OYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C11 | sing | 1.43Å | 1.42Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| O2 | C9 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | O1 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | O3 | sing | 1.43Å | 1.43Å | |
| O5 | C12 | doub | 1.22Å | 1.23Å | |
| N | C12 | sing | 1.34Å | 1.37Å | |
| N | C5 | sing | 1.36Å | 1.37Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C12 | N1 | sing | 1.34Å | 1.37Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | |
| N1 | C13 | sing | 1.35Å | 1.38Å | |
| C4 | C13 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | sing | 1.46Å | 1.46Å | |
| C13 | O6 | doub | 1.22Å | 1.22Å | |
| C3 | C2 | doub | 1.36Å | 1.33Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.40Å | 1.47Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| O1 | H19 | sing | 0.97Å | 0.95Å | |
| O2 | H20 | sing | 0.97Å | 0.95Å | |
| O3 | H21 | sing | 0.97Å | 0.95Å | |
| O4 | H22 | sing | 0.97Å | 0.95Å | |
| C1 | O7 | doub | 1.21Å | 1.43Å | |
| N | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C11 | C10 | 110.8° | 109.5° |
| O4 | C11 | H13 | 109.2° | 109.4° |
| O4 | C11 | H14 | 109.2° | 109.5° |
| C11 | O4 | H22 | 109.5° | 114.0° |
| C11 | C10 | C9 | 111.1° | 109.5° |
| C11 | C10 | O3 | 108.4° | 109.4° |
| C11 | C10 | H12 | 109.2° | 109.5° |
| C10 | C11 | H13 | 109.2° | 109.4° |
| C10 | C11 | H14 | 109.1° | 109.5° |
| O2 | C9 | C8 | 109.2° | 109.5° |
| O2 | C9 | C10 | 108.4° | 109.5° |
| O2 | C9 | H11 | 109.4° | 109.4° |
| C9 | O2 | H20 | 109.5° | 114.0° |
| C8 | C7 | C6 | 113.8° | 109.5° |
| C7 | C8 | C9 | 114.3° | 109.5° |
| C7 | C8 | O1 | 110.3° | 109.4° |
| C8 | C7 | H8 | 108.4° | 109.5° |
| C8 | C7 | H9 | 108.4° | 109.5° |
| C7 | C8 | H10 | 106.9° | 109.4° |
| C7 | C6 | C5 | 113.5° | 109.5° |
| C7 | C6 | H6 | 108.5° | 109.5° |
| C7 | C6 | H7 | 108.5° | 109.5° |
| C6 | C7 | H8 | 108.4° | 109.5° |
| C6 | C7 | H9 | 108.4° | 109.5° |
| C9 | C8 | O1 | 110.1° | 109.5° |
| C8 | C9 | C10 | 113.7° | 109.5° |
| C9 | C8 | H10 | 106.9° | 109.5° |
| C8 | C9 | H11 | 108.1° | 109.5° |
| O1 | C8 | H10 | 108.1° | 109.5° |
| C8 | O1 | H19 | 109.5° | 114.0° |
| C9 | C10 | O3 | 108.6° | 109.5° |
| C10 | C9 | H11 | 108.1° | 109.5° |
| C9 | C10 | H12 | 109.1° | 109.5° |
| O3 | C10 | H12 | 110.5° | 109.5° |
