72N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C5 | doub | 1.31Å | 1.37Å | Aromatic |
| N4 | N3 | sing | 1.29Å | 1.32Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.48Å | |
| C5 | N1 | sing | 1.36Å | 1.41Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.37Å | Aromatic |
| C2 | N1 | sing | 1.36Å | 1.41Å | Aromatic |
| C2 | C7 | sing | 1.51Å | 1.45Å | |
| N1 | C8 | sing | 1.40Å | 1.40Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C15 | C7 | sing | 1.53Å | 1.51Å | |
| C14 | C7 | sing | 1.53Å | 1.51Å | |
| C8 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N4 | N3 | 110.2° | 109.9° |
| N4 | C5 | C6 | 127.3° | 126.4° |
| N4 | C5 | N1 | 107.3° | 107.2° |
| N4 | N3 | C2 | 109.2° | 109.8° |
| C6 | C5 | N1 | 125.4° | 126.4° |
| C5 | C6 | H1 | 109.5° | 109.5° |
| C5 | C6 | H2 | 109.5° | 109.5° |
| C5 | C6 | H3 | 109.4° | 109.4° |
| C5 | N1 | C2 | 105.1° | 105.8° |
| C5 | N1 | C8 | 128.1° | 127.1° |
| N3 | C2 | N1 | 108.3° | 107.2° |
| N3 | C2 | C7 | 126.4° | 126.4° |
| N1 | C2 | C7 | 125.3° | 126.4° |
| C2 | N1 | C8 | 126.8° | 127.1° |
| C2 | C7 | C15 | 115.7° | 117.5° |
| C2 | C7 | C14 | 117.1° | 117.5° |
| C2 | C7 | H4 | 118.0° | 115.6° |
| N1 | C8 | C13 | 120.4° | 120.1° |
| N1 | C8 | C9 | 119.6° | 120.1° |
| C14 | C15 | C7 | 60.4° | 60.0° |
| C15 | C14 | C7 | 60.1° | 60.0° |
| C14 | C15 | H7 | 119.9° | 117.5° |
| C14 | C15 | H8 | 119.9° | 117.5° |
| C15 | C14 | H11 | 120.0° | 117.5° |
| C15 | C14 | H12 | 120.0° | 117.5° |
| C15 | C7 | C14 | 59.5° | 60.0° |
| C15 | C7 | H4 | 116.8° | 117.4° |
| C7 | C15 | H7 | 119.9° | 117.5° |
| C7 | C15 | H8 | 119.9° | 117.6° |
| C14 | C7 | H4 | 116.7° | 117.5° |
| C7 | C14 | H11 | 120.0° | 117.5° |
| C7 | C14 | H12 | 120.0° | 117.5° |
| C13 | C8 | C9 | 120.0° | 119.8° |
| C8 | C13 | C12 | 119.3° | 119.9° |
| C8 | C13 | H6 | 120.4° | 120.0° |
| C8 | C9 | C10 | 119.3° | 119.9° |
| C8 | C9 | H13 | 120.3° | 120.0° |
| C13 | C12 | C11 | 121.2° | 120.0° |
| C12 | C13 | H6 | 120.4° | 120.1° |
| C13 | C12 | H10 | 119.4° | 120.0° |
| C9 | C10 | C11 | 121.2° | 120.1° |
| C9 | C10 | H5 | 119.4° | 119.9° |
| C10 | C9 | H13 | 120.4° | 120.0° |
| C12 | C11 | C10 | 119.1° | 120.2° |
| C12 | C11 | H9 | 120.4° | 119.9° |
| C11 | C12 | H10 | 119.4° | 120.0° |
| C11 | C10 | H5 | 119.4° | 120.0° |
| C10 | C11 | H9 | 120.5° | 119.9° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H1 | C6 | H3 | 109.5° | 109.5° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 115.5° |
| H11 | C14 | H12 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C5 | C6 | N1 | 179.2° | 179.9° |
| C5 | N4 | N3 | C2 | 0.6° | 0.0° |
| N4 | C5 | N1 | C2 | 0.3° | 0.3° |
| N4 | C5 | N1 | C8 | 179.2° | 180.0° |
| N4 | C5 | C6 | H1 | 0.0° | 89.9° |
| N4 | C5 | C6 | H2 | 120.0° | 30.0° |
| N4 | C5 | C6 | H3 | 120.0° | 150.0° |
| N3 | N4 | C5 | C6 | 179.6° | 179.9° |
| N3 | N4 | C5 | N1 | 0.2° | 0.2° |
| N4 | N3 | C2 | N1 | 0.8° | 0.2° |
| N4 | N3 | C2 | C7 | 179.8° | 180.0° |
| C6 | C5 | N1 | C2 | 179.1° | 179.8° |
| C6 | C5 | N1 | C8 | 1.5° | 0.1° |
| C5 | C6 | H1 | H2 | 120.0° | 120.0° |
