ZWH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | doub | 1.35Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.37Å | 1.37Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | N2 | sing | 1.43Å | 1.43Å | |
| N2 | C1 | sing | 1.34Å | 1.34Å | |
| N2 | RU2 | sing | 2.01Å | 2.01Å | |
| C1 | N1 | sing | 1.32Å | 1.32Å | |
| RU2 | O31 | sing | 2.13Å | 2.13Å | |
| RU2 | O2 | sing | 2.04Å | 2.04Å | |
| RU2 | O3 | sing | 1.79Å | 1.79Å | |
| RU2 | RU1 | sing | 2.27Å | 2.27Å | |
| O31 | C42 | sing | 1.24Å | 1.24Å | |
| O2 | C14 | sing | 1.27Å | 1.27Å | |
| O3 | C41 | sing | 1.26Å | 1.26Å | |
| C15 | C14 | sing | 1.48Å | 1.48Å | |
| C42 | C32 | sing | 1.52Å | 1.52Å | |
| C42 | O41 | sing | 1.25Å | 1.25Å | |
| O12 | C17 | doub | 1.25Å | 1.25Å | |
| C14 | O1 | sing | 1.26Å | 1.26Å | |
| N1 | C2 | sing | 1.44Å | 1.44Å | |
| N1 | RU1 | sing | 2.03Å | 2.03Å | |
| C32 | C22 | sing | 1.51Å | 1.51Å | |
| O41 | RU1 | sing | 1.58Å | 1.58Å | |
| C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| RU1 | O1 | sing | 2.04Å | 2.04Å | |
| RU1 | O4 | sing | 2.19Å | 2.19Å | |
| C41 | C31 | sing | 1.52Å | 1.52Å | |
| C41 | O4 | sing | 1.25Å | 1.25Å | |
| C17 | C22 | sing | 1.52Å | 1.52Å | |
| C17 | O22 | sing | 1.24Å | 1.24Å | |
| C6 | C5 | doub | 1.37Å | 1.37Å | Aromatic |
| C31 | C21 | sing | 1.52Å | 1.52Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| O11 | C16 | doub | 1.25Å | 1.25Å | |
| C21 | C16 | sing | 1.52Å | 1.52Å | |
| C16 | O21 | sing | 1.25Å | 1.25Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.10Å | 1.10Å | |
| C21 | H3 | sing | 1.10Å | 1.10Å | |
| O21 | H4 | sing | 0.95Å | 0.95Å | |
| C31 | H5 | sing | 1.10Å | 1.10Å | |
| C31 | H6 | sing | 1.10Å | 1.10Å | |
| C41 | H7 | sing | 1.10Å | 1.10Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.10Å | 1.10Å | |
| C22 | H10 | sing | 1.10Å | 1.10Å | |
| O22 | H11 | sing | 0.95Å | 0.95Å | |
| C32 | H12 | sing | 1.10Å | 1.10Å | |
| C32 | H13 | sing | 1.10Å | 1.10Å | |
| C42 | H14 | sing | 1.10Å | 1.10Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.10Å | 1.10Å | |
| C15 | H17 | sing | 1.10Å | 1.10Å | |
| C15 | H18 | sing | 1.10Å | 1.10Å | |
| C15 | H19 | sing | 1.10Å | 1.10Å | |
| C3 | H20 | sing | 1.08Å | 1.08Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| C7 | H22 | sing | 1.08Å | 1.08Å | |
| C1 | H23 | sing | 1.10Å | 1.10Å | |
