H7 | 179.7° | 179.8° |
| C5 | N4 | C2 | H4 | 180.0° | 180.0° |
| C5 | N4 | C2 | O3 | 0.0° | 4.6° |
| C5 | N4 | C2 | C1 | 179.7° | 175.4° |
| N4 | C5 | C6 | H5 | 0.5° | 0.1° |
| N4 | C5 | C10 | H8 | 0.3° | 0.2° |
| N4 | C2 | O3 | C1 | 179.7° | 180.0° |
| N4 | C2 | C1 | H1 | 179.7° | 90.0° |
| N4 | C2 | C1 | H2 | 60.2° | 30.0° |
| N4 | C2 | C1 | H3 | 59.7° | 150.0° |
| O3 | C2 | C1 | H1 | 0.0° | 90.0° |
| O3 | C2 | C1 | H2 | 120.0° | 150.0° |
| O3 | C2 | C1 | H3 | 120.0° | 30.0° |
| O3 | C2 | N4 | H4 | 180.0° | 175.4° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 119.9° | 120.0° |
| C1 | C2 | N4 | H4 | 0.3° | 4.6° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H5 | C6 | C7 | H6 | 1.5° | 0.1° |
| H7 | C9 | C10 | H8 | 0.3° | 0.2° |
| H10 | C14 | C15 | H11 | 144.4° | 0.0° |
| H10 | C14 | C15 | H12 | 3.4° | 144.9° |
| H10 | C14 | C16 | H13 | 3.0° | 145.0° |
| H10 | C14 | C16 | H14 | 144.3° | 0.0° |
| H11 | C15 | C16 | H13 | 141.1° | 145.0° |
| H11 | C15 | C16 | H14 | 0.2° | 0.0° |
| H12 | C15 | C16 | H13 | 0.2° | 0.1° |
| H12 | C15 | C16 | H14 | 141.1° | 145.1° |