| C5 | C6 | H1 | H3 | 120.0° | 120.0° |
| C5 | C6 | H2 | H3 | 120.0° | 120.0° |
| C5 | N1 | C2 | N3 | 0.6° | 0.3° |
| C5 | N1 | C2 | C8 | 179.5° | 179.7° |
| C5 | N1 | C2 | C7 | 179.7° | 179.9° |
| C5 | N1 | C8 | C13 | 107.9° | 65.0° |
| C5 | N1 | C8 | C9 | 72.7° | 115.3° |
| N1 | C5 | C6 | H1 | 179.2° | 90.0° |
| N1 | C5 | C6 | H2 | 60.8° | 150.1° |
| N1 | C5 | C6 | H3 | 59.2° | 30.1° |
| N3 | C2 | N1 | C7 | 179.0° | 179.8° |
| N3 | C2 | N1 | C8 | 178.8° | 180.0° |
| N3 | C2 | C7 | C15 | 5.5° | 59.9° |
| N3 | C2 | C7 | C14 | 61.8° | 8.8° |
| N3 | C2 | C7 | H4 | 150.8° | 154.5° |
| N1 | C2 | C7 | C15 | 175.6° | 119.8° |
| N1 | C2 | C7 | C14 | 117.1° | 171.5° |
| C2 | N1 | C8 | C13 | 71.4° | 114.7° |
| C2 | N1 | C8 | C9 | 107.9° | 65.0° |
| N1 | C2 | C7 | H4 | 30.4° | 25.7° |
| C7 | C2 | N1 | C8 | 0.2° | 0.2° |
| C2 | C7 | C14 | C15 | 105.3° | 107.5° |
| C2 | C7 | C15 | H4 | 145.7° | 144.9° |
| C2 | C7 | C14 | H4 | 147.9° | 145.1° |
| C2 | C7 | C15 | H7 | 142.7° | 0.1° |
| C2 | C7 | C15 | H8 | 1.9° | 145.0° |
| C2 | C7 | C14 | H11 | 4.2° | 145.1° |
| C2 | C7 | C14 | H12 | 145.2° | 0.0° |
| N1 | C8 | C13 | C9 | 179.4° | 179.7° |
| N1 | C8 | C13 | C12 | 179.8° | 180.0° |
| N1 | C8 | C9 | C10 | 179.8° | 180.0° |
| N1 | C8 | C13 | H6 | 0.2° | 0.0° |
| N1 | C8 | C9 | H13 | 0.2° | 0.0° |
| C14 | C15 | C7 | H7 | 109.6° | 107.5° |
| C14 | C15 | C7 | H8 | 109.6° | 107.5° |
| C15 | C14 | C7 | H11 | 109.5° | 107.4° |
| C15 | C14 | C7 | H12 | 109.5° | 107.5° |
| C14 | C15 | C7 | H4 | 106.6° | 107.5° |
| C14 | C15 | H7 | H8 | 144.5° | 145.7° |
| C15 | C14 | H11 | H12 | 144.7° | 145.6° |
| C7 | C15 | H7 | H8 | 144.5° | 145.7° |
| C7 | C14 | H11 | H12 | 144.7° | 145.8° |
| C8 | C13 | C12 | H6 | 180.0° | 179.9° |
| C13 | C8 | C9 | C10 | 0.4° | 0.3° |
| C8 | C13 | C12 | C11 | 0.1° | 0.0° |
| C8 | C13 | C12 | H10 | 179.8° | 180.0° |
| C13 | C8 | C9 | H13 | 179.6° | 179.7° |
| C9 | C8 | C13 | C12 | 0.4° | 0.3° |
| C8 | C9 | C10 | H13 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | H5 | 179.8° | 179.7° |
| C9 | C8 | C13 | H6 | 179.6° | 179.7° |
| C13 | C12 | C11 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C13 | C12 | C11 | H9 | 179.9° | 179.7° |
| C9 | C10 | C11 | C12 | 0.1° | 0.3° |
| C9 | C10 | C11 | H5 | 180.0° | 179.6° |
| C9 | C10 | C11 | H9 | 179.9° | 179.7° |
| C12 | C11 | C10 | H9 | 180.0° | 180.0° |
| C12 | C11 | C10 | H5 | 179.9° | 180.0° |
| C11 | C12 | C13 | H6 | 179.9° | 180.0° |
| C10 | C11 | C12 | H10 | 179.9° | 179.7° |
| C11 | C10 | C9 | H13 | 179.9° | 180.0° |
| H1 | C6 | H2 | H3 | 120.0° | 120.0° |
| H4 | C7 | C15 | H7 | 3.0° | 145.0° |
| H4 | C7 | C15 | H8 | 143.8° | 0.0° |
| H4 | C7 | C14 | H11 | 143.7° | 0.0° |
| H4 | C7 | C14 | H12 | 2.6° | 145.1° |
| H5 | C10 | C11 | H9 | 0.1° | 0.0° |
| H5 | C10 | C9 | H13 | 0.2° | 0.4° |
| H6 | C13 | C12 | H10 | 0.1° | 0.0° |
| H7 | C15 | C14 | H11 | 140.9° | 145.0° |
| H7 | C15 | C14 | H12 | 0.1° | 0.0° |
| H8 | C15 | C14 | H11 | 0.1° | 0.0° |
| H8 | C15 | C14 | H12 | 140.9° | 144.9° |
| H9 | C11 | C12 | H10 | 0.1° | 0.3° |