| C1 | H24 | sing | 1.10Å | 1.10Å | |
| C6 | H25 | sing | 1.08Å | 1.08Å | |
| C5 | H26 | sing | 1.08Å | 1.08Å | |
| C10 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 120.8° | 120.8° |
| C11 | C10 | C9 | 120.3° | 120.3° |
| C10 | C11 | H1 | 119.6° | 119.6° |
| C11 | C10 | H27 | 119.9° | 119.8° |
| C11 | C12 | C13 | 119.5° | 119.5° |
| C12 | C11 | H1 | 119.6° | 119.6° |
| C11 | C12 | H8 | 120.2° | 120.2° |
| C10 | C9 | C8 | 120.1° | 120.1° |
| C9 | C10 | H27 | 119.8° | 119.9° |
| C10 | C9 | H28 | 119.9° | 119.9° |
| C12 | C13 | C8 | 121.3° | 121.3° |
| C13 | C12 | H8 | 120.3° | 120.3° |
| C12 | C13 | H15 | 119.3° | 119.3° |
| C9 | C8 | C13 | 117.9° | 117.9° |
| C9 | C8 | N2 | 120.0° | 120.0° |
| C8 | C9 | H28 | 119.9° | 119.9° |
| C13 | C8 | N2 | 122.1° | 122.1° |
| C8 | C13 | H15 | 119.3° | 119.3° |
| C8 | N2 | C1 | 115.5° | 115.5° |
| C8 | N2 | RU2 | 123.4° | 123.4° |
| C1 | N2 | RU2 | 121.0° | 121.0° |
| N2 | C1 | N1 | 122.8° | 122.8° |
| N2 | C1 | H23 | 106.0° | 106.0° |
| N2 | C1 | H24 | 106.0° | 106.1° |
| N2 | RU2 | O31 | 94.9° | 94.9° |
| N2 | RU2 | O2 | 88.6° | 88.6° |
| N2 | RU2 | O3 | 177.4° | 177.4° |
| N2 | RU2 | RU1 | 87.7° | 87.7° |
| C1 | N1 | C2 | 121.9° | 121.9° |
| C1 | N1 | RU1 | 114.6° | 114.6° |
| N1 | C1 | H23 | 106.1° | 106.1° |
| N1 | C1 | H24 | 106.1° | 106.0° |
| O31 | RU2 | O2 | 174.9° | 174.9° |
| O31 | RU2 | O3 | 82.6° | 82.6° |
| O31 | RU2 | RU1 | 89.3° | 89.3° |
| RU2 | O31 | C42 | 103.8° | 103.8° |
| O2 | RU2 | O3 | 94.0° | 94.0° |
| O2 | RU2 | RU1 | 87.1° | 87.1° |
| RU2 | O2 | C14 | 119.1° | 119.1° |
| O3 | RU2 | RU1 | 93.0° | 93.0° |
| RU2 | O3 | C41 | 125.3° | 125.3° |
| RU2 | RU1 | N1 | 93.9° | 93.9° |
| RU2 | RU1 | O41 | 85.4° | 85.4° |
| RU2 | RU1 | O1 | 91.2° | 91.2° |
| RU2 | RU1 | O4 | 85.1° | 85.1° |
| O31 | C42 | C32 | 118.0° | 118.0° |
| O31 | C42 | O41 | 123.6° | 123.6° |
| O31 | C42 | H14 | 90.1° | 90.1° |
| O2 | C14 | C15 | 120.6° | 120.6° |
| O2 | C14 | O1 | 122.0° | 122.0° |
| O2 | C14 | H16 | 90.4° | 90.4° |
| O3 | C41 | C31 | 119.0° | 119.0° |
| O3 | C41 | O4 | 123.5° | 123.5° |
| O3 | C41 | H7 | 90.2° | 90.2° |
| C15 | C14 | O1 | 117.4° | 117.4° |
| C15 | C14 | H16 | 90.4° | 90.4° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| C14 | C15 | H18 | 109.5° | 109.5° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C32 | C42 | O41 | 118.4° | 118.4° |
