4H7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C5 | N1 | sing | 1.40Å | 1.40Å | |
| C5 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| N | C | sing | 1.47Å | 1.46Å | |
| N | C4 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C11 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | C12 | sing | 1.38Å | 1.37Å | |
| C13 | C12 | doub | 1.39Å | 1.44Å | Aromatic |
| C13 | C14 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | N3 | sing | 1.33Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | C16 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.48Å | 1.47Å | |
| C17 | O | doub | 1.22Å | 1.24Å | |
| C17 | N4 | sing | 1.35Å | 1.38Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 120.0° | 120.1° |
| C7 | C6 | C5 | 120.3° | 119.9° |
| C6 | C7 | H12 | 120.0° | 120.0° |
| C7 | C6 | H11 | 119.9° | 120.1° |
| C7 | C8 | C9 | 120.1° | 120.2° |
| C7 | C8 | H13 | 120.0° | 119.9° |
| C8 | C7 | H12 | 120.0° | 120.0° |
| C6 | C5 | N1 | 114.1° | 120.0° |
| C6 | C5 | C10 | 120.1° | 119.8° |
| C5 | C6 | H11 | 119.8° | 120.0° |
| C8 | C9 | C10 | 121.1° | 120.1° |
| C9 | C8 | H13 | 120.0° | 120.0° |
| C8 | C9 | H14 | 119.4° | 119.9° |
| N1 | C2 | C1 | 113.6° | 109.4° |
| C2 | N1 | C5 | 119.1° | 111.0° |
| C2 | N1 | C3 | 121.7° | 110.9° |
| N1 | C2 | H6 | 108.4° | 109.5° |
| N1 | C2 | H5 | 108.4° | 109.5° |
| C2 | C1 | N | 110.9° | 109.4° |
| C1 | C2 | H6 | 108.4° | 109.5° |
| C1 | C2 | H5 | 108.5° | 109.5° |
| C2 | C1 | H4 | 109.1° | 109.5° |
| C2 | C1 | H3 | 109.1° | 109.5° |
| N1 | C5 | C10 | 125.7° | 120.1° |
| C5 | N1 | C3 | 118.7° | 111.0° |
| C5 | C10 | C9 | 118.4° | 120.0° |
| C5 | C10 | C11 | 124.0° | 120.0° |
| C9 | C10 | C11 | 117.6° | 120.0° |
| C10 | C9 | H14 | 119.5° | 120.0° |
| N1 | C3 | C4 | 112.5° | 109.4° |
| N1 | C3 | H8 | 108.7° | 109.4° |
| N1 | C3 | H7 | 108.7° | 109.5° |
| C1 | N | C | 110.9° | 111.0° |
| C1 | N | C4 | 109.1° | 110.9° |
| N | C1 | H4 | 109.1° | 109.5° |
| N | C1 | H3 | 109.1° | 109.4° |
| C | N | C4 | 110.7° | 111.0° |
| N | C | H1 | 109.5° | 109.4° |
| N | C | H | 109.5° | 109.5° |
| N | C | H2 | 109.5° | 109.5° |
| N | C4 | C3 | 110.9° | 109.4° |
| N | C4 | H10 | 109.1° | 109.5° |
| N | C4 | H9 | 109.1° | 109.5° |
| C10 | C11 | N2 | 109.2° | 109.4° |
| C10 | C11 | H15 | 109.5° | 109.5° |
| C10 | C11 | H16 | 109.6° | 109.4° |
| C4 | C3 | H8 | 108.7° | 109.5° |
| C4 | C3 | H7 | 108.7° | 109.5° |
| C3 | C4 | H10 | 109.1° | 109.5° |
| C3 | C4 | H9 | 109.1° | 109.5° |
| C11 | N2 | C12 | 122.9° | 120.0° |
| N2 | C11 | H15 | 109.6° | 109.5° |
