OZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.55Å | 1.56Å | |
| C1 | C5 | sing | 1.54Å | 1.56Å | |
| C1 | O7 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.55Å | 1.54Å | |
| C2 | O8 | sing | 1.43Å | 1.42Å | |
| C3 | O4 | sing | 1.44Å | 1.45Å | |
| O4 | C5 | sing | 1.44Å | 1.45Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | C9 | doub | 1.31Å | 1.33Å | |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| C10 | N11 | sing | 1.47Å | 1.44Å | |
| N11 | C12 | sing | 1.35Å | 1.35Å | |
| C12 | C13 | sing | 1.48Å | 1.49Å | |
| C12 | O22 | doub | 1.22Å | 1.25Å | |
| C13 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | O20 | sing | 1.36Å | 1.36Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | O21 | sing | 1.36Å | 1.38Å | |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | N19 | sing | 1.48Å | 1.47Å | |
| N19 | O23 | doub | 1.22Å | 1.21Å | |
| N19 | O24 | sing | 1.22Å | 1.20Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 100.7° | 104.2° |
| C2 | C1 | O7 | 121.1° | 110.5° |
| C1 | C2 | C3 | 100.6° | 102.1° |
| C1 | C2 | O8 | 109.0° | 110.9° |
| C2 | C1 | H1 | 107.8° | 110.5° |
| C1 | C2 | H2 | 115.4° | 110.9° |
| C5 | C1 | O7 | 108.8° | 110.4° |
| C1 | C5 | O4 | 104.9° | 107.3° |
| C1 | C5 | C6 | 109.4° | 109.9° |
| C5 | C1 | H1 | 120.3° | 110.5° |
| C1 | C5 | H5 | 113.9° | 109.9° |
| O7 | C1 | H1 | 99.6° | 110.5° |
| C1 | O7 | HO7 | 109.5° | 113.9° |
| C3 | C2 | O8 | 109.7° | 110.9° |
| C2 | C3 | O4 | 106.2° | 103.5° |
| C3 | C2 | H2 | 114.8° | 110.9° |
| C2 | C3 | H3 | 110.6° | 110.6° |
| C2 | C3 | H3A | 110.6° | 110.7° |
| O8 | C2 | H2 | 107.2° | 110.9° |
| C2 | O8 | HO8 | 109.5° | 114.0° |
| C3 | O4 | C5 | 110.2° | 107.0° |
| O4 | C3 | H3 | 110.6° | 110.6° |
| O4 | C3 | H3A | 110.6° | 110.6° |
| O4 | C5 | C6 | 113.2° | 109.9° |
| O4 | C5 | H5 | 110.0° | 109.8° |
| C5 | C6 | C9 | 123.3° | 120.0° |
| C6 | C5 | H5 | 105.6° | 110.0° |
| C5 | C6 | H6 | 118.3° | 120.0° |
| C6 | C9 | C10 | 121.9° | 120.0° |
| C9 | C6 | H6 | 118.4° | 120.0° |
| C6 | C9 | H9 | 119.0° | 120.0° |
| C9 | C10 | N11 | 113.2° | 109.4° |
| C10 | C9 | H9 | 119.1° | 120.0° |
| C9 | C10 | H10 | 108.2° | 109.4° |
| C9 | C10 | H10A | 108.2° | 109.5° |
| C10 | N11 | C12 | 119.9° | 120.0° |
| N11 | C10 | H10 | 108.3° | 109.5° |
| N11 | C10 | H10A | 108.3° | 109.5° |
| C10 | N11 | HN11 | 120.0° | 120.0° |
| N11 | C12 | C13 | 120.7° | 120.0° |
| N11 | C12 | O22 | 120.1° | 120.0° |
| C12 | N11 | HN11 | 120.1° | 120.0° |
| C13 | C12 | O22 | 119.2° | 120.0° |
| C12 | C13 | C14 | 119.9° | 120.2° |
| C12 | C13 | C18 | 120.3° | 120.1° |
| C14 | C13 | C18 | 119.8° | 119.7° |
| C13 | C14 | C15 | 118.9° | 119.7° |
| C13 | C14 | O20 | 124.1° | 120.2° |
| C13 | C18 | C17 | 119.9° | 120.0° |
| C13 | C18 | H18 | 120.0° | 119.9° |
| C15 | C14 | O20 | 117.0° | 120.2° |
| C14 | C15 | C16 | 121.9° | 120.0° |
| C14 | C15 | O21 | 121.3° | 120.0° |
| C14 | O20 | HO20 | 109.5° | 113.9° |
| C16 | C15 | O21 | 116.7° | 120.0° |