| C42 | C32 | C22 | 114.2° | 114.2° |
| C42 | C32 | H12 | 108.3° | 108.3° |
| C42 | C32 | H13 | 108.3° | 108.3° |
| C32 | C42 | H14 | 90.1° | 90.1° |
| C42 | O41 | RU1 | 137.0° | 137.0° |
| O41 | C42 | H14 | 90.1° | 90.1° |
| O12 | C17 | C22 | 118.3° | 118.3° |
| O12 | C17 | O22 | 123.8° | 123.8° |
| C14 | O1 | RU1 | 114.9° | 114.9° |
| O1 | C14 | H16 | 90.5° | 90.5° |
| C2 | N1 | RU1 | 122.6° | 122.6° |
| N1 | C2 | C7 | 121.5° | 121.5° |
| N1 | C2 | C3 | 122.0° | 122.0° |
| N1 | RU1 | O41 | 88.0° | 88.0° |
| N1 | RU1 | O1 | 93.5° | 93.5° |
| N1 | RU1 | O4 | 176.8° | 176.8° |
| C32 | C22 | C17 | 114.2° | 114.2° |
| C32 | C22 | H9 | 108.3° | 108.3° |
| C32 | C22 | H10 | 108.3° | 108.3° |
| C22 | C32 | H12 | 108.3° | 108.3° |
| C22 | C32 | H13 | 108.3° | 108.3° |
| O41 | RU1 | O1 | 176.4° | 176.4° |
| O41 | RU1 | O4 | 88.8° | 88.8° |
| C2 | C7 | C6 | 121.4° | 121.4° |
| C7 | C2 | C3 | 116.4° | 116.4° |
| C2 | C7 | H22 | 119.3° | 119.3° |
| C7 | C6 | C5 | 120.3° | 120.3° |
| C6 | C7 | H22 | 119.3° | 119.3° |
| C7 | C6 | H25 | 119.8° | 119.9° |
| C2 | C3 | C4 | 123.5° | 123.5° |
| C2 | C3 | H20 | 118.3° | 118.3° |
| O1 | RU1 | O4 | 89.6° | 89.6° |
| RU1 | O4 | C41 | 113.0° | 113.0° |
| C31 | C41 | O4 | 117.5° | 117.5° |
| C41 | C31 | C21 | 114.5° | 114.5° |
| C41 | C31 | H5 | 108.2° | 108.2° |
| C41 | C31 | H6 | 108.2° | 108.2° |
| C31 | C41 | H7 | 90.1° | 90.2° |
| O4 | C41 | H7 | 90.2° | 90.2° |
| C22 | C17 | O22 | 117.9° | 117.9° |
| C17 | C22 | H9 | 108.3° | 108.3° |
| C17 | C22 | H10 | 108.3° | 108.3° |
| C17 | O22 | H11 | 109.5° | 109.5° |
| C6 | C5 | C4 | 121.4° | 121.4° |
| C5 | C6 | H25 | 119.9° | 119.8° |
| C6 | C5 | H26 | 119.3° | 119.3° |
| C31 | C21 | C16 | 114.3° | 114.3° |
| C31 | C21 | H2 | 108.2° | 108.2° |
| C31 | C21 | H3 | 108.2° | 108.2° |
| C21 | C31 | H5 | 108.2° | 108.2° |
| C21 | C31 | H6 | 108.2° | 108.2° |
| C3 | C4 | C5 | 116.9° | 116.9° |
| C4 | C3 | H20 | 118.2° | 118.2° |
| C3 | C4 | H21 | 121.5° | 121.5° |
| C5 | C4 | H21 | 121.5° | 121.5° |
| C4 | C5 | H26 | 119.3° | 119.3° |
| O11 | C16 | C21 | 117.9° | 117.9° |
| O11 | C16 | O21 | 123.4° | 123.4° |
| C21 | C16 | O21 | 118.7° | 118.7° |
| C16 | C21 | H2 | 108.3° | 108.3° |
| C16 | C21 | H3 | 108.3° | 108.3° |
