7JM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| N17 | C16 | doub | 1.32Å | 1.36Å | Aromatic |
| N17 | C18 | sing | 1.32Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.34Å | Aromatic |
| C18 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C2 | sing | 1.48Å | 1.48Å | |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | O5 | sing | 1.36Å | 1.36Å | |
| O12 | C11 | doub | 1.22Å | 1.24Å | |
| C11 | N10 | sing | 1.35Å | 1.36Å | |
| C7 | N8 | sing | 1.36Å | 1.38Å | |
| N10 | C9 | sing | 1.36Å | 1.36Å | |
| N8 | C9 | doub | 1.30Å | 1.33Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O5 | H4 | sing | 0.97Å | 0.95Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | N17 | 115.2° | 119.7° |
| C19 | C18 | C13 | 124.4° | 119.7° |
| C18 | C19 | H9 | 109.5° | 109.5° |
| C18 | C19 | H10 | 109.5° | 109.5° |
| C18 | C19 | H11 | 109.4° | 109.5° |
| C16 | N17 | C18 | 119.4° | 121.8° |
| N17 | C16 | C15 | 122.9° | 121.0° |
| N17 | C16 | H8 | 118.5° | 119.5° |
| N17 | C18 | C13 | 120.4° | 120.6° |
| C16 | C15 | C14 | 119.2° | 119.3° |
| C16 | C15 | H1 | 120.4° | 120.4° |
| C15 | C16 | H8 | 118.6° | 119.5° |
| C18 | C13 | C14 | 117.5° | 118.9° |
| C18 | C13 | C2 | 122.6° | 120.5° |
| C15 | C14 | C13 | 120.6° | 118.3° |
| C14 | C15 | H1 | 120.4° | 120.3° |
| C15 | C14 | H7 | 119.7° | 120.9° |
| C14 | C13 | C2 | 119.9° | 120.6° |
| C13 | C14 | H7 | 119.7° | 120.8° |
| C13 | C2 | C1 | 123.1° | 119.9° |
| C13 | C2 | C3 | 119.2° | 119.8° |
| C1 | C2 | C3 | 117.7° | 120.3° |
| C2 | C1 | C6 | 120.4° | 119.6° |
| C2 | C1 | H2 | 119.8° | 120.2° |
| C2 | C3 | C4 | 122.0° | 120.7° |
| C2 | C3 | H3 | 119.0° | 119.6° |
| C1 | C6 | C11 | 121.4° | 121.8° |
| C1 | C6 | C7 | 121.2° | 120.2° |
| C6 | C1 | H2 | 119.8° | 120.2° |
| C3 | C4 | C7 | 119.5° | 119.7° |
| C3 | C4 | O5 | 122.8° | 120.1° |
| C4 | C3 | H3 | 119.0° | 119.7° |
| C11 | C6 | C7 | 117.4° | 118.0° |
| C6 | C11 | O12 | 125.0° | 121.3° |
| C6 | C11 | N10 | 115.0° | 117.4° |
| C6 | C7 | C4 | 119.0° | 119.5° |
| C6 | C7 | N8 | 123.6° | 119.0° |
| C7 | C4 | O5 | 117.7° | 120.1° |
| C4 | C7 | N8 | 117.3° | 121.5° |
| C4 | O5 | H4 | 109.5° | 114.0° |
| O12 | C11 | N10 | 119.9° | 121.2° |
| C11 | N10 | C9 | 124.3° | 120.5° |
| C11 | N10 | H6 | 117.8° | 119.7° |
| C7 | N8 | C9 | 117.1° | 121.7° |
| N10 | C9 | N8 | 122.6° | 123.3° |
| N10 | C9 | H5 | 118.7° | 118.3° |
| C9 | N10 | H6 | 117.9° | 119.7° |
| N8 | C9 | H5 | 118.7° | 118.4° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H9 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | N17 | C16 | 176.9° | 179.4° |
| C19 | C18 | N17 | C13 | 180.0° | 180.0° |
| C19 | C18 | C13 | C14 | 178.0° | 180.0° |
| C19 | C18 | C13 | C2 | 1.5° | 0.3° |
| C18 | C19 | H9 | H10 | 120.0° | 120.0° |
| C18 | C19 | H9 | H11 | 120.0° | 120.0° |
| C18 | C19 | H10 | H11 | 120.0° | 120.0° |
| N17 | C16 | C15 | H8 | 180.0° | 179.4° |
| C16 | N17 | C18 | C13 | 3.1° | 0.6° |
| N17 | C16 | C15 | C14 | 1.0° | 0.6° |
| N17 | C16 | C15 | H1 | 179.0° | 179.4° |
| C18 | N17 | C16 | C15 | 2.6° | 0.9° |
| N17 | C18 | C13 | C14 | 2.0° | 0.1° |
