J23
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| O16 | C15 | sing | 1.36Å | 1.39Å | |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C8 | sing | 1.51Å | 1.59Å | |
| C8 | O10 | sing | 1.43Å | 1.16Å | |
| C8 | C2 | sing | 1.53Å | 1.53Å | |
| N4 | C2 | sing | 1.47Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| N4 | H9 | sing | 1.01Å | 1.00Å | |
| N4 | H10 | sing | 1.01Å | 1.00Å | |
| O16 | H12 | sing | 0.97Å | 0.95Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| O10 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 119.7° | 119.9° |
| C14 | C13 | C12 | 119.7° | 120.1° |
| C14 | C13 | H6 | 120.2° | 119.9° |
| C13 | C14 | H7 | 120.2° | 120.0° |
| C14 | C15 | O16 | 117.6° | 120.0° |
| C14 | C15 | C17 | 121.1° | 119.9° |
| C15 | C14 | H7 | 120.1° | 120.0° |
| O16 | C15 | C17 | 121.4° | 120.1° |
| C15 | O16 | H12 | 109.5° | 114.0° |
| C13 | C12 | C11 | 121.0° | 120.1° |
| C13 | C12 | H5 | 119.5° | 119.9° |
| C12 | C13 | H6 | 120.1° | 120.0° |
| C15 | C17 | C11 | 119.1° | 120.0° |
| C15 | C17 | H8 | 120.5° | 120.0° |
| C12 | C11 | C17 | 119.5° | 120.0° |
| C12 | C11 | C8 | 115.5° | 120.0° |
| C11 | C12 | H5 | 119.5° | 119.9° |
| C17 | C11 | C8 | 125.0° | 120.0° |
| C11 | C17 | H8 | 120.4° | 120.0° |
| C11 | C8 | O10 | 121.3° | 109.4° |
| C11 | C8 | C2 | 123.4° | 109.5° |
| C11 | C8 | H13 | 91.6° | 109.4° |
| O10 | C8 | C2 | 115.1° | 109.5° |
| O10 | C8 | H13 | 92.2° | 109.5° |
| C8 | O10 | H11 | 109.5° | 114.1° |
| C8 | C2 | N4 | 113.9° | 109.4° |
| C8 | C2 | C1 | 110.5° | 109.5° |
| C8 | C2 | H4 | 105.9° | 109.5° |
| C2 | C8 | H13 | 91.7° | 109.5° |
| N4 | C2 | C1 | 113.1° | 109.4° |
| N4 | C2 | H4 | 107.0° | 109.4° |
| C2 | N4 | H9 | 109.5° | 111.0° |
| C2 | N4 | H10 | 109.5° | 111.0° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 105.7° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H9 | N4 | H10 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H7 | 180.0° | 180.0° |
| C13 | C14 | C15 | O16 | 179.0° | 180.0° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C13 | C14 | C15 | C17 | 0.4° | 0.2° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C14 | C13 | C12 | H5 | 179.8° | 180.0° |
| C14 | C15 | O16 | C17 | 178.6° | 179.8° |
| C15 | C14 | C13 | C12 | 0.3° | 0.0° |
| C14 | C15 | C17 | C11 | 0.1° | 0.6° |
| C15 | C14 | C13 | H6 | 179.7° | 180.0° |
| C14 | C15 | C17 | H8 | 179.9° | 180.0° |
| C14 | C15 | O16 | H12 | 180.0° | 90.0° |
| O16 | C15 | C17 | C11 | 178.6° | 179.7° |
| O16 | C15 | C14 | H7 | 0.9° | 0.0° |