| C16 | O21 | H4 | 109.5° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H5 | C31 | H6 | 109.4° | 109.4° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H12 | C32 | H13 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.4° | 109.4° |
| H17 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.4° | 109.4° |
| H23 | C1 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H1 | 180.0° | 180.0° |
| C11 | C10 | C9 | H27 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.3° |
| C11 | C10 | C9 | C8 | 1.1° | 1.1° |
| C10 | C11 | C12 | H8 | 179.7° | 179.6° |
| C11 | C10 | C9 | H28 | 178.9° | 178.9° |
| C12 | C11 | C10 | C9 | 1.0° | 1.0° |
| C11 | C12 | C13 | H8 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 0.3° | 0.3° |
| C11 | C12 | C13 | H15 | 179.7° | 179.7° |
| C12 | C11 | C10 | H27 | 179.0° | 178.9° |
| C10 | C9 | C8 | H28 | 180.0° | 180.0° |
| C10 | C9 | C8 | C13 | 0.5° | 0.5° |
| C10 | C9 | C8 | N2 | 180.0° | 180.0° |
| C9 | C10 | C11 | H1 | 179.0° | 179.0° |
| C12 | C13 | C8 | C9 | 0.2° | 0.2° |
| C12 | C13 | C8 | H15 | 180.0° | 180.0° |
| C12 | C13 | C8 | N2 | 179.3° | 179.3° |
| C13 | C12 | C11 | H1 | 179.6° | 179.6° |
| C9 | C8 | C13 | N2 | 179.5° | 179.5° |
| C9 | C8 | N2 | C1 | 123.3° | 123.3° |
| C9 | C8 | N2 | RU2 | 59.5° | 59.5° |
| C9 | C8 | C13 | H15 | 179.8° | 179.8° |
| C8 | C9 | C10 | H27 | 178.9° | 178.9° |
| C13 | C8 | N2 | C1 | 56.2° | 56.2° |
| C13 | C8 | N2 | RU2 | 121.1° | 121.1° |
| C8 | C13 | C12 | H8 | 179.7° | 179.8° |
| C13 | C8 | C9 | H28 | 179.5° | 179.5° |
| C8 | N2 | C1 | RU2 | 177.3° | 177.3° |
| C8 | N2 | C1 | N1 | 178.9° | 178.9° |
| C8 | N2 | RU2 | O31 | 94.5° | 94.5° |
| C8 | N2 | RU2 | O2 | 89.2° | 89.2° |
| C8 | N2 | RU2 | O3 | 78.4° | 78.4° |
| C8 | N2 | RU2 | RU1 | 176.3° | 176.3° |
| N2 | C8 | C13 | H15 | 0.7° | 0.7° |
| C8 | N2 | C1 | H23 | 57.1° | 57.1° |
| C8 | N2 | C1 | H24 | 59.3° | 59.3° |
| N2 | C8 | C9 | H28 | 0.0° | 0.0° |
| N2 | C1 | N1 | H23 | 121.8° | 121.8° |
| N2 | C1 | N1 | H24 | 121.8° | 121.8° |
| C1 | N2 | RU2 | O31 | 88.4° | 88.4° |
| C1 | N2 | RU2 | O2 | 87.9° | 87.9° |
| C1 | N2 | RU2 | O3 | 104.5° | 104.5° |
| C1 | N2 | RU2 | RU1 | 0.8° | 0.8° |
| N2 | C1 | N1 | C2 | 172.8° | 172.8° |
| N2 | C1 | N1 | RU1 | 3.4° | 3.4° |
| N2 | C1 | H23 | H24 | 114.0° | 114.0° |
| RU2 | N2 | C1 | N1 | 1.6° | 1.6° |
| N2 | RU2 | O31 | O2 | 132.9° | 132.9° |