| C10 | O3 | H21 | 109.5° | 114.0° |
| O5 | C12 | N | 122.3° | 118.9° |
| O5 | C12 | N1 | 121.9° | 118.9° |
| C12 | N | C5 | 123.8° | 121.5° |
| N | C12 | N1 | 115.8° | 122.2° |
| C12 | N | H1 | 118.1° | 119.2° |
| N | C5 | C6 | 116.1° | 120.4° |
| N | C5 | C4 | 118.4° | 119.2° |
| C5 | N | H1 | 118.1° | 119.2° |
| C6 | C5 | C4 | 125.6° | 120.4° |
| C5 | C6 | H6 | 108.5° | 109.5° |
| C5 | C6 | H7 | 108.4° | 109.5° |
| C12 | N1 | C13 | 126.5° | 120.5° |
| C12 | N1 | H18 | 116.7° | 119.7° |
| C5 | C4 | C13 | 121.3° | 118.0° |
| C5 | C4 | C3 | 117.1° | 121.0° |
| N1 | C13 | C4 | 114.3° | 118.5° |
| N1 | C13 | O6 | 119.3° | 120.7° |
| C13 | N1 | H18 | 116.7° | 119.8° |
| C13 | C4 | C3 | 121.6° | 121.0° |
| C4 | C13 | O6 | 126.5° | 120.7° |
| C4 | C3 | C2 | 125.1° | 120.0° |
| C4 | C3 | H4 | 117.5° | 120.0° |
| C3 | C2 | C1 | 126.4° | 120.0° |
| C3 | C2 | H3 | 116.8° | 119.9° |
| C2 | C3 | H4 | 117.5° | 120.0° |
| C | C1 | C2 | 119.2° | 120.0° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.4° | 109.4° |
| C | C1 | O7 | 78.0° | 120.0° |
| C1 | C2 | H3 | 116.8° | 120.0° |
| C2 | C1 | O7 | 162.2° | 120.0° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H8 | C7 | H9 | 109.4° | 109.4° |
| H13 | C11 | H14 | 109.4° | 109.5° |
| H15 | C | H16 | 109.4° | 109.5° |
| H15 | C | H17 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C11 | C10 | H13 | 120.2° | 119.9° |
| O4 | C11 | C10 | H14 | 120.2° | 120.0° |
| O4 | C11 | C10 | C9 | 159.6° | 175.0° |
| O4 | C11 | C10 | O3 | 40.3° | 65.1° |
| O4 | C11 | C10 | H12 | 80.1° | 55.0° |
| O4 | C11 | H13 | H14 | 119.4° | 120.0° |
| C11 | C10 | C9 | O2 | 67.8° | 60.0° |
| C11 | C10 | C9 | C8 | 53.8° | 180.0° |
| C11 | C10 | C9 | O3 | 119.2° | 119.9° |
| C11 | C10 | C9 | H12 | 120.4° | 120.0° |
| C11 | C10 | O3 | H12 | 119.6° | 120.0° |
| C11 | C10 | C9 | H11 | 173.7° | 60.0° |
| C10 | C11 | H13 | H14 | 119.4° | 120.0° |
| C11 | C10 | O3 | H21 | 180.0° | 60.0° |
| C10 | C11 | O4 | H22 | 180.0° | 180.0° |
| O2 | C9 | C8 | C7 | 48.7° | 60.0° |
| O2 | C9 | C8 | C10 | 121.1° | 120.0° |
| O2 | C9 | C8 | H11 | 118.9° | 120.0° |
| O2 | C9 | C8 | O1 | 173.4° | 180.0° |
| O2 | C9 | C10 | H11 | 118.5° | 120.0° |
| O2 | C9 | C10 | O3 | 51.4° | 180.0° |
| O2 | C9 | C8 | H10 | 69.4° | 60.0° |
| O2 | C9 | C10 | H12 | 171.8° | 60.0° |
| C8 | C7 | C6 | H8 | 120.7° | 120.0° |
