ZWO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | doub | 1.37Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.37Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | N2 | sing | 1.43Å | 1.41Å | |
| C12 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.37Å | 1.40Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.44Å | Aromatic |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| C7 | N1 | doub | 1.35Å | 1.31Å | |
| C11 | C10 | doub | 1.37Å | 1.38Å | Aromatic |
| N2 | RU2 | sing | 1.60Å | 2.04Å | |
| C8 | N1 | sing | 1.43Å | 1.46Å | |
| C8 | C9 | doub | 1.39Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | RU1 | sing | 1.74Å | 2.05Å | |
| O6 | RU2 | sing | 2.01Å | 2.04Å | |
| O6 | C5 | sing | 1.28Å | 1.28Å | |
| RU2 | O2 | sing | 2.01Å | 2.03Å | |
| RU2 | RU1 | sing | 2.28Å | 2.26Å | |
| RU2 | O4 | sing | 2.02Å | 2.06Å | |
| O7 | C5 | doub | 1.28Å | 1.25Å | |
| C5 | O5 | sing | 1.28Å | 1.32Å | |
| O2 | C1 | sing | 1.28Å | 1.27Å | |
| C1 | O8 | doub | 1.28Å | 1.45Å | |
| C1 | O1 | sing | 1.28Å | 1.31Å | |
| O5 | RU1 | sing | 2.08Å | 2.05Å | |
| RU1 | O1 | sing | 2.14Å | 2.04Å | |
| RU1 | O3 | sing | 2.10Å | 2.06Å | |
| O4 | C3 | sing | 1.28Å | 1.29Å | |
| O3 | C3 | sing | 1.28Å | 1.32Å | |
| C3 | O9 | doub | 1.28Å | 1.24Å | |
| C7 | H1 | sing | 0.94Å | 1.08Å | |
| C20 | H3 | sing | 0.94Å | 1.08Å | |
| C9 | H4 | sing | 0.94Å | 1.08Å | |
| C10 | H5 | sing | 0.94Å | 1.08Å | |
| C13 | H6 | sing | 0.94Å | 1.08Å | |
| C16 | H7 | sing | 0.94Å | 1.08Å | |
| C17 | H8 | sing | 0.94Å | 1.08Å | |
| C11 | H9 | sing | 0.94Å | 1.08Å | |
| C12 | H10 | sing | 0.94Å | 1.08Å | |
| C18 | H11 | sing | 0.94Å | 1.08Å | |
| C19 | H12 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 118.4° | 119.5° |
| C18 | C19 | C20 | 119.7° | 120.5° |
| C19 | C18 | H11 | 120.8° | 120.2° |
| C18 | C19 | H12 | 120.2° | 119.9° |
| C18 | C17 | C16 | 122.5° | 120.6° |
| C18 | C17 | H8 | 118.7° | 119.8° |
| C17 | C18 | H11 | 120.8° | 120.3° |
| C19 | C20 | C15 | 121.5° | 120.7° |
| C19 | C20 | H3 | 119.2° | 119.3° |
| C20 | C19 | H12 | 120.1° | 119.6° |
| C17 | C16 | C15 | 120.3° | 120.8° |
| C17 | C16 | H7 | 119.8° | 119.4° |
| C16 | C17 | H8 | 118.7° | 119.6° |
| C20 | C15 | C16 | 117.4° | 117.9° |
| C20 | C15 | N2 | 121.3° | 124.1° |
| C15 | C20 | H3 | 119.2° | 119.9° |