| N2 | RU2 | O31 | O3 | 179.3° | 179.3° |
| N2 | RU2 | O31 | RU1 | 87.6° | 87.6° |
| N2 | RU2 | O2 | O3 | 179.4° | 179.4° |
| N2 | RU2 | O2 | RU1 | 87.7° | 87.7° |
| N2 | RU2 | O3 | RU1 | 105.1° | 105.1° |
| N2 | RU2 | O31 | C42 | 79.2° | 79.2° |
| N2 | RU2 | O2 | C14 | 78.3° | 78.3° |
| N2 | RU2 | O3 | C41 | 108.1° | 108.1° |
| N2 | RU2 | RU1 | N1 | 1.8° | 1.8° |
| N2 | RU2 | RU1 | O41 | 89.5° | 89.5° |
| N2 | RU2 | RU1 | O1 | 91.8° | 91.8° |
| N2 | RU2 | RU1 | O4 | 178.7° | 178.7° |
| RU2 | N2 | C1 | H23 | 120.2° | 120.2° |
| RU2 | N2 | C1 | H24 | 123.4° | 123.4° |
| C1 | N1 | RU1 | RU2 | 3.2° | 3.2° |
| C1 | N1 | C2 | RU1 | 168.5° | 168.5° |
| C1 | N1 | RU1 | O41 | 88.4° | 88.4° |
| C1 | N1 | C2 | C7 | 60.1° | 60.1° |
| C1 | N1 | C2 | C3 | 124.0° | 124.0° |
| C1 | N1 | RU1 | O1 | 88.3° | 88.3° |
| C1 | N1 | RU1 | O4 | 74.9° | 74.9° |
| N1 | C1 | H23 | H24 | 114.0° | 114.0° |
| O31 | RU2 | O2 | O3 | 47.5° | 47.5° |
| O31 | RU2 | O2 | RU1 | 45.3° | 45.3° |
| O31 | RU2 | O3 | RU1 | 88.9° | 88.9° |
| O31 | RU2 | O2 | C14 | 54.8° | 54.8° |
| O31 | RU2 | O3 | C41 | 91.9° | 91.9° |
| RU2 | O31 | C42 | C32 | 171.5° | 171.5° |
| RU2 | O31 | C42 | O41 | 9.0° | 9.0° |
| O31 | RU2 | RU1 | N1 | 93.1° | 93.1° |
| O31 | RU2 | RU1 | O41 | 5.4° | 5.4° |
| O31 | RU2 | RU1 | O1 | 173.3° | 173.3° |
| O31 | RU2 | RU1 | O4 | 83.8° | 83.8° |
| RU2 | O31 | C42 | H14 | 81.2° | 81.2° |
| O2 | RU2 | O3 | RU1 | 87.3° | 87.3° |
| O2 | RU2 | O31 | C42 | 53.7° | 53.7° |
| O2 | RU2 | O3 | C41 | 84.4° | 84.4° |
| RU2 | O2 | C14 | C15 | 152.4° | 152.4° |
| RU2 | O2 | C14 | O1 | 26.1° | 26.1° |
| O2 | RU2 | RU1 | N1 | 90.5° | 90.5° |
| O2 | RU2 | RU1 | O41 | 178.2° | 178.2° |
| O2 | RU2 | RU1 | O1 | 3.1° | 3.1° |
| O2 | RU2 | RU1 | O4 | 92.6° | 92.6° |
| RU2 | O2 | C14 | H16 | 116.9° | 116.9° |
| O3 | RU2 | O31 | C42 | 101.5° | 101.5° |
| O3 | RU2 | O2 | C14 | 102.3° | 102.3° |
| O3 | RU2 | RU1 | N1 | 175.7° | 175.7° |
| O3 | RU2 | RU1 | O41 | 88.0° | 88.0° |
| O3 | RU2 | RU1 | O1 | 90.8° | 90.8° |
| O3 | RU2 | RU1 | O4 | 1.2° | 1.2° |
| RU2 | O3 | C41 | C31 | 175.8° | 175.8° |
| RU2 | O3 | C41 | O4 | 3.6° | 3.6° |
| RU2 | O3 | C41 | H7 | 94.0° | 93.9° |
| RU1 | RU2 | O31 | C42 | 8.4° | 8.4° |
| RU1 | RU2 | O2 | C14 | 9.4° | 9.4° |
| RU1 | RU2 | O3 | C41 | 2.9° | 2.9° |
| RU2 | RU1 | O41 | C42 | 3.5° | 3.5° |