| C8 | C7 | C6 | H9 | 120.7° | 120.0° |
| C7 | C8 | C9 | O1 | 124.8° | 120.0° |
| C7 | C8 | C9 | H10 | 118.0° | 120.0° |
| C7 | C8 | O1 | H10 | 116.5° | 119.9° |
| C7 | C8 | C9 | C10 | 169.8° | 180.0° |
| C8 | C7 | C6 | C5 | 110.4° | 180.0° |
| C8 | C7 | C6 | H6 | 129.0° | 60.0° |
| C8 | C7 | C6 | H7 | 10.2° | 60.0° |
| C8 | C7 | H8 | H9 | 118.0° | 120.0° |
| C7 | C8 | C9 | H11 | 70.3° | 60.0° |
| C7 | C8 | O1 | H19 | 180.0° | 60.1° |
| C6 | C7 | C8 | C9 | 77.7° | 175.0° |
| C6 | C7 | C8 | O1 | 47.0° | 65.0° |
| C7 | C6 | C5 | N | 30.8° | 85.0° |
| C7 | C6 | C5 | H6 | 120.6° | 120.0° |
| C7 | C6 | C5 | H7 | 120.6° | 120.0° |
| C7 | C6 | C5 | C4 | 148.8° | 95.0° |
| C7 | C6 | H6 | H7 | 118.2° | 120.0° |
| C6 | C7 | H8 | H9 | 118.0° | 120.0° |
| C6 | C7 | C8 | H10 | 164.3° | 55.0° |
| C9 | C8 | O1 | H10 | 116.4° | 120.0° |
| C8 | C9 | C10 | H11 | 119.9° | 120.0° |
| C8 | C9 | C10 | O3 | 173.0° | 60.0° |
| C9 | C8 | C7 | H8 | 42.9° | 55.0° |
| C9 | C8 | C7 | H9 | 161.6° | 65.0° |
| C8 | C9 | C10 | H12 | 66.6° | 60.0° |
| C9 | C8 | O1 | H19 | 52.9° | 59.9° |
| C8 | C9 | O2 | H20 | 180.0° | 60.0° |
| O1 | C8 | C9 | C10 | 65.4° | 60.0° |
| O1 | C8 | C7 | H8 | 167.6° | 175.0° |
| O1 | C8 | C7 | H9 | 73.7° | 55.0° |
| O1 | C8 | C9 | H11 | 54.5° | 60.0° |
| C9 | C10 | O3 | H12 | 119.6° | 120.1° |
| C10 | C9 | C8 | H10 | 51.8° | 60.0° |
| C9 | C10 | C11 | H13 | 39.4° | 55.0° |
| C9 | C10 | C11 | H14 | 80.2° | 65.0° |
| C10 | C9 | O2 | H20 | 55.7° | 59.9° |
| C9 | C10 | O3 | H21 | 59.2° | 60.0° |
| O3 | C10 | C9 | H11 | 67.1° | 60.0° |
| O3 | C10 | C11 | H13 | 79.9° | 175.0° |
| O3 | C10 | C11 | H14 | 160.5° | 55.0° |
| O5 | C12 | N | N1 | 179.5° | 179.9° |
| O5 | C12 | N | C5 | 179.2° | 180.0° |
| O5 | C12 | N1 | C13 | 179.3° | 179.9° |
| O5 | C12 | N1 | H18 | 0.7° | 0.0° |
| O5 | C12 | N | H1 | 0.8° | 0.1° |
| C12 | N | C5 | H1 | 180.0° | 180.0° |
| C12 | N | C5 | C6 | 179.4° | 180.0° |
| C12 | N | C5 | C4 | 0.2° | 0.0° |
| N | C12 | N1 | C13 | 0.2° | 0.0° |
| N | C12 | N1 | H18 | 179.8° | 180.0° |
| N | C5 | C6 | C4 | 179.6° | 180.0° |
| C5 | N | C12 | N1 | 0.3° | 0.0° |
| N | C5 | C4 | C13 | 0.0° | 0.0° |
| N | C5 | C4 | C3 | 179.4° | 179.8° |
| N | C5 | C6 | H6 | 151.4° | 35.0° |
| N | C5 | C6 | H7 | 89.8° | 155.0° |
| C6 | C5 | C4 | C13 | 179.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.2° |