| N2 | C11 | H16 | 109.6° | 109.5° |
| C11 | N2 | H17 | 106.0° | 120.0° |
| N2 | C12 | C13 | 124.2° | 119.6° |
| N2 | C12 | N3 | 112.7° | 119.5° |
| C12 | N2 | H17 | 106.0° | 120.0° |
| C12 | C13 | C14 | 118.4° | 119.4° |
| C13 | C12 | N3 | 123.0° | 120.9° |
| C12 | C13 | H18 | 120.8° | 120.3° |
| C13 | C14 | C15 | 118.9° | 118.5° |
| C13 | C14 | H19 | 120.6° | 120.8° |
| C14 | C13 | H18 | 120.8° | 120.3° |
| C12 | N3 | C16 | 115.9° | 121.6° |
| C14 | C15 | C16 | 119.2° | 119.1° |
| C14 | C15 | C17 | 119.0° | 120.5° |
| C15 | C14 | H19 | 120.5° | 120.8° |
| N3 | C16 | C15 | 124.6° | 120.5° |
| N3 | C16 | H20 | 117.7° | 119.7° |
| C16 | C15 | C17 | 121.8° | 120.5° |
| C15 | C16 | H20 | 117.7° | 119.8° |
| C15 | C17 | O | 123.4° | 120.1° |
| C15 | C17 | N4 | 116.2° | 120.0° |
| O | C17 | N4 | 120.4° | 120.0° |
| C17 | N4 | H21 | 120.0° | 120.0° |
| C17 | N4 | H22 | 120.0° | 120.0° |
| H6 | C2 | H5 | 109.4° | 109.5° |
| H8 | C3 | H7 | 109.4° | 109.5° |
| H4 | C1 | H3 | 109.5° | 109.5° |
| H10 | C4 | H9 | 109.5° | 109.4° |
| H1 | C | H | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.4° |
| H | C | H2 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.4° | 109.5° |
| H21 | N4 | H22 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H12 | 180.0° | 179.9° |
| C7 | C6 | C5 | H11 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C6 | C5 | N1 | 176.2° | 180.0° |
| C7 | C6 | C5 | C10 | 1.0° | 0.2° |
| C6 | C7 | C8 | H13 | 179.5° | 179.7° |
| C8 | C7 | C6 | C5 | 0.0° | 0.0° |
| C7 | C8 | C9 | H13 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.0° | 0.2° |
| C7 | C8 | C9 | H14 | 180.0° | 179.7° |
| C8 | C7 | C6 | H11 | 180.0° | 179.9° |
| C6 | C5 | N1 | C2 | 102.2° | 60.1° |
| C6 | C5 | N1 | C10 | 177.1° | 179.8° |
| C6 | C5 | C10 | C9 | 1.5° | 0.4° |
| C6 | C5 | N1 | C3 | 69.4° | 63.7° |
| C6 | C5 | C10 | C11 | 176.4° | 179.9° |
| C5 | C6 | C7 | H12 | 180.0° | 179.9° |
| C8 | C9 | C10 | C5 | 1.0° | 0.4° |
| C8 | C9 | C10 | H14 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 177.1° | 180.0° |
| C9 | C8 | C7 | H12 | 179.5° | 179.9° |
| N1 | C2 | C1 | H6 | 120.6° | 120.0° |
| N1 | C2 | C1 | H5 | 120.6° | 120.0° |
| C2 | N1 | C5 | C3 | 171.6° | 123.8° |
| C2 | N1 | C5 | C10 | 74.9° | 119.8° |
| N1 | C2 | C1 | N | 41.7° | 58.4° |
| C2 | N1 | C3 | C4 | 24.6° | 59.3° |
| N1 | C2 | H6 | H5 | 118.1° | 120.1° |
| C2 | N1 | C3 | H8 | 95.9° | 179.3° |
| C2 | N1 | C3 | H7 | 145.0° | 60.7° |
| N1 | C2 | C1 | H4 | 78.6° | 61.6° |
| N1 | C2 | C1 | H3 | 161.9° | 178.3° |
| C1 | C2 | N1 | C5 | 165.7° | 176.8° |