| C15 | C16 | C17 | 117.7° | 120.3° |
| C15 | C16 | H16 | 121.1° | 119.8° |
| C15 | O21 | HO21 | 109.5° | 114.0° |
| C16 | C17 | C18 | 121.6° | 120.4° |
| C16 | C17 | N19 | 123.2° | 119.8° |
| C17 | C16 | H16 | 121.1° | 119.9° |
| C18 | C17 | N19 | 115.2° | 119.8° |
| C17 | C18 | H18 | 120.0° | 120.1° |
| C17 | N19 | O23 | 121.6° | 120.0° |
| C17 | N19 | O24 | 114.9° | 120.0° |
| O23 | N19 | O24 | 123.5° | 120.0° |
| H3 | C3 | H3A | 108.3° | 110.7° |
| H10 | C10 | H10A | 110.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | O7 | 128.3° | 118.7° |
| C2 | C1 | C5 | H1 | 118.1° | 118.7° |
| C2 | C1 | O7 | H1 | 117.6° | 122.6° |
| C1 | C2 | C3 | O8 | 114.8° | 118.2° |
| C1 | C2 | C3 | H2 | 124.5° | 118.2° |
| C1 | C2 | O8 | H2 | 125.5° | 123.6° |
| C1 | C2 | C3 | O4 | 33.6° | 37.0° |
| C2 | C1 | C5 | O4 | 34.3° | 2.0° |
| C2 | C1 | C5 | C6 | 156.1° | 121.5° |
| C1 | C2 | C3 | H3 | 86.4° | 155.5° |
| C1 | C2 | C3 | H3A | 153.6° | 81.5° |
| C2 | C1 | C5 | H5 | 86.0° | 117.4° |
| C2 | C1 | O7 | HO7 | 180.0° | 61.5° |
| C1 | C2 | O8 | HO8 | 180.0° | 179.9° |
| C5 | C1 | O7 | H1 | 126.7° | 122.6° |
| C5 | C1 | C2 | C3 | 40.5° | 20.9° |
| C5 | C1 | C2 | O8 | 74.8° | 139.1° |
| C1 | C5 | O4 | C3 | 14.1° | 26.5° |
| C1 | C5 | O4 | C6 | 119.2° | 119.5° |
| C1 | C5 | O4 | H5 | 122.9° | 119.5° |
| C1 | C5 | C6 | H5 | 122.9° | 121.1° |
| C1 | C5 | C6 | C9 | 97.6° | 124.9° |
| C5 | C1 | C2 | H2 | 164.6° | 97.3° |
| C1 | C5 | C6 | H6 | 82.4° | 55.0° |
| C5 | C1 | O7 | HO7 | 64.3° | 176.3° |
| O7 | C1 | C2 | C3 | 160.2° | 97.8° |
| O7 | C1 | C2 | O8 | 45.0° | 20.4° |
| O7 | C1 | C5 | O4 | 162.6° | 120.7° |
| O7 | C1 | C5 | C6 | 75.7° | 119.9° |
| O7 | C1 | C2 | H2 | 75.7° | 144.0° |
| O7 | C1 | C5 | H5 | 42.2° | 1.3° |
| C3 | C2 | O8 | H2 | 125.2° | 123.7° |
| C2 | C3 | O4 | H3 | 120.0° | 118.5° |
| C2 | C3 | O4 | H3A | 120.0° | 118.5° |
| C2 | C3 | O4 | C5 | 12.6° | 40.0° |
| C3 | C2 | C1 | H1 | 86.4° | 139.6° |
| C2 | C3 | H3 | H3A | 121.3° | 123.0° |
| C3 | C2 | O8 | HO8 | 70.7° | 67.3° |
| O8 | C2 | C3 | O4 | 81.2° | 155.2° |
| O8 | C2 | C1 | H1 | 158.3° | 102.2° |
| O8 | C2 | C3 | H3 | 158.8° | 86.3° |
| O8 | C2 | C3 | H3A | 38.8° | 36.7° |
| C3 | O4 | C5 | C6 | 133.3° | 146.0° |
| O4 | C3 | C2 | H2 | 158.1° | 81.2° |
| O4 | C3 | H3 | H3A | 121.3° | 122.9° |
| C3 | O4 | C5 | H5 | 108.7° | 93.0° |
| O4 | C5 | C6 | H5 | 120.5° | 121.0° |
| O4 | C5 | C6 | C9 | 19.0° | 7.1° |
| O4 | C5 | C1 | H1 | 83.7° | 116.7° |
| C5 | O4 | C3 | H3 | 107.4° | 158.5° |
| C5 | O4 | C3 | H3A | 132.6° | 78.5° |
| O4 | C5 | C6 | H6 | 160.9° | 172.9° |
| C5 | C6 | C9 | H6 | 180.0° | 179.9° |
| C5 | C6 | C9 | C10 | 179.6° | 180.0° |
| C6 | C5 | C1 | H1 | 38.0° | 2.8° |
| C5 | C6 | C9 | H9 | 0.4° | 0.1° |
| C6 | C9 | C10 | H9 | 180.0° | 180.0° |
| C6 | C9 | C10 | N11 | 146.3° | 125.1° |
| C9 | C6 | C5 | H5 | 139.5° | 113.9° |
| C6 | C9 | C10 | H10 | 93.7° | 115.0° |
| C6 | C9 | C10 | H10A | 26.3° | 5.1° |