| RU2 | RU1 | O1 | C14 | 16.4° | 16.4° |
| RU2 | RU1 | N1 | C2 | 172.5° | 172.5° |
| RU2 | RU1 | N1 | O41 | 85.2° | 85.2° |
| RU2 | RU1 | N1 | O1 | 91.5° | 91.5° |
| RU2 | RU1 | N1 | O4 | 71.7° | 71.7° |
| RU2 | RU1 | O41 | O1 | 20.1° | 20.1° |
| RU2 | RU1 | O41 | O4 | 85.2° | 85.2° |
| RU2 | RU1 | O1 | O4 | 85.1° | 85.1° |
| RU2 | RU1 | O4 | C41 | 0.1° | 0.1° |
| O31 | C42 | C32 | O41 | 179.5° | 179.5° |
| O31 | C42 | C32 | H14 | 90.2° | 90.2° |
| O31 | C42 | O41 | H14 | 90.3° | 90.3° |
| O31 | C42 | C32 | C22 | 176.5° | 176.5° |
| O31 | C42 | O41 | RU1 | 4.1° | 4.1° |
| O31 | C42 | C32 | H12 | 62.8° | 62.8° |
| O31 | C42 | C32 | H13 | 55.8° | 55.8° |
| O2 | C14 | C15 | O1 | 178.6° | 178.6° |
| O2 | C14 | C15 | H16 | 90.7° | 90.7° |
| O2 | C14 | O1 | H16 | 90.8° | 90.8° |
| O2 | C14 | O1 | RU1 | 28.7° | 28.7° |
| O2 | C14 | C15 | H17 | 180.0° | 180.0° |
| O2 | C14 | C15 | H18 | 60.0° | 60.0° |
| O2 | C14 | C15 | H19 | 60.0° | 60.0° |
| O3 | C41 | O4 | RU1 | 1.9° | 1.9° |
| O3 | C41 | C31 | O4 | 179.4° | 179.4° |
| O3 | C41 | C31 | H7 | 90.3° | 90.3° |
| O3 | C41 | O4 | H7 | 90.4° | 90.3° |
| O3 | C41 | C31 | C21 | 170.9° | 170.9° |
| O3 | C41 | C31 | H5 | 50.2° | 50.2° |
| O3 | C41 | C31 | H6 | 68.3° | 68.3° |
| C15 | C14 | O1 | H16 | 90.7° | 90.7° |
| C15 | C14 | O1 | RU1 | 149.9° | 149.9° |
| C14 | C15 | H17 | H18 | 120.0° | 120.0° |
| C14 | C15 | H17 | H19 | 120.0° | 120.0° |
| C14 | C15 | H18 | H19 | 120.0° | 120.0° |
| C32 | C42 | O41 | H14 | 90.2° | 90.2° |
| C42 | C32 | C22 | H12 | 120.7° | 120.7° |
| C42 | C32 | C22 | H13 | 120.7° | 120.7° |
| C32 | C42 | O41 | RU1 | 176.4° | 176.4° |
| C42 | C32 | C22 | C17 | 123.6° | 123.6° |
| C42 | C32 | C22 | H9 | 115.7° | 115.7° |
| C42 | C32 | C22 | H10 | 2.9° | 2.9° |
| C42 | C32 | H12 | H13 | 117.9° | 117.9° |
| C42 | O41 | RU1 | N1 | 97.6° | 97.6° |
| O41 | C42 | C32 | C22 | 3.1° | 3.1° |
| C42 | O41 | RU1 | O1 | 16.6° | 16.6° |
| C42 | O41 | RU1 | O4 | 81.6° | 81.6° |
| O41 | C42 | C32 | H12 | 117.6° | 117.6° |
| O41 | C42 | C32 | H13 | 123.7° | 123.7° |
| O12 | C17 | C22 | C32 | 37.1° | 37.1° |
| O12 | C17 | C22 | O22 | 180.0° | 180.0° |
| O12 | C17 | C22 | H9 | 157.8° | 157.8° |
| O12 | C17 | C22 | H10 | 83.6° | 83.6° |
| O12 | C17 | O22 | H11 | 0.0° | 0.0° |
| C14 | O1 | RU1 | N1 | 77.6° | 77.6° |
| C14 | O1 | RU1 | O41 | 36.4° | 36.4° |