| N17 | C18 | C13 | C2 | 178.5° | 179.7° |
| C18 | N17 | C16 | H8 | 177.4° | 179.7° |
| N17 | C18 | C19 | H9 | 0.0° | 95.4° |
| N17 | C18 | C19 | H10 | 120.0° | 144.6° |
| N17 | C18 | C19 | H11 | 120.0° | 24.6° |
| C16 | C15 | C14 | H1 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | H7 | 179.9° | 180.0° |
| C18 | C13 | C14 | C15 | 0.4° | 0.3° |
| C18 | C13 | C14 | C2 | 179.5° | 179.7° |
| C18 | C13 | C2 | C1 | 48.6° | 55.8° |
| C18 | C13 | C2 | C3 | 131.7° | 125.1° |
| C18 | C13 | C14 | H7 | 179.6° | 179.7° |
| C13 | C18 | C19 | H9 | 180.0° | 84.7° |
| C13 | C18 | C19 | H10 | 60.1° | 35.3° |
| C13 | C18 | C19 | H11 | 59.9° | 155.3° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C15 | C14 | C13 | C2 | 179.9° | 180.0° |
| C14 | C15 | C16 | H8 | 179.0° | 180.0° |
| C14 | C13 | C2 | C1 | 131.9° | 123.9° |
| C14 | C13 | C2 | C3 | 47.8° | 55.2° |
| C13 | C14 | C15 | H1 | 179.9° | 180.0° |
| C13 | C2 | C1 | C3 | 179.7° | 179.1° |
| C13 | C2 | C1 | C6 | 178.2° | 180.0° |
| C13 | C2 | C3 | C4 | 178.1° | 179.7° |
| C13 | C2 | C1 | H2 | 1.8° | 0.6° |
| C13 | C2 | C3 | H3 | 1.9° | 0.3° |
| C2 | C13 | C14 | H7 | 0.1° | 0.1° |
| C2 | C1 | C6 | H2 | 180.0° | 179.4° |
| C1 | C2 | C3 | C4 | 1.7° | 0.6° |
| C2 | C1 | C6 | C11 | 178.5° | 179.5° |
| C2 | C1 | C6 | C7 | 2.9° | 0.7° |
| C1 | C2 | C3 | H3 | 178.4° | 179.4° |
| C3 | C2 | C1 | C6 | 1.6° | 0.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C7 | 2.9° | 0.0° |
| C2 | C3 | C4 | O5 | 178.7° | 179.7° |
| C3 | C2 | C1 | H2 | 178.4° | 179.7° |
| C1 | C6 | C11 | C7 | 178.7° | 179.8° |
| C1 | C6 | C7 | C4 | 4.1° | 0.1° |
| C1 | C6 | C11 | O12 | 5.2° | 0.1° |
| C1 | C6 | C11 | N10 | 178.2° | 179.9° |
| C1 | C6 | C7 | N8 | 179.7° | 179.9° |
| C3 | C4 | C7 | C6 | 4.1° | 0.3° |
| C3 | C4 | C7 | O5 | 178.5° | 179.7° |
| C3 | C4 | C7 | N8 | 179.5° | 179.8° |
| C3 | C4 | O5 | H4 | 180.0° | 90.4° |
| C11 | C6 | C7 | C4 | 177.3° | 179.9° |
| C6 | C11 | O12 | N10 | 176.5° | 179.9° |
| C11 | C6 | C7 | N8 | 1.1° | 0.1° |
| C6 | C11 | N10 | C9 | 1.1° | 0.1° |
| C11 | C6 | C1 | H2 | 1.5° | 0.1° |
| C6 | C11 | N10 | H6 | 178.9° | 180.0° |
| C6 | C7 | C4 | N8 | 176.4° | 180.0° |
| C6 | C7 | C4 | O5 | 177.5° | 179.9° |
| C7 | C6 | C11 | O12 | 176.2° | 180.0° |
| C7 | C6 | C11 | N10 | 0.5° | 0.1° |
| C6 | C7 | N8 | C9 | 2.1° | 0.0° |
| C7 | C6 | C1 | H2 | 177.2° | 179.9° |
| C4 | C7 | N8 | C9 | 178.3° | 180.0° |
| C7 | C4 | C3 | H3 | 177.1° | 180.0° |
| C7 | C4 | O5 | H4 | 1.5° | 90.0° |
| O5 | C4 | C7 | N8 | 1.0° | 0.1° |
| O5 | C4 | C3 | H3 | 1.3° | 0.3° |
| O12 | C11 | N10 | C9 | 175.7° | 180.0° |
| O12 | C11 | N10 | H6 | 4.2° | 0.0° |
| C11 | N10 | C9 | H6 | 180.0° | 180.0° |
| C11 | N10 | C9 | N8 | 0.1° | 0.0° |
| C11 | N10 | C9 | H5 | 179.9° | 180.0° |
| C7 | N8 | C9 | N10 | 1.5° | 0.0° |
| C7 | N8 | C9 | H5 | 178.5° | 180.0° |
| N10 | C9 | N8 | H5 | 180.0° | 180.0° |
| N8 | C9 | N10 | H6 | 179.9° | 180.0° |
| H1 | C15 | C14 | H7 | 0.2° | 0.0° |
| H1 | C15 | C16 | H8 | 1.0° | 0.0° |
| H5 | C9 | N10 | H6 | 0.1° | 0.0° |
| H9 | C19 | H10 | H11 | 120.1° | 120.0° |
