UVD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | N1 | sing | 1.32Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| N | C2 | sing | 1.40Å | 1.42Å | |
| N | C1 | sing | 1.35Å | 1.41Å | |
| N1 | C10 | doub | 1.32Å | 1.38Å | Aromatic |
| C2 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C5 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C7 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| O | C1 | sing | 1.35Å | 1.38Å | |
| O | C | sing | 1.45Å | 1.42Å | |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 119.5° | 119.9° |
| C3 | C4 | C5 | 120.2° | 120.1° |
| C3 | C4 | H1 | 119.9° | 119.9° |
| C4 | C3 | H13 | 120.2° | 120.1° |
| C3 | C2 | N | 120.0° | 120.1° |
| C3 | C2 | C13 | 120.4° | 119.8° |
| C2 | C3 | H13 | 120.2° | 120.0° |
| C8 | C9 | N1 | 124.2° | 120.7° |
| C9 | C8 | C7 | 118.2° | 119.2° |
| C9 | C8 | H4 | 120.9° | 120.4° |
| C8 | C9 | H14 | 117.9° | 119.7° |
| C9 | N1 | C10 | 116.9° | 121.7° |
| N1 | C9 | H14 | 117.9° | 119.6° |
| C4 | C5 | C6 | 118.7° | 119.9° |
| C4 | C5 | C12 | 120.5° | 120.2° |
| C5 | C4 | H1 | 119.9° | 120.0° |
| C8 | C7 | C6 | 118.2° | 120.8° |
| C8 | C7 | C11 | 120.1° | 118.4° |
| C7 | C8 | H4 | 120.9° | 120.4° |
| C2 | N | C1 | 127.8° | 120.0° |
| N | C2 | C13 | 119.3° | 120.1° |
| C2 | N | H7 | 116.1° | 120.0° |
| N | C1 | O | 108.9° | 120.0° |
| N | C1 | O1 | 130.0° | 120.0° |
| C1 | N | H7 | 116.1° | 120.0° |
| N1 | C10 | C11 | 122.8° | 120.8° |
| N1 | C10 | H5 | 118.6° | 119.6° |
| C2 | C13 | C12 | 119.1° | 119.9° |
| C2 | C13 | H6 | 120.4° | 120.0° |
| C6 | C5 | C12 | 120.7° | 119.9° |
| C5 | C6 | C7 | 112.5° | 109.5° |
| C5 | C6 | H2 | 108.7° | 109.5° |
| C5 | C6 | H3 | 108.7° | 109.5° |
| C5 | C12 | C13 | 120.1° | 120.1° |
| C5 | C12 | H12 | 119.9° | 120.0° |
| C6 | C7 | C11 | 121.8° | 120.8° |
| C7 | C6 | H2 | 108.7° | 109.5° |
| C7 | C6 | H3 | 108.7° | 109.5° |
| C7 | C11 | C10 | 118.0° | 119.2° |
| C7 | C11 | H11 | 121.0° | 120.4° |
| C1 | O | C | 117.9° | 117.0° |
| O | C1 | O1 | 121.1° | 120.0° |
| O | C | H8 | 109.5° | 109.5° |
| O | C | H9 | 109.4° | 109.5° |
| O | C | H10 | 109.4° | 109.5° |
| C11 | C10 | H5 | 118.6° | 119.6° |
| C10 | C11 | H11 | 121.0° | 120.4° |
| C12 | C13 | H6 | 120.4° | 120.1° |
| C13 | C12 | H12 | 119.9° | 119.9° |
| H2 | C6 | H3 | 109.5° | 109.4° |
| H8 | C | H9 | 109.5° | 109.5° |
| H8 | C | H10 | 109.5° | 109.4° |
| H9 | C | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H13 | 180.0° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C4 | C3 | C2 | N | 170.4° | 179.8° |
| C4 | C3 | C2 | C13 | 3.2° | 0.5° |
| C3 | C4 | C5 | C6 | 174.3° | 179.7° |
| C3 | C4 | C5 | C12 | 2.3° | 0.2° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C2 | N | C13 | 173.7° | 179.2° |
| C3 | C2 | N | C1 | 138.4° | 35.8° |
| C3 | C2 | C13 | C12 | 3.3° | 0.8° |
| C2 | C3 | C4 | H1 | 179.6° | 179.8° |
| C3 | C2 | C13 | H6 | 176.7° | 179.7° |
| C3 | C2 | N | H7 | 41.6° | 144.2° |
