CIF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | O | sing | 1.45Å | 1.42Å | |
| O | C14 | sing | 1.34Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| C14 | O1 | doub | 1.21Å | 1.22Å | |
| C14 | C4 | sing | 1.51Å | 1.50Å | |
| C7 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C6 | C1 | sing | 1.51Å | 1.47Å | |
| C1 | O4 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| O2 | C16 | doub | 1.21Å | 1.22Å | |
| C2 | C16 | sing | 1.51Å | 1.49Å | |
| C16 | N2 | sing | 1.35Å | 1.31Å | |
| N2 | C17 | sing | 1.40Å | 1.32Å | |
| C43 | C42 | doub | 1.38Å | 1.37Å | Aromatic |
| C43 | N44 | sing | 1.32Å | 1.30Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.35Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.37Å | Aromatic |
| N44 | C45 | doub | 1.32Å | 1.32Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.36Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.36Å | Aromatic |
| C45 | C40 | sing | 1.39Å | 1.37Å | Aromatic |
| C41 | C40 | doub | 1.40Å | 1.36Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.35Å | Aromatic |
| C21 | C23 | sing | 1.48Å | 1.49Å | |
| C40 | C37 | sing | 1.48Å | 1.48Å | |
| C23 | N25 | sing | 1.35Å | 1.30Å | |
| C23 | O24 | doub | 1.22Å | 1.19Å | |
| N25 | C26 | sing | 1.40Å | 1.33Å | |
| C27 | C26 | doub | 1.39Å | 1.35Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.35Å | Aromatic |
| C39 | C28 | sing | 1.51Å | 1.48Å | |
| C37 | N38 | doub | 1.33Å | 1.33Å | Aromatic |
| C37 | C36 | sing | 1.40Å | 1.37Å | Aromatic |
| C26 | C31 | sing | 1.39Å | 1.36Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.35Å | Aromatic |
| N38 | C33 | sing | 1.32Å | 1.32Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.37Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.36Å | Aromatic |
| C29 | N32 | sing | 1.40Å | 1.34Å | |
| C33 | N32 | sing | 1.39Å | 1.32Å | |
| C33 | N34 | doub | 1.33Å | 1.31Å | Aromatic |
| C35 | N34 | sing | 1.32Å | 1.31Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.08Å | 1.08Å | |
| C31 | H14 | sing | 1.08Å | 1.08Å | |
| C35 | H15 | sing | 1.08Å | 1.08Å | |
| C36 | H16 | sing | 1.08Å | 1.08Å | |
| C39 | H17 | sing | 1.09Å | 1.10Å | |
| C39 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C41 | H20 | sing | 1.08Å | 1.08Å | |
| C42 | H21 | sing | 1.08Å | 1.08Å | |
| C43 | H22 | sing | 1.08Å | 1.08Å | |
| C45 | H23 | sing | 1.08Å | 1.08Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C5 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| N2 | H30 | sing | 0.97Å | 1.00Å | |
| N25 | H31 | sing | 0.97Å | 1.00Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | O | C14 | 119.6° | 117.0° |
