6JC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C16 | sing | 1.51Å | 1.48Å | |
| N4 | C2 | doub | 1.31Å | 1.35Å | Aromatic |
| N4 | C14 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | O17 | sing | 1.34Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.37Å | 1.38Å | Aromatic |
| O17 | N18 | sing | 1.21Å | 1.39Å | Aromatic |
| C14 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.41Å | 1.39Å | Aromatic |
| C15 | C1 | sing | 1.49Å | 1.44Å | |
| C15 | C19 | sing | 1.42Å | 1.42Å | Aromatic |
| C1 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N7 | C9 | sing | 1.37Å | 1.37Å | Aromatic |
| N18 | C19 | doub | 1.30Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.48Å | |
| C13 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C11 | sing | 1.46Å | 1.42Å | Aromatic |
| C9 | C11 | doub | 1.34Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C16 | O17 | 117.0° | 126.8° |
| C24 | C16 | C15 | 134.6° | 126.9° |
| C16 | C24 | H241 | 109.5° | 109.5° |
| C16 | C24 | H243 | 109.5° | 109.4° |
| C16 | C24 | H242 | 109.5° | 109.5° |
| C2 | N4 | C14 | 113.2° | 121.8° |
| N4 | C2 | C1 | 126.1° | 121.4° |
| N4 | C2 | H2 | 117.0° | 119.3° |
| N4 | C14 | N7 | 125.1° | 133.0° |
| N4 | C14 | C13 | 127.0° | 120.0° |
| C2 | C1 | C15 | 121.0° | 120.4° |
| C2 | C1 | C5 | 118.2° | 119.1° |
| C1 | C2 | H2 | 117.0° | 119.3° |
| O17 | C16 | C15 | 108.4° | 106.2° |
| C16 | O17 | N18 | 110.1° | 111.8° |
| C16 | C15 | C1 | 124.4° | 128.1° |
| C16 | C15 | C19 | 104.9° | 103.7° |
| O17 | N18 | C19 | 105.3° | 112.0° |
| N7 | C14 | C13 | 107.9° | 107.0° |
| C14 | N7 | C9 | 109.8° | 110.0° |
| C14 | N7 | H7 | 125.1° | 125.0° |
| C14 | C13 | C5 | 117.3° | 119.6° |
| C14 | C13 | C11 | 106.6° | 106.2° |
| C1 | C15 | C19 | 130.6° | 128.2° |
| C15 | C1 | C5 | 120.8° | 120.4° |
| C15 | C19 | N18 | 111.3° | 106.3° |
| C15 | C19 | C20 | 127.8° | 126.8° |
| C1 | C5 | C13 | 118.2° | 118.0° |
| C1 | C5 | H5 | 120.9° | 121.0° |
| N7 | C9 | C11 | 107.8° | 109.9° |
| C9 | N7 | H7 | 125.1° | 125.0° |
| N7 | C9 | H9 | 126.1° | 125.0° |
| N18 | C19 | C20 | 120.9° | 126.9° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.4° | 109.4° |
| C19 | C20 | H201 | 109.5° | 109.4° |
| C5 | C13 | C11 | 136.0° | 134.2° |
| C13 | C5 | H5 | 120.9° | 121.0° |
| C13 | C11 | C9 | 107.9° | 106.9° |
| C13 | C11 | H11 | 126.1° | 126.5° |
| C11 | C9 | H9 | 126.1° | 125.0° |
| C9 | C11 | H11 | 126.0° | 126.6° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H203 | C20 | H201 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H243 | C24 | H242 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C16 | O17 | C15 | 179.8° | 180.0° |
| C24 | C16 | O17 | N18 | 180.0° | 179.9° |
| C24 | C16 | C15 | C1 | 0.6° | 0.1° |
| C24 | C16 | C15 | C19 | 179.9° | 179.8° |
| C16 | C24 | H241 | H243 | 120.0° | 120.0° |
| C16 | C24 | H241 | H242 | 120.0° | 120.0° |
| C16 | C24 | H243 | H242 | 120.0° | 120.0° |
| N4 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | N4 | C14 | N7 | 179.8° | 180.0° |
| C2 | N4 | C14 | C13 | 0.0° | 0.1° |