| C1 | C2 | N1 | C3 | 23.0° | 59.3° |
| C2 | C1 | N | H4 | 120.2° | 120.0° |
| C2 | C1 | N | H3 | 120.2° | 119.9° |
| C2 | C1 | N | C | 173.1° | 176.8° |
| C2 | C1 | N | C4 | 64.7° | 59.3° |
| C1 | C2 | H6 | H5 | 118.1° | 120.1° |
| C2 | C1 | H4 | H3 | 119.4° | 120.1° |
| N1 | C5 | C10 | C9 | 175.4° | 179.8° |
| N1 | C5 | C10 | C11 | 6.6° | 0.2° |
| C5 | N1 | C3 | C4 | 164.1° | 176.8° |
| N1 | C5 | C6 | H11 | 3.7° | 0.1° |
| C5 | N1 | C2 | H6 | 45.0° | 63.3° |
| C5 | N1 | C2 | H5 | 73.7° | 56.8° |
| C5 | N1 | C3 | H8 | 75.4° | 56.9° |
| C5 | N1 | C3 | H7 | 43.6° | 63.2° |
| C5 | C10 | C9 | C11 | 178.1° | 179.6° |
| C10 | C5 | N1 | C3 | 113.5° | 116.4° |
| C5 | C10 | C11 | N2 | 61.1° | 79.6° |
| C5 | C10 | C9 | H14 | 179.0° | 179.5° |
| C10 | C5 | C6 | H11 | 179.0° | 179.7° |
| C5 | C10 | C11 | H15 | 178.9° | 160.5° |
| C5 | C10 | C11 | H16 | 58.9° | 40.4° |
| C9 | C10 | C11 | N2 | 116.8° | 100.0° |
| C10 | C9 | C8 | H13 | 180.0° | 179.9° |
| C9 | C10 | C11 | H15 | 3.1° | 19.9° |
| C9 | C10 | C11 | H16 | 123.2° | 140.0° |
| N1 | C3 | C4 | N | 45.1° | 58.4° |
| N1 | C3 | C4 | H8 | 120.5° | 119.9° |
| N1 | C3 | C4 | H7 | 120.5° | 120.0° |
| C3 | N1 | C2 | H6 | 143.7° | 60.6° |
| C3 | N1 | C2 | H5 | 97.6° | 179.3° |
| N1 | C3 | H8 | H7 | 118.6° | 120.1° |
| N1 | C3 | C4 | H10 | 75.1° | 178.4° |
| N1 | C3 | C4 | H9 | 165.3° | 61.6° |
| C1 | N | C | C4 | 121.3° | 123.8° |
| C1 | N | C4 | C3 | 66.9° | 59.3° |
| N | C1 | C2 | H6 | 162.3° | 61.5° |
| N | C1 | C2 | H5 | 79.0° | 178.4° |
| N | C1 | H4 | H3 | 119.3° | 120.0° |
| C1 | N | C4 | H10 | 53.4° | 179.3° |
| C1 | N | C4 | H9 | 172.9° | 60.6° |
| C1 | N | C | H1 | 180.0° | 60.0° |
| C1 | N | C | H | 60.0° | 180.0° |
| C1 | N | C | H2 | 60.0° | 59.9° |
| C | N | C4 | C3 | 170.8° | 176.8° |
| C | N | C1 | H4 | 66.7° | 63.2° |
| C | N | C1 | H3 | 52.9° | 56.9° |
| C | N | C4 | H10 | 68.9° | 56.8° |
| C | N | C4 | H9 | 50.6° | 63.2° |
| N | C | H1 | H | 120.0° | 120.0° |
| N | C | H1 | H2 | 120.0° | 119.9° |
| N | C | H | H2 | 120.0° | 120.0° |
| N | C4 | C3 | H10 | 120.2° | 120.0° |
| N | C4 | C3 | H9 | 120.2° | 120.0° |
| N | C4 | C3 | H8 | 75.4° | 178.3° |
| N | C4 | C3 | H7 | 165.6° | 61.6° |
| C4 | N | C1 | H4 | 55.6° | 60.7° |
| C4 | N | C1 | H3 | 175.1° | 179.3° |
| N | C4 | H10 | H9 | 119.4° | 120.1° |
| C4 | N | C | H1 | 58.7° | 176.2° |
| C4 | N | C | H | 61.3° | 56.2° |
| C4 | N | C | H2 | 178.7° | 63.8° |
| C10 | C11 | N2 | H15 | 120.0° | 120.0° |
| C10 | C11 | N2 | H16 | 120.0° | 120.0° |
| C10 | C11 | N2 | C12 | 68.2° | 180.0° |