| O16 | C15 | C17 | H8 | 1.3° | 0.3° |
| C13 | C12 | C11 | H5 | 180.0° | 180.0° |
| C13 | C12 | C11 | C17 | 0.6° | 0.3° |
| C13 | C12 | C11 | C8 | 178.8° | 180.0° |
| C12 | C13 | C14 | H7 | 179.7° | 180.0° |
| C15 | C17 | C11 | C12 | 0.4° | 0.6° |
| C15 | C17 | C11 | H8 | 180.0° | 179.4° |
| C15 | C17 | C11 | C8 | 178.9° | 179.7° |
| C17 | C15 | C14 | H7 | 179.6° | 179.8° |
| C17 | C15 | O16 | H12 | 1.3° | 89.8° |
| C12 | C11 | C17 | C8 | 179.3° | 179.7° |
| C12 | C11 | C8 | O10 | 73.3° | 35.0° |
| C12 | C11 | C8 | C2 | 100.1° | 85.0° |
| C11 | C12 | C13 | H6 | 179.8° | 180.0° |
| C12 | C11 | C17 | H8 | 179.6° | 180.0° |
| C12 | C11 | C8 | H13 | 166.8° | 155.0° |
| C17 | C11 | C8 | O10 | 107.3° | 144.7° |
| C17 | C11 | C8 | C2 | 79.2° | 95.3° |
| C17 | C11 | C12 | H5 | 179.4° | 179.7° |
| C17 | C11 | C8 | H13 | 13.8° | 24.7° |
| C11 | C8 | O10 | C2 | 174.0° | 120.0° |
| C11 | C8 | O10 | H13 | 93.2° | 120.0° |
| C11 | C8 | C2 | H13 | 93.0° | 120.0° |
| C11 | C8 | C2 | N4 | 7.4° | 60.0° |
| C11 | C8 | C2 | C1 | 121.3° | 180.0° |
| C11 | C8 | C2 | H4 | 124.7° | 60.0° |
| C8 | C11 | C12 | H5 | 1.2° | 0.0° |
| C8 | C11 | C17 | H8 | 1.1° | 0.3° |
| C11 | C8 | O10 | H11 | 180.0° | 60.0° |
| O10 | C8 | C2 | H13 | 93.2° | 120.0° |
| O10 | C8 | C2 | N4 | 166.4° | 180.0° |
| O10 | C8 | C2 | C1 | 64.9° | 60.0° |
| O10 | C8 | C2 | H4 | 49.1° | 60.0° |
| C8 | C2 | N4 | C1 | 127.3° | 120.0° |
| C8 | C2 | N4 | H4 | 116.7° | 120.0° |
| C8 | C2 | C1 | H4 | 114.2° | 120.1° |
| C8 | C2 | C1 | H1 | 180.0° | 60.0° |
| C8 | C2 | C1 | H2 | 60.0° | 180.0° |
| C8 | C2 | C1 | H3 | 60.0° | 59.9° |
| C8 | C2 | N4 | H9 | 180.0° | 64.0° |
| C8 | C2 | N4 | H10 | 60.0° | 60.0° |
| C2 | C8 | O10 | H11 | 6.0° | 60.0° |
| N4 | C2 | C1 | H4 | 116.7° | 120.0° |
| N4 | C2 | C1 | H1 | 50.9° | 180.0° |
| N4 | C2 | C1 | H2 | 69.1° | 60.0° |
| N4 | C2 | C1 | H3 | 170.9° | 60.0° |
| C2 | N4 | H9 | H10 | 120.0° | 124.0° |
| N4 | C2 | C8 | H13 | 100.4° | 60.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | N4 | H9 | 52.7° | 176.0° |
| C1 | C2 | N4 | H10 | 172.6° | 60.0° |
| C1 | C2 | C8 | H13 | 28.3° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 65.9° | 60.0° |
| H2 | C1 | C2 | H4 | 174.2° | 59.9° |
| H3 | C1 | C2 | H4 | 54.1° | 180.0° |
| H4 | C2 | N4 | H9 | 63.3° | 56.0° |
| H4 | C2 | N4 | H10 | 56.7° | 180.0° |
| H4 | C2 | C8 | H13 | 142.3° | 179.9° |
| H5 | C12 | C13 | H6 | 0.2° | 0.0° |
| H6 | C13 | C14 | H7 | 0.3° | 0.0° |
| H13 | C8 | O10 | H11 | 86.8° | 180.0° |