| N4 | C2 | C1 | C15 | 179.9° | 179.7° |
| N4 | C2 | C1 | C5 | 0.5° | 0.0° |
| C14 | N4 | C2 | C1 | 0.3° | 0.0° |
| N4 | C14 | N7 | C13 | 179.8° | 180.0° |
| N4 | C14 | N7 | C9 | 179.7° | 179.9° |
| N4 | C14 | C13 | C5 | 0.1° | 0.1° |
| N4 | C14 | C13 | C11 | 179.8° | 180.0° |
| C14 | N4 | C2 | H2 | 179.7° | 180.0° |
| N4 | C14 | N7 | H7 | 0.4° | 0.0° |
| C2 | C1 | C15 | C16 | 48.0° | 115.6° |
| C2 | C1 | C15 | C5 | 179.4° | 179.7° |
| C2 | C1 | C15 | C19 | 131.3° | 64.7° |
| C2 | C1 | C5 | C13 | 0.3° | 0.0° |
| C2 | C1 | C5 | H5 | 179.7° | 180.0° |
| O17 | C16 | C15 | C1 | 179.7° | 180.0° |
| O17 | C16 | C15 | C19 | 0.2° | 0.3° |
| C16 | O17 | N18 | C19 | 0.2° | 0.3° |
| O17 | C16 | C24 | H241 | 0.0° | 0.0° |
| O17 | C16 | C24 | H243 | 120.0° | 120.0° |
| O17 | C16 | C24 | H242 | 120.0° | 120.1° |
| C15 | C16 | O17 | N18 | 0.2° | 0.0° |
| C16 | C15 | C1 | C19 | 179.4° | 179.6° |
| C16 | C15 | C1 | C5 | 132.5° | 64.6° |
| C16 | C15 | C19 | N18 | 0.1° | 0.4° |
| C16 | C15 | C19 | C20 | 179.9° | 179.8° |
| C15 | C16 | C24 | H241 | 179.7° | 180.0° |
| C15 | C16 | C24 | H243 | 59.7° | 60.0° |
| C15 | C16 | C24 | H242 | 60.3° | 60.0° |
| O17 | N18 | C19 | C15 | 0.1° | 0.5° |
| O17 | N18 | C19 | C20 | 179.9° | 179.7° |
| C14 | N7 | C9 | H7 | 180.0° | 179.9° |
| N7 | C14 | C13 | C5 | 179.9° | 180.0° |
| N7 | C14 | C13 | C11 | 0.0° | 0.0° |
| C14 | N7 | C9 | C11 | 0.3° | 0.0° |
| C14 | N7 | C9 | H9 | 179.7° | 180.0° |
| C14 | C13 | C5 | C1 | 0.1° | 0.1° |
| C13 | C14 | N7 | C9 | 0.1° | 0.0° |
| C14 | C13 | C5 | C11 | 179.9° | 179.9° |
| C14 | C13 | C11 | C9 | 0.2° | 0.0° |
| C14 | C13 | C5 | H5 | 179.9° | 180.0° |
| C13 | C14 | N7 | H7 | 179.8° | 179.9° |
| C14 | C13 | C11 | H11 | 179.8° | 180.0° |
| C1 | C15 | C19 | N18 | 179.5° | 179.8° |
| C1 | C15 | C19 | C20 | 0.5° | 0.1° |
| C15 | C1 | C5 | C13 | 179.8° | 179.7° |
| C15 | C1 | C2 | H2 | 0.1° | 0.3° |
| C15 | C1 | C5 | H5 | 0.2° | 0.2° |
| C19 | C15 | C1 | C5 | 48.1° | 115.0° |
| C15 | C19 | N18 | C20 | 180.0° | 179.8° |
| C15 | C19 | C20 | H202 | 180.0° | 90.0° |
| C15 | C19 | C20 | H203 | 60.0° | 150.0° |
| C15 | C19 | C20 | H201 | 60.0° | 30.0° |
| C1 | C5 | C13 | H5 | 180.0° | 179.9° |
| C1 | C5 | C13 | C11 | 180.0° | 180.0° |
| C5 | C1 | C2 | H2 | 179.6° | 180.0° |
| N7 | C9 | C11 | C13 | 0.3° | 0.1° |
| N7 | C9 | C11 | H9 | 180.0° | 179.9° |
| N7 | C9 | C11 | H11 | 179.7° | 180.0° |
| N18 | C19 | C20 | H202 | 0.0° | 89.8° |
| N18 | C19 | C20 | H203 | 120.0° | 30.3° |
| N18 | C19 | C20 | H201 | 120.0° | 150.2° |
| C19 | C20 | H202 | H203 | 120.0° | 120.0° |
| C19 | C20 | H202 | H201 | 120.0° | 119.9° |
| C19 | C20 | H203 | H201 | 120.0° | 119.9° |
| C5 | C13 | C11 | C9 | 179.7° | 180.0° |
| C5 | C13 | C11 | H11 | 0.3° | 0.1° |
| C13 | C11 | C9 | H11 | 180.0° | 179.9° |
| C11 | C13 | C5 | H5 | 0.0° | 0.1° |
| C13 | C11 | C9 | H9 | 179.7° | 180.0° |
| C11 | C9 | N7 | H7 | 179.7° | 180.0° |
| H7 | N7 | C9 | H9 | 0.3° | 0.1° |
| H9 | C9 | C11 | H11 | 0.3° | 0.1° |
| H202 | C20 | H203 | H201 | 120.0° | 120.1° |
| H241 | C24 | H243 | H242 | 119.9° | 120.0° |