| C11 | C10 | C9 | H14 | 2.9° | 0.1° |
| C10 | C11 | H15 | H16 | 120.1° | 120.0° |
| C10 | C11 | N2 | H17 | 169.9° | 0.0° |
| C4 | C3 | H8 | H7 | 118.6° | 120.1° |
| C3 | C4 | H10 | H9 | 119.3° | 120.0° |
| C11 | N2 | C12 | H17 | 121.8° | 179.9° |
| C11 | N2 | C12 | C13 | 2.2° | 0.0° |
| C11 | N2 | C12 | N3 | 174.8° | 180.0° |
| N2 | C11 | H15 | H16 | 120.1° | 120.1° |
| N2 | C12 | C13 | N3 | 176.7° | 180.0° |
| N2 | C12 | C13 | C14 | 175.4° | 180.0° |
| N2 | C12 | N3 | C16 | 175.6° | 179.7° |
| N2 | C12 | C13 | H18 | 4.5° | 0.0° |
| C12 | N2 | C11 | H15 | 51.7° | 60.1° |
| C12 | N2 | C11 | H16 | 171.8° | 60.0° |
| C12 | C13 | C14 | H18 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C12 | N3 | C16 | 1.5° | 0.3° |
| C12 | C13 | C14 | H19 | 180.0° | 179.7° |
| C13 | C12 | N2 | H17 | 119.6° | 180.0° |
| C14 | C13 | C12 | N3 | 1.3° | 0.0° |
| C13 | C14 | C15 | H19 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 0.9° | 0.2° |
| C13 | C14 | C15 | C17 | 178.6° | 179.7° |
| C12 | N3 | C16 | C15 | 0.5° | 0.6° |
| N3 | C12 | C13 | H18 | 178.7° | 180.0° |
| C12 | N3 | C16 | H20 | 179.5° | 180.0° |
| N3 | C12 | N2 | H17 | 63.4° | 0.0° |
| C14 | C15 | C16 | N3 | 0.7° | 0.5° |
| C14 | C15 | C16 | C17 | 179.5° | 179.9° |
| C14 | C15 | C17 | O | 15.4° | 0.0° |
| C14 | C15 | C17 | N4 | 164.5° | 180.0° |
| C15 | C14 | C13 | H18 | 180.0° | 180.0° |
| C14 | C15 | C16 | H20 | 179.3° | 180.0° |
| N3 | C16 | C15 | H20 | 180.0° | 179.5° |
| N3 | C16 | C15 | C17 | 178.8° | 179.4° |
| C16 | C15 | C17 | O | 165.2° | 179.9° |
| C16 | C15 | C17 | N4 | 15.0° | 0.1° |
| C16 | C15 | C14 | H19 | 179.1° | 180.0° |
| C15 | C17 | O | N4 | 179.8° | 180.0° |
| C17 | C15 | C14 | H19 | 1.4° | 0.1° |
| C17 | C15 | C16 | H20 | 1.2° | 0.1° |
| C15 | C17 | N4 | H21 | 179.9° | 0.0° |
| C15 | C17 | N4 | H22 | 0.2° | 179.9° |
| O | C17 | N4 | H21 | 0.0° | 180.0° |
| O | C17 | N4 | H22 | 180.0° | 0.1° |
| C17 | N4 | H21 | H22 | 179.9° | 179.9° |
| H13 | C8 | C7 | H12 | 0.5° | 0.3° |
| H13 | C8 | C9 | H14 | 0.0° | 0.0° |
| H12 | C7 | C6 | H11 | 0.0° | 0.0° |
| H19 | C14 | C13 | H18 | 0.0° | 0.3° |
| H6 | C2 | C1 | H4 | 42.1° | 178.4° |
| H6 | C2 | C1 | H3 | 77.5° | 58.4° |
| H5 | C2 | C1 | H4 | 160.8° | 58.4° |
| H5 | C2 | C1 | H3 | 41.2° | 61.7° |
| H8 | C3 | C4 | H10 | 164.4° | 61.7° |
| H8 | C3 | C4 | H9 | 44.8° | 58.3° |
| H7 | C3 | C4 | H10 | 45.3° | 58.4° |
| H7 | C3 | C4 | H9 | 74.2° | 178.4° |
| H1 | C | H | H2 | 120.0° | 120.0° |
| H15 | C11 | N2 | H17 | 70.1° | 120.0° |
| H16 | C11 | N2 | H17 | 50.0° | 119.9° |
