PV0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C16 | sing | 1.36Å | 1.37Å | |
| O01 | C02 | sing | 1.36Å | 1.38Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | N10 | sing | 1.47Å | 1.44Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | O19 | sing | 1.36Å | 1.37Å | |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.47Å | |
| N10 | C11 | sing | 1.47Å | 1.42Å | |
| N10 | S09 | sing | 1.66Å | 1.62Å | |
| O22 | S09 | doub | 1.42Å | 1.45Å | |
| S09 | C08 | sing | 1.76Å | 1.74Å | |
| S09 | O21 | doub | 1.42Å | 1.46Å | |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | O05 | sing | 1.36Å | 1.37Å | |
| C04 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| O05 | H3 | sing | 0.97Å | 0.95Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| O19 | H12 | sing | 0.97Å | 0.95Å | |
| O20 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C16 | C15 | 120.4° | 120.1° |
| O20 | C16 | C17 | 118.6° | 120.1° |
| C16 | O20 | H13 | 109.5° | 114.0° |
| O01 | C02 | C03 | 121.0° | 120.1° |
| O01 | C02 | C08 | 119.3° | 120.0° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C15 | C16 | C17 | 121.0° | 119.9° |
| C16 | C15 | C13 | 118.3° | 120.2° |
| C16 | C15 | H10 | 120.8° | 119.9° |
| C16 | C17 | C18 | 120.5° | 119.9° |
| C16 | C17 | H11 | 119.8° | 120.0° |
| C15 | C13 | C14 | 133.0° | 131.1° |
| C15 | C13 | C12 | 119.6° | 120.0° |
| C13 | C15 | H10 | 120.8° | 119.9° |
| C17 | C18 | C12 | 119.4° | 120.1° |
| C17 | C18 | O19 | 122.3° | 120.0° |
| C18 | C17 | H11 | 119.8° | 120.1° |
| C14 | C13 | C12 | 107.4° | 108.9° |
| C13 | C14 | N10 | 104.4° | 107.7° |
| C13 | C14 | H8 | 110.7° | 109.8° |
| C13 | C14 | H9 | 110.7° | 109.9° |
| C13 | C12 | C18 | 121.2° | 120.0° |
| C13 | C12 | C11 | 110.4° | 108.9° |
| C14 | N10 | C11 | 110.9° | 106.9° |
| C14 | N10 | S09 | 110.5° | 126.6° |
| N10 | C14 | H8 | 110.7° | 109.8° |
| N10 | C14 | H9 | 110.7° | 109.8° |
| C03 | C02 | C08 | 119.7° | 120.0° |
| C02 | C03 | C04 | 119.4° | 119.9° |
| C02 | C03 | H2 | 120.3° | 120.1° |
| C02 | C08 | S09 | 119.9° | 120.0° |
| C02 | C08 | C07 | 120.7° | 120.1° |
| C12 | C18 | O19 | 118.3° | 120.0° |
| C18 | C12 | C11 | 128.5° | 131.1° |
| C18 | O19 | H12 | 109.5° | 114.0° |
| C03 | C04 | O05 | 120.6° | 120.0° |
| C03 | C04 | C06 | 120.6° | 119.9° |
| C04 | C03 | H2 | 120.3° | 120.1° |
| C12 | C11 | N10 | 105.2° | 107.7° |
| C12 | C11 | H6 | 110.5° | 109.8° |
| C12 | C11 | H7 | 110.5° | 109.9° |
| C11 | N10 | S09 | 127.1° | 126.5° |
| N10 | C11 | H6 | 110.5° | 109.8° |
| N10 | C11 | H7 | 110.6° | 109.8° |
| N10 | S09 | O22 | 110.5° | 106.4° |
| N10 | S09 | C08 | 103.7° | 107.2° |
| N10 | S09 | O21 | 109.8° | 106.4° |
| O22 | S09 | C08 | 116.0° | 106.4° |
| O22 | S09 | O21 | 109.1° | 123.2° |