| C16 | C15 | N2 | 121.2° | 118.0° |
| C15 | C16 | H7 | 119.8° | 119.8° |
| C15 | N2 | C7 | 114.9° | 129.5° |
| C15 | N2 | RU2 | 124.3° | 113.2° |
| C13 | C12 | C11 | 119.4° | 120.5° |
| C12 | C13 | C8 | 120.6° | 120.7° |
| C12 | C13 | H6 | 119.7° | 119.4° |
| C13 | C12 | H10 | 120.3° | 119.6° |
| C12 | C11 | C10 | 120.0° | 119.6° |
| C12 | C11 | H9 | 120.0° | 120.2° |
| C11 | C12 | H10 | 120.3° | 119.9° |
| C13 | C8 | N1 | 122.2° | 124.4° |
| C13 | C8 | C9 | 117.9° | 118.0° |
| C8 | C13 | H6 | 119.7° | 119.9° |
| N2 | C7 | N1 | 119.5° | 122.6° |
| C7 | N2 | RU2 | 120.7° | 117.2° |
| N2 | C7 | H1 | 120.2° | 118.7° |
| C7 | N1 | C8 | 115.4° | 130.0° |
| C7 | N1 | RU1 | 118.8° | 116.1° |
| N1 | C7 | H1 | 120.2° | 118.7° |
| C11 | C10 | C9 | 120.0° | 120.6° |
| C11 | C10 | H5 | 120.0° | 119.9° |
| C10 | C11 | H9 | 120.0° | 120.2° |
| N2 | RU2 | O6 | 90.9° | 89.7° |
| N2 | RU2 | O2 | 92.4° | 88.3° |
| N2 | RU2 | RU1 | 89.4° | 94.4° |
| N2 | RU2 | O4 | 179.1° | 176.7° |
| N1 | C8 | C9 | 119.9° | 117.5° |
| C8 | N1 | RU1 | 124.6° | 113.0° |
| C8 | C9 | C10 | 122.1° | 120.7° |
| C8 | C9 | H4 | 119.0° | 119.8° |
| C10 | C9 | H4 | 119.0° | 119.6° |
| C9 | C10 | H5 | 120.0° | 119.6° |
| N1 | RU1 | RU2 | 91.2° | 88.0° |
| N1 | RU1 | O5 | 92.9° | 89.3° |
| N1 | RU1 | O1 | 88.8° | 89.8° |
| N1 | RU1 | O3 | 174.9° | 176.7° |
| RU2 | O6 | C5 | 124.5° | 113.0° |
| O6 | RU2 | O2 | 176.6° | 177.9° |
| O6 | RU2 | RU1 | 88.6° | 90.1° |
| O6 | RU2 | O4 | 88.2° | 89.4° |
| O6 | C5 | O7 | 118.2° | 119.9° |
| O6 | C5 | O5 | 115.5° | 120.4° |
| O2 | RU2 | RU1 | 92.2° | 89.4° |
| O2 | RU2 | O4 | 88.5° | 92.6° |
| RU2 | O2 | C1 | 113.7° | 116.0° |
| RU1 | RU2 | O4 | 90.6° | 88.7° |
| RU2 | RU1 | O5 | 89.6° | 87.4° |
| RU2 | RU1 | O1 | 89.8° | 88.1° |
| RU2 | RU1 | O3 | 89.4° | 89.1° |
| RU2 | O4 | C3 | 118.7° | 120.0° |
| O7 | C5 | O5 | 126.3° | 119.8° |
| C5 | O5 | RU1 | 121.8° | 108.7° |
| O2 | C1 | O8 | 109.7° | 119.6° |
| O2 | C1 | O1 | 129.4° | 120.8° |
| O8 | C1 | O1 | 120.8° | 119.6° |
| C1 | O1 | RU1 | 114.8° | 113.8° |
| O5 | RU1 | O1 | 178.1° | 175.5° |
| O5 | RU1 | O3 | 92.1° | 88.8° |
| O1 | RU1 | O3 | 86.1° | 91.8° |
| RU1 | O3 | C3 | 118.7° | 113.9° |
| O4 | C3 | O3 | 120.8° | 121.1° |
| O4 | C3 | O9 | 119.0° | 119.5° |