| O | C15 | H4 | 109.5° | 109.5° |
| O | C15 | H5 | 109.5° | 109.5° |
| O | C15 | H6 | 109.5° | 109.5° |
| O | C14 | O1 | 119.3° | 120.0° |
| O | C14 | C4 | 119.7° | 120.0° |
| C4 | C5 | C6 | 109.0° | 109.4° |
| C5 | C4 | C14 | 108.3° | 109.4° |
| C5 | C4 | C7 | 107.8° | 109.4° |
| C5 | C4 | C3 | 115.1° | 109.9° |
| C4 | C5 | H26 | 109.6° | 109.5° |
| C4 | C5 | H27 | 109.6° | 109.5° |
| C5 | C6 | C1 | 99.1° | 108.5° |
| C5 | C6 | H24 | 112.0° | 109.6° |
| C5 | C6 | H25 | 112.0° | 109.8° |
| C6 | C5 | H26 | 109.6° | 109.5° |
| C6 | C5 | H27 | 109.6° | 109.5° |
| O1 | C14 | C4 | 120.9° | 120.0° |
| C14 | C4 | C7 | 105.4° | 109.4° |
| C14 | C4 | C3 | 112.4° | 109.3° |
| C7 | C4 | C3 | 107.3° | 109.4° |
| C4 | C7 | H1 | 109.5° | 109.5° |
| C4 | C7 | H2 | 109.5° | 109.4° |
| C4 | C7 | H3 | 109.5° | 109.4° |
| C4 | C3 | C2 | 115.0° | 109.2° |
| C4 | C3 | H28 | 108.1° | 109.4° |
| C4 | C3 | H29 | 108.0° | 109.4° |
| C6 | C1 | O4 | 119.5° | 120.8° |
| C6 | C1 | C2 | 119.9° | 118.3° |
| C1 | C6 | H24 | 112.0° | 109.7° |
| C1 | C6 | H25 | 112.0° | 109.6° |
| O4 | C1 | C2 | 120.6° | 120.9° |
| C1 | C2 | C3 | 111.1° | 108.7° |
| C1 | C2 | C16 | 109.5° | 109.6° |
| C1 | C2 | H12 | 107.5° | 109.6° |
| C3 | C2 | C16 | 113.9° | 109.7° |
| C3 | C2 | H12 | 107.2° | 109.6° |
| C2 | C3 | H28 | 108.0° | 109.5° |
| C2 | C3 | H29 | 108.1° | 109.8° |
| O2 | C16 | C2 | 119.8° | 120.0° |
| O2 | C16 | N2 | 121.4° | 120.0° |
| C2 | C16 | N2 | 118.8° | 120.0° |
| C16 | C2 | H12 | 107.3° | 109.6° |
| C16 | N2 | C17 | 119.7° | 120.0° |
| C16 | N2 | H30 | 120.1° | 120.0° |
| N2 | C17 | C18 | 121.8° | 120.0° |
| N2 | C17 | C22 | 120.4° | 120.0° |
| C17 | N2 | H30 | 120.2° | 120.1° |
| C42 | C43 | N44 | 120.1° | 121.1° |
| C43 | C42 | C41 | 120.5° | 119.3° |
| C43 | C42 | H21 | 119.8° | 120.4° |
| C42 | C43 | H22 | 119.9° | 119.4° |
| C43 | N44 | C45 | 119.9° | 121.8° |
| N44 | C43 | H22 | 119.9° | 119.5° |
| C18 | C17 | C22 | 117.8° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.3° |
| C17 | C18 | H7 | 119.9° | 119.9° |
| C17 | C22 | C21 | 123.1° | 119.8° |
| C17 | C22 | H10 | 118.4° | 120.1° |
| C18 | C19 | C20 | 121.4° | 120.2° |
| C19 | C18 | H7 | 120.0° | 119.9° |
| C18 | C19 | H8 | 119.3° | 119.9° |
| C42 | C41 | C40 | 118.9° | 118.3° |
| C42 | C41 | H20 | 120.6° | 120.8° |
| C41 | C42 | H21 | 119.7° | 120.3° |
| N44 | C45 | C40 | 123.3° | 120.6° |
| N44 | C45 | H23 | 118.4° | 119.7° |
| C22 | C21 | C20 | 118.8° | 119.8° |
| C22 | C21 | C23 | 121.0° | 120.1° |
| C21 | C22 | H10 | 118.5° | 120.1° |
| C19 | C20 | C21 | 118.7° | 120.0° |
| C20 | C19 | H8 | 119.3° | 119.9° |