| C08 | S09 | O21 | 107.6° | 106.4° |
| S09 | C08 | C07 | 119.5° | 119.9° |
| C08 | C07 | C06 | 119.5° | 120.1° |
| C08 | C07 | H5 | 120.2° | 120.0° |
| O05 | C04 | C06 | 118.8° | 120.0° |
| C04 | O05 | H3 | 109.5° | 114.1° |
| C04 | C06 | C07 | 120.2° | 120.1° |
| C04 | C06 | H4 | 119.9° | 120.0° |
| C07 | C06 | H4 | 119.9° | 120.0° |
| C06 | C07 | H5 | 120.2° | 119.9° |
| H6 | C11 | H7 | 109.4° | 109.8° |
| H8 | C14 | H9 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C16 | C15 | C17 | 179.9° | 179.9° |
| O20 | C16 | C15 | C13 | 179.8° | 179.9° |
| O20 | C16 | C17 | C18 | 180.0° | 179.7° |
| O20 | C16 | C15 | H10 | 0.2° | 0.1° |
| O20 | C16 | C17 | H11 | 0.0° | 0.0° |
| O01 | C02 | C03 | C08 | 179.2° | 179.8° |
| O01 | C02 | C03 | C04 | 179.9° | 180.0° |
| O01 | C02 | C08 | S09 | 0.4° | 0.0° |
| O01 | C02 | C08 | C07 | 179.5° | 179.8° |
| O01 | C02 | C03 | H2 | 0.1° | 0.0° |
| C16 | C15 | C13 | H10 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.3° |
| C16 | C15 | C13 | C14 | 179.5° | 180.0° |
| C16 | C15 | C13 | C12 | 0.1° | 0.0° |
| C15 | C16 | C17 | H11 | 179.8° | 180.0° |
| C15 | C16 | O20 | H13 | 180.0° | 90.0° |
| C17 | C16 | C15 | C13 | 0.1° | 0.0° |
| C16 | C17 | C18 | H11 | 180.0° | 179.7° |
| C16 | C17 | C18 | C12 | 0.4° | 0.5° |
| C16 | C17 | C18 | O19 | 179.9° | 180.0° |
| C17 | C16 | C15 | H10 | 179.9° | 180.0° |
| C17 | C16 | O20 | H13 | 0.2° | 90.0° |
| C15 | C13 | C14 | C12 | 179.7° | 180.0° |
| C15 | C13 | C14 | N10 | 172.3° | 180.0° |
| C15 | C13 | C12 | C18 | 0.1° | 0.3° |
| C15 | C13 | C12 | C11 | 180.0° | 180.0° |
| C15 | C13 | C14 | H8 | 53.1° | 60.5° |
| C15 | C13 | C14 | H9 | 68.6° | 60.5° |
| C17 | C18 | C12 | C13 | 0.4° | 0.5° |
| C17 | C18 | C12 | O19 | 179.5° | 179.5° |
| C17 | C18 | C12 | C11 | 179.7° | 179.7° |
| C17 | C18 | O19 | H12 | 180.0° | 90.0° |
| C13 | C14 | N10 | H8 | 119.2° | 119.5° |
| C13 | C14 | N10 | H9 | 119.2° | 119.6° |
| C14 | C13 | C12 | C18 | 179.8° | 179.8° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C13 | C14 | N10 | C11 | 12.8° | 0.0° |
| C13 | C14 | N10 | S09 | 159.1° | 180.0° |
| C13 | C14 | H8 | H9 | 122.4° | 121.0° |
| C14 | C13 | C15 | H10 | 0.5° | 0.0° |
| C12 | C13 | C14 | N10 | 7.4° | 0.0° |
| C13 | C12 | C18 | C11 | 179.9° | 179.7° |
| C13 | C12 | C18 | O19 | 179.9° | 180.0° |
| C13 | C12 | C11 | N10 | 8.0° | 0.0° |
| C13 | C12 | C11 | H6 | 111.4° | 119.5° |
| C13 | C12 | C11 | H7 | 127.3° | 119.5° |
| C12 | C13 | C14 | H8 | 126.6° | 119.5° |
| C12 | C13 | C14 | H9 | 111.8° | 119.5° |
| C12 | C13 | C15 | H10 | 179.9° | 180.0° |
| C14 | N10 | C11 | C12 | 13.0° | 0.0° |
| C14 | N10 | C11 | S09 | 139.3° | 180.0° |
| C14 | N10 | S09 | O22 | 36.9° | 23.5° |
| C14 | N10 | S09 | C08 | 161.8° | 90.0° |
