DVO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C6 | doub | 1.22Å | 1.25Å | |
| C6 | O3 | sing | 1.35Å | 1.25Å | |
| C6 | C5 | sing | 1.48Å | 1.50Å | |
| O6 | C9 | doub | 1.21Å | 1.21Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C3 | sing | 1.48Å | 1.48Å | |
| C9 | N1 | sing | 1.34Å | 1.41Å | |
| C3 | C2 | doub | 1.41Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C10 | sing | 1.53Å | 1.55Å | |
| N1 | C10 | sing | 1.46Å | 1.48Å | |
| N1 | C1 | sing | 1.35Å | 1.41Å | |
| C2 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.49Å | |
| C13 | C10 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C11 | O4 | doub | 1.21Å | 1.21Å | |
| C11 | N2 | sing | 1.34Å | 1.38Å | |
| C15 | N2 | sing | 1.34Å | 1.38Å | |
| C15 | O5 | doub | 1.21Å | 1.22Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C6 | O3 | 124.5° | 120.0° |
| O2 | C6 | C5 | 117.7° | 120.0° |
| O3 | C6 | C5 | 117.8° | 120.0° |
| C6 | O3 | H12 | 109.5° | 117.0° |
| C6 | C5 | C4 | 117.9° | 120.0° |
| C6 | C5 | C7 | 121.7° | 119.9° |
| O6 | C9 | C3 | 127.6° | 125.6° |
| O6 | C9 | N1 | 126.2° | 125.7° |
| C5 | C4 | C3 | 117.8° | 119.7° |
| C4 | C5 | C7 | 120.4° | 120.1° |
| C5 | C4 | H1 | 121.1° | 120.2° |
| C4 | C3 | C9 | 129.5° | 134.2° |
| C4 | C3 | C2 | 121.9° | 119.9° |
| C3 | C4 | H1 | 121.1° | 120.2° |
| C5 | C7 | C8 | 121.1° | 120.3° |
| C5 | C7 | H4 | 119.4° | 119.8° |
| C3 | C9 | N1 | 106.2° | 108.6° |
| C9 | C3 | C2 | 108.6° | 105.9° |
| C9 | N1 | C10 | 127.2° | 124.4° |
| C9 | N1 | C1 | 110.5° | 111.1° |
| C3 | C2 | C8 | 121.1° | 120.1° |
| C3 | C2 | C1 | 108.1° | 105.8° |
| C7 | C8 | C2 | 117.6° | 119.9° |
| C8 | C7 | H4 | 119.4° | 119.8° |
| C7 | C8 | H5 | 121.2° | 120.1° |
| C12 | C10 | N1 | 113.4° | 109.5° |
| C12 | C10 | C13 | 108.3° | 109.5° |
| C12 | C10 | C11 | 104.7° | 109.5° |
| C10 | C12 | H6 | 109.5° | 109.4° |
| C10 | C12 | H7 | 109.5° | 109.5° |
| C10 | C12 | H8 | 109.4° | 109.5° |
| C10 | N1 | C1 | 120.3° | 124.5° |
| N1 | C10 | C13 | 112.9° | 109.6° |
| N1 | C10 | C11 | 106.0° | 109.5° |
| N1 | C1 | C2 | 106.4° | 108.5° |
| N1 | C1 | O1 | 124.9° | 125.7° |
| C8 | C2 | C1 | 130.8° | 134.1° |
| C2 | C8 | H5 | 121.2° | 120.1° |
| C2 | C1 | O1 | 128.7° | 125.8° |
| C10 | C13 | C14 | 110.7° | 108.6° |
| C13 | C10 | C11 | 111.3° | 109.2° |
| C10 | C13 | H9 | 109.2° | 109.6° |
| C10 | C13 | H10 | 109.2° | 109.6° |
| C13 | C14 | C15 | 113.4° | 109.2° |
| C13 | C14 | H2 | 108.5° | 109.5° |
| C13 | C14 | H3 | 108.5° | 109.6° |
| C14 | C13 | H9 | 109.1° | 109.6° |
| C14 | C13 | H10 | 109.1° | 109.6° |
| C10 | C11 | O4 | 121.3° | 119.4° |
| C10 | C11 | N2 | 118.2° | 121.3° |
| C14 | C15 | N2 | 116.9° | 121.3° |
| C14 | C15 | O5 | 123.1° | 119.3° |
| C15 | C14 | H2 | 108.5° | 109.6° |