| C19 | C20 | H9 | 120.6° | 120.0° |
| C45 | C40 | C41 | 117.2° | 118.9° |
| C45 | C40 | C37 | 120.0° | 120.5° |
| C40 | C45 | H23 | 118.4° | 119.7° |
| C41 | C40 | C37 | 122.7° | 120.6° |
| C40 | C41 | H20 | 120.5° | 120.8° |
| C20 | C21 | C23 | 120.2° | 120.1° |
| C21 | C20 | H9 | 120.7° | 120.0° |
| C21 | C23 | N25 | 119.5° | 120.0° |
| C21 | C23 | O24 | 120.3° | 120.0° |
| C40 | C37 | N38 | 118.4° | 120.5° |
| C40 | C37 | C36 | 123.4° | 120.5° |
| N25 | C23 | O24 | 120.2° | 120.0° |
| C23 | N25 | C26 | 123.5° | 120.0° |
| C23 | N25 | H31 | 118.2° | 120.0° |
| N25 | C26 | C27 | 117.7° | 119.9° |
| N25 | C26 | C31 | 124.7° | 120.0° |
| C26 | N25 | H31 | 118.3° | 120.0° |
| C26 | C27 | C28 | 122.4° | 119.9° |
| C27 | C26 | C31 | 117.6° | 120.0° |
| C26 | C27 | H11 | 118.8° | 120.0° |
| C27 | C28 | C39 | 114.8° | 120.0° |
| C27 | C28 | C29 | 121.1° | 120.0° |
| C28 | C27 | H11 | 118.8° | 120.0° |
| C39 | C28 | C29 | 124.2° | 120.0° |
| C28 | C39 | H17 | 109.5° | 109.5° |
| C28 | C39 | H18 | 109.5° | 109.5° |
| C28 | C39 | H19 | 109.5° | 109.5° |
| N38 | C37 | C36 | 118.2° | 119.0° |
| C37 | N38 | C33 | 122.2° | 120.6° |
| C37 | C36 | C35 | 118.0° | 118.4° |
| C37 | C36 | H16 | 121.0° | 120.8° |
| C26 | C31 | C30 | 120.0° | 120.0° |
| C26 | C31 | H14 | 120.0° | 120.0° |
| C28 | C29 | C30 | 116.9° | 120.0° |
| C28 | C29 | N32 | 124.4° | 120.0° |
| N38 | C33 | N32 | 119.6° | 119.2° |
| N38 | C33 | N34 | 120.2° | 121.7° |
| C36 | C35 | N34 | 121.0° | 119.3° |
| C36 | C35 | H15 | 119.5° | 120.3° |
| C35 | C36 | H16 | 121.0° | 120.8° |
| C31 | C30 | C29 | 122.1° | 120.0° |
| C31 | C30 | H13 | 119.0° | 119.9° |
| C30 | C31 | H14 | 120.0° | 120.0° |
| C30 | C29 | N32 | 118.7° | 120.0° |
| C29 | C30 | H13 | 118.9° | 120.0° |
| C29 | N32 | C33 | 123.5° | 120.0° |
| C29 | N32 | H32 | 118.3° | 120.0° |
| N32 | C33 | N34 | 120.2° | 119.1° |
| C33 | N32 | H32 | 118.3° | 120.0° |
| C33 | N34 | C35 | 120.3° | 121.0° |
| N34 | C35 | H15 | 119.5° | 120.4° |
| H1 | C7 | H2 | 109.4° | 109.5° |
| H1 | C7 | H3 | 109.5° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H4 | C15 | H6 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.4° | 109.5° |
| H17 | C39 | H18 | 109.5° | 109.5° |
| H17 | C39 | H19 | 109.5° | 109.4° |
| H18 | C39 | H19 | 109.5° | 109.5° |
| H24 | C6 | H25 | 109.5° | 109.6° |
| H26 | C5 | H27 | 109.5° | 109.6° |
| H28 | C3 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | O | C14 | O1 | 8.6° | 0.0° |
| C15 | O | C14 | C4 | 173.0° | 180.0° |
| O | C15 | H4 | H5 | 120.0° | 120.0° |
| O | C15 | H4 | H6 | 120.0° | 120.0° |