| C14 | N10 | S09 | O21 | 83.4° | 156.5° |
| C14 | N10 | C11 | H6 | 106.3° | 119.5° |
| C14 | N10 | C11 | H7 | 132.3° | 119.6° |
| N10 | C14 | H8 | H9 | 122.3° | 120.8° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C03 | C02 | C08 | S09 | 179.6° | 179.7° |
| C03 | C02 | C08 | C07 | 0.2° | 0.5° |
| C02 | C03 | C04 | O05 | 179.8° | 179.9° |
| C02 | C03 | C04 | C06 | 0.7° | 0.0° |
| C03 | C02 | O01 | H1 | 180.0° | 89.9° |
| C08 | C02 | C03 | C04 | 0.9° | 0.2° |
| C02 | C08 | S09 | N10 | 69.9° | 65.0° |
| C02 | C08 | S09 | O22 | 51.4° | 178.5° |
| C02 | C08 | S09 | C07 | 179.8° | 179.8° |
| C02 | C08 | S09 | O21 | 173.8° | 48.6° |
| C02 | C08 | C07 | C06 | 0.5° | 0.5° |
| C08 | C02 | O01 | H1 | 0.8° | 90.3° |
| C08 | C02 | C03 | H2 | 179.1° | 179.8° |
| C02 | C08 | C07 | H5 | 179.4° | 179.7° |
| C18 | C12 | C11 | N10 | 172.1° | 179.7° |
| C18 | C12 | C11 | H6 | 68.5° | 60.2° |
| C18 | C12 | C11 | H7 | 52.8° | 60.7° |
| C12 | C18 | C17 | H11 | 179.6° | 179.8° |
| C12 | C18 | O19 | H12 | 0.5° | 89.4° |
| O19 | C18 | C12 | C11 | 0.2° | 0.3° |
| O19 | C18 | C17 | H11 | 0.1° | 0.3° |
| C03 | C04 | O05 | C06 | 179.1° | 179.9° |
| C03 | C04 | C06 | C07 | 0.1° | 0.1° |
| C03 | C04 | O05 | H3 | 180.0° | 90.0° |
| C03 | C04 | C06 | H4 | 179.9° | 180.0° |
| C12 | C11 | N10 | H6 | 119.3° | 119.5° |
| C12 | C11 | N10 | H7 | 119.3° | 119.6° |
| C12 | C11 | N10 | S09 | 152.3° | 179.9° |
| C12 | C11 | H6 | H7 | 121.9° | 121.0° |
| C11 | N10 | S09 | O22 | 176.4° | 156.5° |
| C11 | N10 | S09 | C08 | 58.7° | 90.0° |
| C11 | N10 | S09 | O21 | 56.1° | 23.5° |
| N10 | C11 | H6 | H7 | 122.0° | 120.8° |
| C11 | N10 | C14 | H8 | 132.0° | 119.5° |
| C11 | N10 | C14 | H9 | 106.4° | 119.6° |
| N10 | S09 | O22 | C08 | 117.6° | 114.1° |
| N10 | S09 | O22 | O21 | 120.7° | 123.0° |
| N10 | S09 | C08 | O21 | 116.3° | 113.5° |
| N10 | S09 | C08 | C07 | 109.9° | 115.2° |
| S09 | N10 | C11 | H6 | 33.0° | 60.4° |
| S09 | N10 | C11 | H7 | 88.4° | 60.4° |
| S09 | N10 | C14 | H8 | 81.7° | 60.5° |
| S09 | N10 | C14 | H9 | 39.9° | 60.4° |
| O22 | S09 | C08 | O21 | 122.4° | 132.9° |
| O22 | S09 | C08 | C07 | 128.7° | 1.7° |
| S09 | C08 | C07 | C06 | 179.6° | 179.7° |
| S09 | C08 | C07 | H5 | 0.4° | 0.0° |
| O21 | S09 | C08 | C07 | 6.3° | 131.2° |
| C08 | C07 | C06 | C04 | 0.7° | 0.3° |
| C08 | C07 | C06 | H5 | 180.0° | 179.7° |
| C08 | C07 | C06 | H4 | 179.3° | 179.8° |
| O05 | C04 | C06 | C07 | 179.1° | 180.0° |
| O05 | C04 | C03 | H2 | 0.1° | 0.1° |
| O05 | C04 | C06 | H4 | 0.9° | 0.1° |
| C04 | C06 | C07 | H4 | 180.0° | 179.9° |
| C06 | C04 | C03 | H2 | 179.2° | 180.0° |
| C06 | C04 | O05 | H3 | 0.9° | 89.9° |
| C04 | C06 | C07 | H5 | 179.3° | 179.9° |
| H4 | C06 | C07 | H5 | 0.7° | 0.0° |