| C9 | C10 | N11 | H10 | 120.0° | 119.9° |
| C9 | C10 | N11 | H10A | 120.0° | 120.0° |
| C9 | C10 | N11 | C12 | 95.3° | 180.0° |
| C10 | C9 | C6 | H6 | 0.4° | 0.0° |
| C9 | C10 | H10 | H10A | 118.5° | 120.0° |
| C9 | C10 | N11 | HN11 | 84.7° | 0.1° |
| C10 | N11 | C12 | HN11 | 180.0° | 179.9° |
| C10 | N11 | C12 | C13 | 176.4° | 180.0° |
| C10 | N11 | C12 | O22 | 5.4° | 0.0° |
| N11 | C10 | C9 | H9 | 33.7° | 55.0° |
| N11 | C10 | H10 | H10A | 118.5° | 120.0° |
| N11 | C12 | C13 | O22 | 178.2° | 180.0° |
| N11 | C12 | C13 | C14 | 12.1° | 180.0° |
| N11 | C12 | C13 | C18 | 166.8° | 0.3° |
| C12 | N11 | C10 | H10 | 24.7° | 60.1° |
| C12 | N11 | C10 | H10A | 144.7° | 60.0° |
| C12 | C13 | C14 | C18 | 178.8° | 179.7° |
| C12 | C13 | C14 | C15 | 178.9° | 180.0° |
| C12 | C13 | C14 | O20 | 2.1° | 0.0° |
| C12 | C13 | C18 | C17 | 179.7° | 179.7° |
| C13 | C12 | N11 | HN11 | 3.6° | 0.1° |
| C12 | C13 | C18 | H18 | 0.3° | 0.0° |
| O22 | C12 | C13 | C14 | 169.7° | 0.0° |
| O22 | C12 | C13 | C18 | 11.5° | 179.7° |
| O22 | C12 | N11 | HN11 | 174.6° | 180.0° |
| C13 | C14 | C15 | O20 | 179.1° | 179.9° |
| C13 | C14 | C15 | C16 | 1.6° | 0.0° |
| C13 | C14 | C15 | O21 | 179.2° | 180.0° |
| C14 | C13 | C18 | C17 | 1.5° | 0.6° |
| C14 | C13 | C18 | H18 | 178.5° | 179.7° |
| C13 | C14 | O20 | HO20 | 180.0° | 90.0° |
| C18 | C13 | C14 | C15 | 0.0° | 0.3° |
| C18 | C13 | C14 | O20 | 179.1° | 179.8° |
| C13 | C18 | C17 | C16 | 1.3° | 0.6° |
| C13 | C18 | C17 | H18 | 180.0° | 179.7° |
| C13 | C18 | C17 | N19 | 179.7° | 179.7° |
| C14 | C15 | C16 | O21 | 177.7° | 179.9° |
| C14 | C15 | C16 | C17 | 1.8° | 0.0° |
| C14 | C15 | C16 | H16 | 178.2° | 180.0° |
| C15 | C14 | O20 | HO20 | 1.0° | 90.1° |
| C14 | C15 | O21 | HO21 | 180.0° | 90.0° |
| O20 | C14 | C15 | C16 | 177.5° | 180.0° |
| O20 | C14 | C15 | O21 | 0.1° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.3° |
| C15 | C16 | C17 | N19 | 178.7° | 180.0° |
| C16 | C15 | O21 | HO21 | 2.3° | 90.0° |
| O21 | C15 | C16 | C17 | 179.4° | 180.0° |
| O21 | C15 | C16 | H16 | 0.6° | 0.0° |
| C16 | C17 | C18 | N19 | 179.0° | 179.7° |
| C16 | C17 | N19 | O23 | 10.9° | 0.0° |
| C16 | C17 | N19 | O24 | 169.4° | 180.0° |
| C16 | C17 | C18 | H18 | 178.6° | 179.7° |
| C18 | C17 | N19 | O23 | 170.1° | 179.7° |
| C18 | C17 | N19 | O24 | 9.5° | 0.3° |
| C18 | C17 | C16 | H16 | 179.7° | 179.7° |
| C17 | N19 | O23 | O24 | 179.6° | 180.0° |
| N19 | C17 | C16 | H16 | 1.4° | 0.0° |
| N19 | C17 | C18 | H18 | 0.3° | 0.0° |
| H1 | C1 | C2 | H2 | 37.7° | 21.4° |
| H1 | C1 | C5 | H5 | 155.9° | 123.9° |
| H1 | C1 | O7 | HO7 | 62.4° | 61.1° |
| H2 | C2 | C3 | H3 | 38.1° | 37.3° |
| H2 | C2 | C3 | H3A | 81.9° | 160.4° |
| H2 | C2 | O8 | HO8 | 54.5° | 56.3° |
| H5 | C5 | C6 | H6 | 40.5° | 66.1° |
| H6 | C6 | C9 | H9 | 179.6° | 180.0° |
| H9 | C9 | C10 | H10 | 86.3° | 65.0° |
| H9 | C9 | C10 | H10A | 153.7° | 174.9° |
| H10 | C10 | N11 | HN11 | 155.3° | 120.0° |
| H10A | C10 | N11 | HN11 | 35.3° | 119.9° |