| O | C15 | H5 | H6 | 120.0° | 120.0° |
| O | C14 | C4 | C5 | 12.5° | 59.8° |
| O | C14 | O1 | C4 | 178.4° | 179.9° |
| O | C14 | C4 | C7 | 127.7° | 60.1° |
| O | C14 | C4 | C3 | 115.8° | 179.8° |
| C14 | O | C15 | H4 | 180.0° | 180.0° |
| C14 | O | C15 | H5 | 60.0° | 60.0° |
| C14 | O | C15 | H6 | 60.0° | 60.0° |
| C4 | C5 | C6 | H26 | 119.9° | 119.9° |
| C4 | C5 | C6 | H27 | 119.9° | 119.9° |
| C5 | C4 | C14 | O1 | 165.9° | 120.1° |
| C5 | C4 | C14 | C7 | 115.1° | 119.9° |
| C5 | C4 | C14 | C3 | 128.3° | 120.4° |
| C5 | C4 | C7 | C3 | 124.5° | 120.4° |
| C4 | C5 | C6 | C1 | 72.8° | 54.6° |
| C5 | C4 | C3 | C2 | 19.8° | 63.5° |
| C5 | C4 | C7 | H1 | 180.0° | 165.1° |
| C5 | C4 | C7 | H2 | 60.0° | 45.1° |
| C5 | C4 | C7 | H3 | 60.0° | 74.9° |
| C4 | C5 | C6 | H24 | 45.5° | 65.1° |
| C4 | C5 | C6 | H25 | 168.9° | 174.4° |
| C4 | C5 | H26 | H27 | 120.2° | 120.0° |
| C5 | C4 | C3 | H28 | 140.6° | 56.4° |
| C5 | C4 | C3 | H29 | 101.0° | 176.3° |
| C6 | C5 | C4 | C14 | 90.9° | 176.4° |
| C6 | C5 | C4 | C7 | 155.5° | 56.5° |
| C6 | C5 | C4 | C3 | 35.9° | 63.6° |
| C5 | C6 | C1 | H24 | 118.3° | 119.7° |
| C5 | C6 | C1 | H25 | 118.3° | 119.9° |
| C5 | C6 | C1 | O4 | 117.9° | 128.6° |
| C5 | C6 | C1 | C2 | 62.2° | 51.3° |
| C5 | C6 | H24 | H25 | 124.9° | 120.5° |
| C6 | C5 | H26 | H27 | 120.2° | 120.1° |
| O1 | C14 | C4 | C7 | 50.7° | 120.0° |
| O1 | C14 | C4 | C3 | 65.8° | 0.3° |
| C14 | C4 | C7 | C3 | 120.0° | 119.7° |
| C14 | C4 | C3 | C2 | 144.5° | 176.4° |
| C14 | C4 | C7 | H1 | 64.5° | 75.1° |
| C14 | C4 | C7 | H2 | 175.5° | 165.0° |
| C14 | C4 | C7 | H3 | 55.5° | 45.0° |
| C14 | C4 | C5 | H26 | 29.1° | 56.4° |
| C14 | C4 | C5 | H27 | 149.2° | 63.7° |
| C14 | C4 | C3 | H28 | 94.7° | 63.7° |
| C14 | C4 | C3 | H29 | 23.7° | 56.2° |
| C7 | C4 | C3 | C2 | 100.1° | 56.6° |
| C4 | C7 | H1 | H2 | 120.0° | 120.0° |
| C4 | C7 | H1 | H3 | 120.0° | 120.0° |
| C4 | C7 | H2 | H3 | 120.0° | 120.0° |
| C7 | C4 | C5 | H26 | 84.5° | 63.4° |
| C7 | C4 | C5 | H27 | 35.6° | 176.5° |
| C7 | C4 | C3 | H28 | 20.7° | 176.5° |
| C7 | C4 | C3 | H29 | 139.1° | 63.5° |
| C4 | C3 | C2 | C1 | 32.8° | 54.6° |
| C4 | C3 | C2 | H28 | 120.8° | 119.8° |
| C4 | C3 | C2 | H29 | 120.8° | 119.9° |
| C4 | C3 | C2 | C16 | 91.5° | 65.3° |
| C3 | C4 | C7 | H1 | 55.4° | 44.6° |
| C3 | C4 | C7 | H2 | 64.5° | 75.4° |
| C3 | C4 | C7 | H3 | 175.4° | 164.6° |
| C4 | C3 | C2 | H12 | 149.9° | 174.3° |
| C3 | C4 | C5 | H26 | 155.8° | 176.5° |
| C3 | C4 | C5 | H27 | 84.0° | 56.4° |
| C4 | C3 | H28 | H29 | 117.4° | 119.9° |
| C6 | C1 | O4 | C2 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 10.0° | 51.5° |