| C5 | C6 | H6 | H7 | 118.1° | 120.0° |
| C5 | C6 | C7 | H8 | 10.3° | 60.0° |
| C5 | C6 | C7 | H9 | 129.0° | 60.0° |
| C6 | C5 | N | H1 | 0.6° | 0.0° |
| C12 | N1 | C13 | H18 | 180.0° | 180.0° |
| C12 | N1 | C13 | C4 | 0.0° | 0.0° |
| C12 | N1 | C13 | O6 | 179.7° | 179.7° |
| N1 | C12 | N | H1 | 179.7° | 180.0° |
| C5 | C4 | C13 | N1 | 0.1° | 0.0° |
| C5 | C4 | C13 | C3 | 179.4° | 179.8° |
| C5 | C4 | C13 | O6 | 179.6° | 179.7° |
| C5 | C4 | C3 | C2 | 169.8° | 174.5° |
| C5 | C4 | C3 | H4 | 10.1° | 5.6° |
| C4 | C5 | C6 | H6 | 28.2° | 145.0° |
| C4 | C5 | C6 | H7 | 90.6° | 25.0° |
| C4 | C5 | N | H1 | 179.8° | 180.0° |
| N1 | C13 | C4 | O6 | 179.7° | 179.7° |
| N1 | C13 | C4 | C3 | 179.3° | 179.8° |
| C13 | C4 | C3 | C2 | 10.7° | 5.7° |
| C13 | C4 | C3 | H4 | 169.3° | 174.1° |
| C4 | C13 | N1 | H18 | 180.0° | 180.0° |
| C3 | C4 | C13 | O6 | 1.0° | 0.1° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 173.0° | 176.5° |
| C4 | C3 | C2 | H3 | 7.0° | 3.6° |
| O6 | C13 | N1 | H18 | 0.2° | 0.4° |
| C3 | C2 | C1 | C | 0.1° | 179.8° |
| C3 | C2 | C1 | H3 | 180.0° | 179.9° |
| C3 | C2 | C1 | O7 | 165.0° | 0.1° |
| C | C1 | C2 | O7 | 165.1° | 179.7° |
| C | C1 | C2 | H3 | 179.9° | 0.3° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H17 | 120.0° | 119.9° |
| C1 | C2 | C3 | H4 | 7.0° | 3.4° |
| C2 | C1 | C | H15 | 175.4° | 179.7° |
| C2 | C1 | C | H16 | 64.6° | 60.3° |
| C2 | C1 | C | H17 | 55.4° | 59.7° |
| H3 | C2 | C3 | H4 | 173.0° | 176.5° |
| H3 | C2 | C1 | O7 | 15.0° | 180.0° |
| H6 | C6 | C7 | H8 | 110.3° | 180.0° |
| H6 | C6 | C7 | H9 | 8.3° | 60.0° |
| H7 | C6 | C7 | H8 | 130.9° | 60.0° |
| H7 | C6 | C7 | H9 | 110.5° | 180.0° |
| H8 | C7 | C8 | H10 | 75.1° | 65.0° |
| H9 | C7 | C8 | H10 | 43.6° | 175.0° |
| H10 | C8 | C9 | H11 | 171.7° | 179.9° |
| H10 | C8 | O1 | H19 | 63.5° | 180.0° |
| H11 | C9 | C10 | H12 | 53.3° | 180.0° |
| H11 | C9 | O2 | H20 | 61.9° | 180.0° |
| H12 | C10 | C11 | H13 | 159.7° | 65.0° |
| H12 | C10 | C11 | H14 | 40.1° | 175.0° |
| H12 | C10 | O3 | H21 | 60.4° | 179.9° |
| H13 | C11 | O4 | H22 | 59.8° | 60.1° |
| H14 | C11 | O4 | H22 | 59.8° | 60.0° |
| H15 | C | H16 | H17 | 120.0° | 120.0° |
| H15 | C | C1 | O7 | 0.0° | 0.0° |
| H16 | C | C1 | O7 | 120.0° | 120.0° |
| H17 | C | C1 | O7 | 120.0° | 120.0° |