| O3 | C3 | O9 | 120.2° | 119.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H11 | 180.0° | 180.0° |
| C18 | C19 | C20 | H12 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 1.3° | 0.1° |
| C18 | C19 | C20 | C15 | 0.4° | 0.6° |
| C18 | C19 | C20 | H3 | 179.5° | 179.7° |
| C19 | C18 | C17 | H8 | 178.7° | 179.9° |
| C17 | C18 | C19 | C20 | 2.6° | 0.2° |
| C18 | C17 | C16 | H8 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 2.3° | 0.5° |
| C18 | C17 | C16 | H7 | 177.7° | 180.0° |
| C17 | C18 | C19 | H12 | 177.4° | 179.9° |
| C19 | C20 | C15 | H3 | 180.0° | 179.1° |
| C19 | C20 | C15 | C16 | 3.0° | 1.0° |
| C19 | C20 | C15 | N2 | 178.0° | 179.7° |
| C20 | C19 | C18 | H11 | 177.4° | 179.9° |
| C17 | C16 | C15 | C20 | 4.3° | 0.9° |
| C17 | C16 | C15 | H7 | 180.0° | 179.5° |
| C17 | C16 | C15 | N2 | 179.3° | 179.7° |
| C16 | C17 | C18 | H11 | 178.7° | 179.9° |
| C20 | C15 | C16 | N2 | 175.0° | 178.8° |
| C20 | C15 | N2 | C7 | 60.3° | 5.9° |
| C20 | C15 | N2 | RU2 | 118.9° | 169.2° |
| C20 | C15 | C16 | H7 | 175.7° | 179.5° |
| C15 | C20 | C19 | H12 | 179.6° | 179.5° |
| C16 | C15 | N2 | C7 | 125.0° | 172.8° |
| C16 | C15 | N2 | RU2 | 55.9° | 12.2° |
| C16 | C15 | C20 | H3 | 177.0° | 179.9° |
| C15 | C16 | C17 | H8 | 177.7° | 179.7° |
| C15 | N2 | C7 | RU2 | 179.2° | 174.9° |
| C15 | N2 | C7 | N1 | 173.5° | 178.8° |
| C15 | N2 | RU2 | O6 | 93.5° | 81.0° |
| C15 | N2 | RU2 | O2 | 85.8° | 99.6° |
| C15 | N2 | RU2 | RU1 | 177.9° | 171.1° |
| C15 | N2 | RU2 | O4 | 93.3° | 6.5° |
| C15 | N2 | C7 | H1 | 6.5° | 1.7° |
| N2 | C15 | C20 | H3 | 2.0° | 1.3° |
| N2 | C15 | C16 | H7 | 0.7° | 0.8° |
| C13 | C12 | C11 | H10 | 180.0° | 180.0° |
| C12 | C13 | C8 | H6 | 180.0° | 179.5° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C8 | N1 | 179.3° | 179.8° |
| C12 | C13 | C8 | C9 | 1.4° | 0.5° |
| C13 | C12 | C11 | H9 | 179.9° | 180.0° |
| C11 | C12 | C13 | C8 | 0.2° | 0.3° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 2.0° | 0.0° |
| C12 | C11 | C10 | H5 | 178.0° | 180.0° |
| C11 | C12 | C13 | H6 | 179.8° | 179.9° |
| C13 | C8 | N1 | C7 | 48.9° | 3.5° |
| C13 | C8 | N1 | C9 | 179.3° | 179.4° |
| C13 | C8 | C9 | C10 | 3.3° | 0.4° |
| C13 | C8 | N1 | RU1 | 118.1° | 164.9° |
| C13 | C8 | C9 | H4 | 176.6° | 179.6° |
| C8 | C13 | C12 | H10 | 179.8° | 179.7° |
| N2 | C7 | N1 | H1 | 180.0° | 179.5° |