| C6 | C1 | C2 | C16 | 136.8° | 68.4° |
| C6 | C1 | C2 | H12 | 106.9° | 171.3° |
| C1 | C6 | H24 | H25 | 124.9° | 120.4° |
| C1 | C6 | C5 | H26 | 167.3° | 174.6° |
| C1 | C6 | C5 | H27 | 47.1° | 65.3° |
| O4 | C1 | C2 | C3 | 170.1° | 128.5° |
| O4 | C1 | C2 | C16 | 43.4° | 111.6° |
| O4 | C1 | C2 | H12 | 72.9° | 8.7° |
| O4 | C1 | C6 | H24 | 123.8° | 111.6° |
| O4 | C1 | C6 | H25 | 0.3° | 8.7° |
| C1 | C2 | C3 | C16 | 124.3° | 119.8° |
| C1 | C2 | C3 | H12 | 117.1° | 119.8° |
| C1 | C2 | C16 | O2 | 14.9° | 9.3° |
| C1 | C2 | C16 | H12 | 116.4° | 120.3° |
| C1 | C2 | C16 | N2 | 165.1° | 171.0° |
| C2 | C1 | C6 | H24 | 56.1° | 68.4° |
| C2 | C1 | C6 | H25 | 179.5° | 171.2° |
| C1 | C2 | C3 | H28 | 153.6° | 65.3° |
| C1 | C2 | C3 | H29 | 88.0° | 174.5° |
| C3 | C2 | C16 | O2 | 110.2° | 128.6° |
| C3 | C2 | C16 | H12 | 118.5° | 120.4° |
| C3 | C2 | C16 | N2 | 69.8° | 51.7° |
| C2 | C3 | H28 | H29 | 117.5° | 120.4° |
| O2 | C16 | C2 | N2 | 180.0° | 179.7° |
| O2 | C16 | N2 | C17 | 40.7° | 5.2° |
| O2 | C16 | C2 | H12 | 131.2° | 111.0° |
| O2 | C16 | N2 | H30 | 139.3° | 174.8° |
| C2 | C16 | N2 | C17 | 139.2° | 174.5° |
| C16 | C2 | C3 | H28 | 29.3° | 174.9° |
| C16 | C2 | C3 | H29 | 147.7° | 54.7° |
| C2 | C16 | N2 | H30 | 40.8° | 5.5° |
| C16 | N2 | C17 | H30 | 180.0° | 180.0° |
| C16 | N2 | C17 | C18 | 17.5° | 147.0° |
| C16 | N2 | C17 | C22 | 163.2° | 33.3° |
| N2 | C16 | C2 | H12 | 48.7° | 68.7° |
| N2 | C17 | C18 | C22 | 179.3° | 179.7° |
| N2 | C17 | C18 | C19 | 179.5° | 179.7° |
| N2 | C17 | C22 | C21 | 177.6° | 179.7° |
| N2 | C17 | C18 | H7 | 0.4° | 0.2° |
| N2 | C17 | C22 | H10 | 2.4° | 0.3° |
| C42 | C43 | N44 | H22 | 180.0° | 180.0° |
| C43 | C42 | C41 | H21 | 180.0° | 179.9° |
| C42 | C43 | N44 | C45 | 0.6° | 0.3° |
| C43 | C42 | C41 | C40 | 0.1° | 0.1° |
| C43 | C42 | C41 | H20 | 179.9° | 180.0° |
| N44 | C43 | C42 | C41 | 0.5° | 0.1° |
| C43 | N44 | C45 | C40 | 0.0° | 0.6° |
| N44 | C43 | C42 | H21 | 179.5° | 179.9° |
| C43 | N44 | C45 | H23 | 180.0° | 179.7° |
| C17 | C18 | C19 | H7 | 180.0° | 180.0° |
| C18 | C17 | C22 | C21 | 1.7° | 0.0° |
| C17 | C18 | C19 | C20 | 1.2° | 0.0° |
| C17 | C18 | C19 | H8 | 178.8° | 180.0° |
| C18 | C17 | C22 | H10 | 178.4° | 180.0° |
| C18 | C17 | N2 | H30 | 162.5° | 33.0° |
| C22 | C17 | C18 | C19 | 0.3° | 0.0° |
| C17 | C22 | C21 | H10 | 180.0° | 180.0° |
| C17 | C22 | C21 | C20 | 2.7° | 0.0° |
| C17 | C22 | C21 | C23 | 178.9° | 180.0° |
| C22 | C17 | C18 | H7 | 179.7° | 180.0° |
| C22 | C17 | N2 | H30 | 16.8° | 146.8° |
| C18 | C19 | C20 | H8 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H9 | 179.9° | 180.0° |