| C8 | C9 | N1 | H14 | 180.0° | 180.0° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C8 | C9 | N1 | C10 | 0.1° | 0.0° |
| C9 | C8 | C7 | C6 | 180.0° | 180.0° |
| C9 | C8 | C7 | C11 | 0.9° | 0.0° |
| N1 | C9 | C8 | C7 | 1.0° | 0.0° |
| C9 | N1 | C10 | C11 | 0.8° | 0.0° |
| N1 | C9 | C8 | H4 | 179.0° | 180.0° |
| C9 | N1 | C10 | H5 | 179.2° | 180.0° |
| C4 | C5 | C6 | C12 | 176.6° | 179.9° |
| C4 | C5 | C6 | C7 | 94.1° | 90.0° |
| C4 | C5 | C12 | C13 | 2.2° | 0.1° |
| C4 | C5 | C6 | H2 | 26.4° | 150.0° |
| C4 | C5 | C6 | H3 | 145.5° | 30.0° |
| C4 | C5 | C12 | H12 | 177.8° | 180.0° |
| C5 | C4 | C3 | H13 | 179.6° | 180.0° |
| C8 | C7 | C6 | C5 | 103.7° | 90.0° |
| C8 | C7 | C6 | C11 | 179.0° | 180.0° |
| C8 | C7 | C11 | C10 | 0.1° | 0.0° |
| C8 | C7 | C6 | H2 | 16.7° | 150.0° |
| C8 | C7 | C6 | H3 | 135.9° | 30.0° |
| C8 | C7 | C11 | H11 | 179.9° | 180.0° |
| C7 | C8 | C9 | H14 | 179.0° | 180.0° |
| C2 | N | C1 | H7 | 180.0° | 180.0° |
| C2 | N | C1 | O | 176.9° | 175.4° |
| C2 | N | C1 | O1 | 5.8° | 4.7° |
| N | C2 | C13 | C12 | 170.3° | 179.9° |
| N | C2 | C13 | H6 | 9.7° | 0.5° |
| N | C2 | C3 | H13 | 9.6° | 0.3° |
| C1 | N | C2 | C13 | 35.2° | 144.9° |
| N | C1 | O | O1 | 177.6° | 180.0° |
| N | C1 | O | C | 179.9° | 180.0° |
| N1 | C10 | C11 | C7 | 0.8° | 0.0° |
| N1 | C10 | C11 | H5 | 180.0° | 179.9° |
| N1 | C10 | C11 | H11 | 179.1° | 180.0° |
| C10 | N1 | C9 | H14 | 179.9° | 180.0° |
| C2 | C13 | C12 | C5 | 0.6° | 0.6° |
| C2 | C13 | C12 | H6 | 180.0° | 179.4° |
| C13 | C2 | N | H7 | 144.8° | 35.0° |
| C2 | C13 | C12 | H12 | 179.4° | 179.5° |
| C13 | C2 | C3 | H13 | 176.8° | 179.5° |
| C5 | C6 | C7 | H2 | 120.4° | 120.0° |
| C5 | C6 | C7 | H3 | 120.4° | 120.0° |
| C5 | C6 | C7 | C11 | 77.3° | 90.0° |
| C6 | C5 | C12 | C13 | 174.4° | 180.0° |
| C6 | C5 | C4 | H1 | 5.7° | 0.1° |
| C5 | C6 | H2 | H3 | 118.6° | 120.0° |
| C6 | C5 | C12 | H12 | 5.6° | 0.1° |
| C12 | C5 | C6 | C7 | 89.3° | 89.9° |
| C5 | C12 | C13 | H12 | 180.0° | 179.9° |
| C12 | C5 | C4 | H1 | 177.7° | 180.0° |
| C12 | C5 | C6 | H2 | 150.2° | 30.1° |
| C12 | C5 | C6 | H3 | 31.1° | 150.1° |
| C5 | C12 | C13 | H6 | 179.4° | 180.0° |
| C6 | C7 | C11 | C10 | 179.1° | 180.0° |
| C7 | C6 | H2 | H3 | 118.6° | 120.0° |
| C6 | C7 | C8 | H4 | 0.0° | 0.0° |
| C6 | C7 | C11 | H11 | 1.0° | 0.0° |
| C7 | C11 | C10 | H11 | 180.0° | 180.0° |
| C11 | C7 | C6 | H2 | 162.3° | 30.0° |
| C11 | C7 | C6 | H3 | 43.1° | 150.0° |
| C11 | C7 | C8 | H4 | 179.0° | 180.0° |
| C7 | C11 | C10 | H5 | 179.2° | 180.0° |
| O | C1 | N | H7 | 3.1° | 4.6° |
| C1 | O | C | H8 | 180.0° | 180.0° |
| C1 | O | C | H9 | 60.0° | 59.9° |
| C1 | O | C | H10 | 60.0° | 60.1° |
| C | O | C1 | O1 | 2.5° | 0.0° |
| O | C | H8 | H9 | 120.0° | 120.1° |
| O | C | H8 | H10 | 120.0° | 120.0° |
| O | C | H9 | H10 | 120.0° | 120.0° |
| O1 | C1 | N | H7 | 174.2° | 175.4° |
| H1 | C4 | C3 | H13 | 0.4° | 0.2° |
| H4 | C8 | C9 | H14 | 1.0° | 0.0° |
| H5 | C10 | C11 | H11 | 0.8° | 0.0° |
| H6 | C13 | C12 | H12 | 0.6° | 0.0° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