| C14 | O1 | RU1 | O4 | 101.5° | 101.5° |
| O1 | C14 | C15 | H17 | 1.4° | 1.4° |
| O1 | C14 | C15 | H18 | 121.4° | 121.4° |
| O1 | C14 | C15 | H19 | 118.6° | 118.6° |
| C2 | N1 | RU1 | O41 | 102.3° | 102.3° |
| N1 | C2 | C7 | C3 | 176.1° | 176.1° |
| N1 | C2 | C7 | C6 | 179.0° | 179.0° |
| C2 | N1 | RU1 | O1 | 81.0° | 81.0° |
| C2 | N1 | RU1 | O4 | 115.8° | 115.8° |
| N1 | C2 | C3 | C4 | 178.6° | 178.6° |
| N1 | C2 | C3 | H20 | 1.4° | 1.4° |
| N1 | C2 | C7 | H22 | 1.0° | 1.0° |
| C2 | N1 | C1 | H23 | 51.0° | 51.0° |
| C2 | N1 | C1 | H24 | 65.4° | 65.4° |
| N1 | RU1 | O41 | O1 | 114.2° | 114.2° |
| N1 | RU1 | O41 | O4 | 179.2° | 179.2° |
| RU1 | N1 | C2 | C7 | 108.4° | 108.4° |
| RU1 | N1 | C2 | C3 | 67.4° | 67.4° |
| N1 | RU1 | O1 | O4 | 179.1° | 179.1° |
| N1 | RU1 | O4 | C41 | 71.9° | 71.9° |
| RU1 | N1 | C1 | H23 | 118.4° | 118.4° |
| RU1 | N1 | C1 | H24 | 125.2° | 125.2° |
| C32 | C22 | C17 | H9 | 120.7° | 120.7° |
| C32 | C22 | C17 | H10 | 120.7° | 120.7° |
| C32 | C22 | C17 | O22 | 142.8° | 142.8° |
| C32 | C22 | H9 | H10 | 117.8° | 117.8° |
| C22 | C32 | H12 | H13 | 117.8° | 117.8° |
| C22 | C32 | C42 | H14 | 93.3° | 93.3° |
| O41 | RU1 | O1 | O4 | 65.0° | 65.0° |
| O41 | RU1 | O4 | C41 | 85.4° | 85.4° |
| RU1 | O41 | C42 | H14 | 86.2° | 86.2° |
| C2 | C7 | C6 | H22 | 180.0° | 180.0° |
| C2 | C7 | C6 | C5 | 1.8° | 1.8° |
| C7 | C2 | C3 | C4 | 2.5° | 2.5° |
| C7 | C2 | C3 | H20 | 177.5° | 177.5° |
| C2 | C7 | C6 | H25 | 178.2° | 178.2° |
| C6 | C7 | C2 | C3 | 3.0° | 3.0° |
| C7 | C6 | C5 | H25 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.0° |
| C7 | C6 | C5 | H26 | 180.0° | 180.0° |
| C2 | C3 | C4 | H20 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.8° |
| C2 | C3 | C4 | H21 | 179.1° | 179.1° |
| C3 | C2 | C7 | H22 | 177.0° | 177.0° |
| O1 | RU1 | O4 | C41 | 91.3° | 91.3° |
| RU1 | O1 | C14 | H16 | 119.5° | 119.5° |
| RU1 | O4 | C41 | C31 | 177.5° | 177.5° |
| RU1 | O4 | C41 | H7 | 92.2° | 92.2° |
| C31 | C41 | O4 | H7 | 90.2° | 90.3° |
| C41 | C31 | C21 | H5 | 120.8° | 120.8° |
| C41 | C31 | C21 | H6 | 120.8° | 120.8° |
| C41 | C31 | C21 | C16 | 89.3° | 89.3° |
| C41 | C31 | C21 | H2 | 150.0° | 150.0° |
| C41 | C31 | C21 | H3 | 31.5° | 31.5° |
| C41 | C31 | H5 | H6 | 117.7° | 117.7° |
| O4 | C41 | C31 | C21 | 9.7° | 9.7° |
| O4 | C41 | C31 | H5 | 130.4° | 130.4° |