| C42 | C41 | C40 | C45 | 0.6° | 0.2° |
| C42 | C41 | C40 | H20 | 180.0° | 180.0° |
| C42 | C41 | C40 | C37 | 179.0° | 180.0° |
| C41 | C42 | C43 | H22 | 179.5° | 179.9° |
| N44 | C45 | C40 | H23 | 180.0° | 179.7° |
| N44 | C45 | C40 | C41 | 0.6° | 0.6° |
| N44 | C45 | C40 | C37 | 179.0° | 179.7° |
| C45 | N44 | C43 | H22 | 179.4° | 179.7° |
| C22 | C21 | C20 | C19 | 1.7° | 0.0° |
| C22 | C21 | C20 | C23 | 178.4° | 179.9° |
| C22 | C21 | C23 | N25 | 33.8° | 179.9° |
| C22 | C21 | C23 | O24 | 147.7° | 0.0° |
| C22 | C21 | C20 | H9 | 178.3° | 180.0° |
| C19 | C20 | C21 | H9 | 180.0° | 179.9° |
| C19 | C20 | C21 | C23 | 179.8° | 179.9° |
| C20 | C19 | C18 | H7 | 178.8° | 179.9° |
| C45 | C40 | C41 | C37 | 178.3° | 179.8° |
| C45 | C40 | C37 | N38 | 2.6° | 179.7° |
| C45 | C40 | C37 | C36 | 176.4° | 0.3° |
| C45 | C40 | C41 | H20 | 179.4° | 179.7° |
| C41 | C40 | C37 | N38 | 179.1° | 0.1° |
| C41 | C40 | C37 | C36 | 1.9° | 180.0° |
| C40 | C41 | C42 | H21 | 179.9° | 180.0° |
| C41 | C40 | C45 | H23 | 179.4° | 179.8° |
| C20 | C21 | C23 | N25 | 147.8° | 0.0° |
| C20 | C21 | C23 | O24 | 30.8° | 180.0° |
| C21 | C20 | C19 | H8 | 179.9° | 180.0° |
| C20 | C21 | C22 | H10 | 177.3° | 180.0° |
| C21 | C23 | N25 | O24 | 178.5° | 180.0° |
| C21 | C23 | N25 | C26 | 174.6° | 175.3° |
| C23 | C21 | C20 | H9 | 0.2° | 0.0° |
| C23 | C21 | C22 | H10 | 1.1° | 0.1° |
| C21 | C23 | N25 | H31 | 5.4° | 4.8° |
| C40 | C37 | N38 | C36 | 179.0° | 180.0° |
| C40 | C37 | N38 | C33 | 178.2° | 180.0° |
| C40 | C37 | C36 | C35 | 179.4° | 179.8° |
| C40 | C37 | C36 | H16 | 0.6° | 0.0° |
| C37 | C40 | C41 | H20 | 1.0° | 0.0° |
| C37 | C40 | C45 | H23 | 1.0° | 0.0° |
| C23 | N25 | C26 | H31 | 180.0° | 180.0° |
| C23 | N25 | C26 | C27 | 136.3° | 33.2° |
| C23 | N25 | C26 | C31 | 46.1° | 147.0° |
| O24 | C23 | N25 | C26 | 6.9° | 4.7° |
| O24 | C23 | N25 | H31 | 173.1° | 175.2° |
| N25 | C26 | C27 | C31 | 177.8° | 179.8° |
| N25 | C26 | C27 | C28 | 179.0° | 179.7° |
| N25 | C26 | C31 | C30 | 178.1° | 179.7° |
| N25 | C26 | C27 | H11 | 1.0° | 0.3° |
| N25 | C26 | C31 | H14 | 1.9° | 0.2° |
| C26 | C27 | C28 | H11 | 180.0° | 180.0° |
| C26 | C27 | C28 | C39 | 179.8° | 180.0° |
| C26 | C27 | C28 | C29 | 0.6° | 0.1° |
| C27 | C26 | C31 | C30 | 0.5° | 0.0° |
| C27 | C26 | C31 | H14 | 179.6° | 179.9° |
| C27 | C26 | N25 | H31 | 43.7° | 146.8° |
| C27 | C28 | C39 | C29 | 179.6° | 179.9° |
| C28 | C27 | C26 | C31 | 1.2° | 0.1° |
| C27 | C28 | C29 | C30 | 0.7° | 0.0° |
| C27 | C28 | C29 | N32 | 179.4° | 180.0° |
| C27 | C28 | C39 | H17 | 89.8° | 90.0° |
| C27 | C28 | C39 | H18 | 150.2° | 150.0° |