| C15 | C14 | H3 | 108.5° | 109.5° |
| O4 | C11 | N2 | 120.5° | 119.3° |
| C11 | N2 | C15 | 126.6° | 122.6° |
| C11 | N2 | H11 | 116.7° | 118.7° |
| N2 | C15 | O5 | 120.0° | 119.4° |
| C15 | N2 | H11 | 116.7° | 118.7° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H6 | C12 | H8 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C6 | O3 | C5 | 179.4° | 180.0° |
| O2 | C6 | C5 | C4 | 0.0° | 0.1° |
| O2 | C6 | C5 | C7 | 179.2° | 180.0° |
| O2 | C6 | O3 | H12 | 0.0° | 0.0° |
| O3 | C6 | C5 | C4 | 179.4° | 180.0° |
| O3 | C6 | C5 | C7 | 0.2° | 0.0° |
| C6 | C5 | C4 | C7 | 179.2° | 179.9° |
| C6 | C5 | C4 | C3 | 179.8° | 180.0° |
| C6 | C5 | C7 | C8 | 179.6° | 180.0° |
| C6 | C5 | C4 | H1 | 0.2° | 0.2° |
| C6 | C5 | C7 | H4 | 0.4° | 0.0° |
| C5 | C6 | O3 | H12 | 179.4° | 180.0° |
| O6 | C9 | C3 | C4 | 3.2° | 0.1° |
| O6 | C9 | C3 | N1 | 178.8° | 179.9° |
| O6 | C9 | C3 | C2 | 176.5° | 180.0° |
| O6 | C9 | N1 | C10 | 10.5° | 0.1° |
| O6 | C9 | N1 | C1 | 174.4° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | C9 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.1° |
| C4 | C5 | C7 | C8 | 0.4° | 0.0° |
| C4 | C5 | C7 | H4 | 179.6° | 179.9° |
| C3 | C4 | C5 | C7 | 0.6° | 0.1° |
| C4 | C3 | C9 | C2 | 179.7° | 179.9° |
| C4 | C3 | C9 | N1 | 178.0° | 180.0° |
| C4 | C3 | C2 | C8 | 0.6° | 0.1° |
| C4 | C3 | C2 | C1 | 179.2° | 180.0° |
| C5 | C7 | C8 | H4 | 180.0° | 180.0° |
| C5 | C7 | C8 | C2 | 0.2° | 0.0° |
| C7 | C5 | C4 | H1 | 179.4° | 179.7° |
| C5 | C7 | C8 | H5 | 179.7° | 180.0° |
| C3 | C9 | N1 | C10 | 168.3° | 180.0° |
| C3 | C9 | N1 | C1 | 4.4° | 0.1° |
| C9 | C3 | C2 | C8 | 179.7° | 180.0° |
| C9 | C3 | C2 | C1 | 0.6° | 0.1° |
| C9 | C3 | C4 | H1 | 0.4° | 0.2° |
| N1 | C9 | C3 | C2 | 2.3° | 0.1° |
| C9 | N1 | C10 | C12 | 27.2° | 120.6° |
| C9 | N1 | C10 | C1 | 162.5° | 179.9° |
| C9 | N1 | C1 | C2 | 4.7° | 0.0° |
| C9 | N1 | C10 | C13 | 96.4° | 119.2° |
| C9 | N1 | C10 | C11 | 141.5° | 0.5° |
| C9 | N1 | C1 | O1 | 173.9° | 179.9° |
| C3 | C2 | C8 | C7 | 0.3° | 0.1° |
| C3 | C2 | C1 | N1 | 3.2° | 0.0° |
| C3 | C2 | C8 | C1 | 179.7° | 179.9° |
| C3 | C2 | C1 | O1 | 175.3° | 179.9° |
| C2 | C3 | C4 | H1 | 179.3° | 179.7° |
| C3 | C2 | C8 | H5 | 179.7° | 179.9° |
| C7 | C8 | C2 | H5 | 180.0° | 180.0° |
| C7 | C8 | C2 | C1 | 179.4° | 180.0° |
| C12 | C10 | N1 | C13 | 123.6° | 120.1° |
| C12 | C10 | N1 | C11 | 114.3° | 120.1° |
| C12 | C10 | N1 | C1 | 170.3° | 59.3° |
| C12 | C10 | C13 | C11 | 114.6° | 119.9° |
| C12 | C10 | C13 | C14 | 63.0° | 175.5° |
| C12 | C10 | C11 | O4 | 87.4° | 31.0° |
| C12 | C10 | C11 | N2 | 91.7° | 149.0° |
| C10 | C12 | H6 | H7 | 120.0° | 120.0° |
| C10 | C12 | H6 | H8 | 120.0° | 120.0° |
| C10 | C12 | H7 | H8 | 120.0° | 120.0° |
| C12 | C10 | C13 | H9 | 176.9° | 55.8° |