| O4 | C41 | C31 | H6 | 111.1° | 111.1° |
| C17 | C22 | H9 | H10 | 117.8° | 117.8° |
| C22 | C17 | O22 | H11 | 180.0° | 180.0° |
| C17 | C22 | C32 | H12 | 2.9° | 2.9° |
| C17 | C22 | C32 | H13 | 115.7° | 115.7° |
| O22 | C17 | C22 | H9 | 22.1° | 22.1° |
| O22 | C17 | C22 | H10 | 96.4° | 96.4° |
| C6 | C5 | C4 | C3 | 0.5° | 0.5° |
| C6 | C5 | C4 | H26 | 180.0° | 180.0° |
| C6 | C5 | C4 | H21 | 179.5° | 179.5° |
| C5 | C6 | C7 | H22 | 178.2° | 178.2° |
| C31 | C21 | C16 | O11 | 38.4° | 38.4° |
| C31 | C21 | C16 | H2 | 120.7° | 120.7° |
| C31 | C21 | C16 | H3 | 120.7° | 120.7° |
| C31 | C21 | C16 | O21 | 141.7° | 141.7° |
| C31 | C21 | H2 | H3 | 117.8° | 117.8° |
| C21 | C31 | H5 | H6 | 117.7° | 117.7° |
| C21 | C31 | C41 | H7 | 80.6° | 80.6° |
| C3 | C4 | C5 | H21 | 180.0° | 180.0° |
| C3 | C4 | C5 | H26 | 179.5° | 179.5° |
| C5 | C4 | C3 | H20 | 179.2° | 179.2° |
| C4 | C5 | C6 | H25 | 180.0° | 179.9° |
| O11 | C16 | C21 | O21 | 179.9° | 179.9° |
| O11 | C16 | C21 | H2 | 159.1° | 159.1° |
| O11 | C16 | C21 | H3 | 82.3° | 82.3° |
| O11 | C16 | O21 | H4 | 0.0° | 0.0° |
| C16 | C21 | H2 | H3 | 117.8° | 117.8° |
| C21 | C16 | O21 | H4 | 180.0° | 180.0° |
| C16 | C21 | C31 | H5 | 31.5° | 31.5° |
| C16 | C21 | C31 | H6 | 150.0° | 150.0° |
| O21 | C16 | C21 | H2 | 21.0° | 21.0° |
| O21 | C16 | C21 | H3 | 97.6° | 97.6° |
| H1 | C11 | C12 | H8 | 0.3° | 0.4° |
| H1 | C11 | C10 | H27 | 1.0° | 1.1° |
| H2 | C21 | C31 | H5 | 89.2° | 89.2° |
| H2 | C21 | C31 | H6 | 29.3° | 29.3° |
| H3 | C21 | C31 | H5 | 152.2° | 152.2° |
| H3 | C21 | C31 | H6 | 89.3° | 89.3° |
| H5 | C31 | C41 | H7 | 40.1° | 40.1° |
| H6 | C31 | C41 | H7 | 158.6° | 158.7° |
| H8 | C12 | C13 | H15 | 0.3° | 0.2° |
| H9 | C22 | C32 | H12 | 123.6° | 123.6° |
| H9 | C22 | C32 | H13 | 5.0° | 5.0° |
| H10 | C22 | C32 | H12 | 117.8° | 117.8° |
| H10 | C22 | C32 | H13 | 123.6° | 123.6° |
| H12 | C32 | C42 | H14 | 27.4° | 27.4° |
| H13 | C32 | C42 | H14 | 146.0° | 146.0° |
| H16 | C14 | C15 | H17 | 89.3° | 89.3° |
| H16 | C14 | C15 | H18 | 30.7° | 30.7° |
| H16 | C14 | C15 | H19 | 150.7° | 150.7° |
| H17 | C15 | H18 | H19 | 119.9° | 119.9° |
| H20 | C3 | C4 | H21 | 0.8° | 0.8° |
| H21 | C4 | C5 | H26 | 0.5° | 0.5° |
| H22 | C7 | C6 | H25 | 1.8° | 1.8° |
| H25 | C6 | C5 | H26 | 0.0° | 0.0° |
| H27 | C10 | C9 | H28 | 1.1° | 1.1° |