| C27 | C28 | C39 | H19 | 30.2° | 30.0° |
| C39 | C28 | C29 | C30 | 178.8° | 180.0° |
| C39 | C28 | C29 | N32 | 0.1° | 0.1° |
| C39 | C28 | C27 | H11 | 0.2° | 0.0° |
| C28 | C39 | H17 | H18 | 120.0° | 120.0° |
| C28 | C39 | H17 | H19 | 120.0° | 120.0° |
| C28 | C39 | H18 | H19 | 120.0° | 120.0° |
| N38 | C37 | C36 | C35 | 0.5° | 0.3° |
| C37 | N38 | C33 | N32 | 179.9° | 180.0° |
| C37 | N38 | C33 | N34 | 2.0° | 0.2° |
| N38 | C37 | C36 | H16 | 179.5° | 180.0° |
| C36 | C37 | N38 | C33 | 0.8° | 0.1° |
| C37 | C36 | C35 | H16 | 180.0° | 179.7° |
| C37 | C36 | C35 | N34 | 0.7° | 0.3° |
| C37 | C36 | C35 | H15 | 179.3° | 179.7° |
| C26 | C31 | C30 | H14 | 180.0° | 179.9° |
| C26 | C31 | C30 | C29 | 0.9° | 0.0° |
| C31 | C26 | C27 | H11 | 178.8° | 180.0° |
| C26 | C31 | C30 | H13 | 179.1° | 179.9° |
| C31 | C26 | N25 | H31 | 133.9° | 32.9° |
| C28 | C29 | C30 | C31 | 1.4° | 0.0° |
| C28 | C29 | C30 | N32 | 178.8° | 180.0° |
| C28 | C29 | N32 | C33 | 34.6° | 152.1° |
| C29 | C28 | C27 | H11 | 179.4° | 180.0° |
| C28 | C29 | C30 | H13 | 178.5° | 179.9° |
| C29 | C28 | C39 | H17 | 89.7° | 90.1° |
| C29 | C28 | C39 | H18 | 30.3° | 30.0° |
| C29 | C28 | C39 | H19 | 150.2° | 150.0° |
| C28 | C29 | N32 | H32 | 145.4° | 27.8° |
| N38 | C33 | N32 | C29 | 30.7° | 175.6° |
| N38 | C33 | N32 | N34 | 177.9° | 179.8° |
| N38 | C33 | N34 | C35 | 1.7° | 0.2° |
| N38 | C33 | N32 | H32 | 149.3° | 4.4° |
| C36 | C35 | N34 | C33 | 0.4° | 0.0° |
| C36 | C35 | N34 | H15 | 180.0° | 180.0° |
| C31 | C30 | C29 | H13 | 180.0° | 180.0° |
| C31 | C30 | C29 | N32 | 179.8° | 180.0° |
| C30 | C29 | N32 | C33 | 146.8° | 27.9° |
| C29 | C30 | C31 | H14 | 179.1° | 179.9° |
| C30 | C29 | N32 | H32 | 33.3° | 152.1° |
| C29 | N32 | C33 | H32 | 180.0° | 180.0° |
| C29 | N32 | C33 | N34 | 151.4° | 4.6° |
| N32 | C29 | C30 | H13 | 0.3° | 0.0° |
| N32 | C33 | N34 | C35 | 179.7° | 180.0° |
| C33 | N34 | C35 | H15 | 179.5° | 179.9° |
| N34 | C33 | N32 | H32 | 28.6° | 175.3° |
| N34 | C35 | C36 | H16 | 179.3° | 180.0° |
| H1 | C7 | H2 | H3 | 120.0° | 120.1° |
| H4 | C15 | H5 | H6 | 120.0° | 120.0° |
| H7 | C18 | C19 | H8 | 1.2° | 0.0° |
| H8 | C19 | C20 | H9 | 0.1° | 0.1° |
| H12 | C2 | C3 | H28 | 89.3° | 54.5° |
| H12 | C2 | C3 | H29 | 29.1° | 65.7° |
| H13 | C30 | C31 | H14 | 0.9° | 0.0° |
| H15 | C35 | C36 | H16 | 0.6° | 0.0° |
| H17 | C39 | H18 | H19 | 120.0° | 119.9° |
| H20 | C41 | C42 | H21 | 0.1° | 0.1° |
| H21 | C42 | C43 | H22 | 0.5° | 0.0° |
| H24 | C6 | C5 | H26 | 74.4° | 54.8° |
| H24 | C6 | C5 | H27 | 165.4° | 174.9° |
| H25 | C6 | C5 | H26 | 49.0° | 65.6° |
| H25 | C6 | C5 | H27 | 71.1° | 54.5° |