| C12 | C10 | C13 | H10 | 57.2° | 64.7° |
| C10 | N1 | C1 | C2 | 170.0° | 180.0° |
| N1 | C10 | C13 | C11 | 119.1° | 120.0° |
| N1 | C10 | C13 | C14 | 170.7° | 64.3° |
| C10 | N1 | C1 | O1 | 8.7° | 0.1° |
| N1 | C10 | C11 | O4 | 32.8° | 89.1° |
| N1 | C10 | C11 | N2 | 148.2° | 90.9° |
| N1 | C10 | C12 | H6 | 180.0° | 179.8° |
| N1 | C10 | C12 | H7 | 60.0° | 59.9° |
| N1 | C10 | C12 | H8 | 60.0° | 60.2° |
| N1 | C10 | C13 | H9 | 50.5° | 175.9° |
| N1 | C10 | C13 | H10 | 69.1° | 55.4° |
| N1 | C1 | C2 | C8 | 177.1° | 179.9° |
| N1 | C1 | C2 | O1 | 178.6° | 179.9° |
| C1 | N1 | C10 | C13 | 66.1° | 60.8° |
| C1 | N1 | C10 | C11 | 56.0° | 179.4° |
| C8 | C2 | C1 | O1 | 4.4° | 0.1° |
| C2 | C8 | C7 | H4 | 179.8° | 179.9° |
| C1 | C2 | C8 | H5 | 0.6° | 0.0° |
| C10 | C13 | C14 | H9 | 120.2° | 119.7° |
| C10 | C13 | C14 | H10 | 120.2° | 119.7° |
| C10 | C13 | C14 | C15 | 50.7° | 55.6° |
| C13 | C10 | C11 | O4 | 155.9° | 150.9° |
| C13 | C10 | C11 | N2 | 25.0° | 29.1° |
| C10 | C13 | C14 | H2 | 171.3° | 64.4° |
| C10 | C13 | C14 | H3 | 69.8° | 175.5° |
| C13 | C10 | C12 | H6 | 53.9° | 59.7° |
| C13 | C10 | C12 | H7 | 66.1° | 60.3° |
| C13 | C10 | C12 | H8 | 173.9° | 179.7° |
| C10 | C13 | H9 | H10 | 119.4° | 120.5° |
| C14 | C13 | C10 | C11 | 51.6° | 55.6° |
| C13 | C14 | C15 | H2 | 120.6° | 119.9° |
| C13 | C14 | C15 | H3 | 120.6° | 120.0° |
| C13 | C14 | C15 | N2 | 22.0° | 29.1° |
| C13 | C14 | C15 | O5 | 158.0° | 150.9° |
| C13 | C14 | H2 | H3 | 118.2° | 120.1° |
| C14 | C13 | H9 | H10 | 119.4° | 120.5° |
| C10 | C11 | O4 | N2 | 179.1° | 180.0° |
| C10 | C11 | N2 | C15 | 5.2° | 0.6° |
| C11 | C10 | C12 | H6 | 64.9° | 60.0° |
| C11 | C10 | C12 | H7 | 175.1° | 180.0° |
| C11 | C10 | C12 | H8 | 55.1° | 60.0° |
| C11 | C10 | C13 | H9 | 68.6° | 64.1° |
| C11 | C10 | C13 | H10 | 171.8° | 175.4° |
| C10 | C11 | N2 | H11 | 174.8° | 179.5° |
| C14 | C15 | N2 | C11 | 7.1° | 0.6° |
| C14 | C15 | N2 | O5 | 180.0° | 180.0° |
| C15 | C14 | H2 | H3 | 118.2° | 120.1° |
| C15 | C14 | C13 | H9 | 69.5° | 64.1° |
| C15 | C14 | C13 | H10 | 170.9° | 175.4° |
| C14 | C15 | N2 | H11 | 173.0° | 179.5° |
| O4 | C11 | N2 | C15 | 173.9° | 179.4° |
| O4 | C11 | N2 | H11 | 6.1° | 0.5° |
| C11 | N2 | C15 | H11 | 180.0° | 180.0° |
| C11 | N2 | C15 | O5 | 172.9° | 179.5° |
| N2 | C15 | C14 | H2 | 142.6° | 90.8° |
| N2 | C15 | C14 | H3 | 98.6° | 149.1° |
| O5 | C15 | C14 | H2 | 37.4° | 89.2° |
| O5 | C15 | C14 | H3 | 81.4° | 31.0° |
| O5 | C15 | N2 | H11 | 7.0° | 0.5° |
| H2 | C14 | C13 | H9 | 51.1° | 175.9° |
| H2 | C14 | C13 | H10 | 68.5° | 55.4° |
| H3 | C14 | C13 | H9 | 170.0° | 55.8° |
| H3 | C14 | C13 | H10 | 50.4° | 64.7° |
| H4 | C7 | C8 | H5 | 0.3° | 0.1° |
| H6 | C12 | H7 | H8 | 120.0° | 120.0° |