| N2 | C7 | N1 | C8 | 175.8° | 178.6° |
| N2 | C7 | N1 | RU1 | 8.0° | 13.3° |
| C7 | N2 | RU2 | O6 | 85.7° | 94.8° |
| C7 | N2 | RU2 | O2 | 95.1° | 84.6° |
| C7 | N2 | RU2 | RU1 | 2.9° | 4.6° |
| C7 | N2 | RU2 | O4 | 85.8° | 169.3° |
| N1 | C7 | N2 | RU2 | 7.3° | 3.9° |
| C7 | N1 | C8 | RU1 | 167.0° | 168.4° |
| C7 | N1 | C8 | C9 | 130.5° | 175.9° |
| C7 | N1 | RU1 | RU2 | 4.8° | 12.3° |
| C7 | N1 | RU1 | O5 | 84.9° | 75.1° |
| C7 | N1 | RU1 | O1 | 94.5° | 100.5° |
| C7 | N1 | RU1 | O3 | 101.1° | 18.3° |
| C11 | C10 | C9 | C8 | 3.7° | 0.1° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | H4 | 176.2° | 179.8° |
| C10 | C11 | C12 | H10 | 179.9° | 179.9° |
| N2 | RU2 | RU1 | N1 | 0.8° | 8.8° |
| N2 | RU2 | O6 | O2 | 167.3° | 17.4° |
| N2 | RU2 | O6 | RU1 | 89.3° | 94.4° |
| N2 | RU2 | O6 | O4 | 180.0° | 176.8° |
| N2 | RU2 | O6 | C5 | 91.6° | 106.5° |
| N2 | RU2 | O2 | RU1 | 89.5° | 94.5° |
| N2 | RU2 | O2 | O4 | 180.0° | 176.8° |
| N2 | RU2 | RU1 | O4 | 179.1° | 179.1° |
| N2 | RU2 | O2 | C1 | 86.7° | 124.1° |
| N2 | RU2 | RU1 | O5 | 92.2° | 80.6° |
| N2 | RU2 | RU1 | O1 | 89.6° | 98.7° |
| N2 | RU2 | RU1 | O3 | 175.7° | 169.5° |
| N2 | RU2 | O4 | C3 | 88.5° | 166.2° |
| RU2 | N2 | C7 | H1 | 172.7° | 176.7° |
| N1 | C8 | C9 | C10 | 177.3° | 179.8° |
| C8 | N1 | RU1 | RU2 | 171.4° | 177.6° |
| C8 | N1 | RU1 | O5 | 81.7° | 95.0° |
| C8 | N1 | RU1 | O1 | 98.9° | 89.4° |
| C8 | N1 | RU1 | O3 | 92.3° | 151.8° |
| C8 | N1 | C7 | H1 | 4.2° | 0.9° |
| N1 | C8 | C9 | H4 | 2.7° | 0.2° |
| N1 | C8 | C13 | H6 | 0.7° | 0.7° |
| C8 | C9 | C10 | H4 | 180.0° | 179.9° |
| C9 | C8 | N1 | RU1 | 62.5° | 15.8° |
| C8 | C9 | C10 | H5 | 176.3° | 179.9° |
| C9 | C8 | C13 | H6 | 178.6° | 180.0° |
| C9 | C10 | C11 | H9 | 178.0° | 179.9° |
| N1 | RU1 | RU2 | O6 | 91.7° | 98.6° |
| N1 | RU1 | RU2 | O2 | 91.6° | 79.4° |
| N1 | RU1 | RU2 | O5 | 92.9° | 89.4° |
| N1 | RU1 | RU2 | O1 | 88.8° | 89.9° |
| N1 | RU1 | RU2 | O3 | 175.0° | 178.3° |
| N1 | RU1 | RU2 | O4 | 179.8° | 172.0° |
| N1 | RU1 | O5 | C5 | 90.2° | 120.1° |
| N1 | RU1 | O1 | C1 | 94.6° | 92.7° |
| N1 | RU1 | O5 | O1 | 161.4° | 79.0° |
| N1 | RU1 | O5 | O3 | 179.5° | 177.2° |
| N1 | RU1 | O1 | O3 | 179.4° | 177.1° |
| N1 | RU1 | O3 | C3 | 108.9° | 54.4° |
| RU1 | N1 | C7 | H1 | 172.0° | 167.2° |
| O6 | RU2 | O2 | RU1 | 103.3° | 77.0° |
| O6 | RU2 | O2 | O4 | 12.7° | 165.7° |
| O6 | RU2 | RU1 | O4 | 88.1° | 89.4° |
| RU2 | O6 | C5 | O7 | 175.4° | 134.9° |
| RU2 | O6 | C5 | O5 | 2.0° | 45.1° |
| O6 | RU2 | O2 | C1 | 106.0° | 106.6° |
| O6 | RU2 | RU1 | O5 | 1.2° | 9.1° |
| O6 | RU2 | RU1 | O1 | 179.5° | 171.6° |
| O6 | RU2 | RU1 | O3 | 93.4° | 79.7° |
| O6 | RU2 | O4 | C3 | 88.3° | 91.7° |
| C5 | O6 | RU2 | O2 | 101.1° | 89.1° |
| C5 | O6 | RU2 | RU1 | 2.2° | 12.1° |
| C5 | O6 | RU2 | O4 | 88.4° | 76.7° |
| O6 | C5 | O7 | O5 | 177.0° | 180.0° |
| O6 | C5 | O5 | RU1 | 0.4° | 54.1° |
| O2 | RU2 | RU1 | O4 | 88.5° | 92.6° |
| RU2 | O2 | C1 | O8 | 175.8° | 137.3° |
| RU2 | O2 | C1 | O1 | 0.7° | 42.6° |
| O2 | RU2 | RU1 | O5 | 175.4° | 168.8° |
| O2 | RU2 | RU1 | O1 | 2.8° | 10.5° |
| O2 | RU2 | RU1 | O3 | 83.3° | 102.3° |
| O2 | RU2 | O4 | C3 | 92.4° | 87.8° |
| RU2 | RU1 | O5 | C5 | 0.9° | 32.0° |
| RU1 | RU2 | O2 | C1 | 2.8° | 29.6° |
| RU2 | RU1 | O1 | C1 | 3.4° | 4.6° |
| RU2 | RU1 | O5 | O1 | 70.3° | 9.0° |
| RU2 | RU1 | O5 | O3 | 89.4° | 89.1° |
| RU2 | RU1 | O1 | O3 | 89.4° | 89.0° |
| RU1 | RU2 | O4 | C3 | 0.3° | 1.5° |
| RU2 | RU1 | O3 | C3 | 12.5° | 23.8° |
| O4 | RU2 | O2 | C1 | 93.3° | 59.1° |
| O4 | RU2 | RU1 | O5 | 86.9° | 98.5° |
| O4 | RU2 | RU1 | O1 | 91.3° | 82.2° |
| O4 | RU2 | RU1 | O3 | 5.2° | 9.7° |
| RU2 | O4 | C3 | O3 | 10.0° | 21.9° |
| RU2 | O4 | C3 | O9 | 170.2° | 158.2° |
| O7 | C5 | O5 | RU1 | 176.7° | 125.9° |
| C5 | O5 | RU1 | O1 | 71.2° | 41.0° |
| C5 | O5 | RU1 | O3 | 90.3° | 57.1° |
| O2 | C1 | O8 | O1 | 176.9° | 179.9° |
| O2 | C1 | O1 | RU1 | 2.3° | 29.5° |
| O8 | C1 | O1 | RU1 | 178.5° | 150.4° |
| C1 | O1 | RU1 | O5 | 66.9° | 13.7° |
| C1 | O1 | RU1 | O3 | 86.0° | 84.4° |
| O5 | RU1 | O1 | O3 | 19.2° | 98.1° |
| O5 | RU1 | O3 | C3 | 77.1° | 111.2° |
| O1 | RU1 | O3 | C3 | 102.3° | 64.3° |
| RU1 | O3 | C3 | O4 | 16.0° | 31.8° |
| RU1 | O3 | C3 | O9 | 164.2° | 148.3° |
| O4 | C3 | O3 | O9 | 179.8° | 179.9° |
| H3 | C20 | C19 | H12 | 0.4° | 0.4° |
| H4 | C9 | C10 | H5 | 3.7° | 0.2° |
| H5 | C10 | C11 | H9 | 2.0° | 0.1° |
| H6 | C13 | C12 | H10 | 0.2° | 0.2° |
| H7 | C16 | C17 | H8 | 2.2° | 0.2° |
| H8 | C17 | C18 | H11 | 1.3° | 0.1° |
| H9 | C11 | C12 | H10 | 0.1° | 0.0° |
| H11 | C18 | C19 | H12 | 2.6° | 0.0° |
