ECA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C17 | sing | 1.36Å | 1.32Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | O19 | sing | 1.36Å | 1.31Å | |
| C18 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| O19 | H19 | sing | 0.97Å | 0.95Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | C11 | sing | 1.48Å | 1.52Å | |
| C11 | O12 | doub | 1.22Å | 1.24Å | |
| C11 | N10 | sing | 1.35Å | 1.36Å | |
| N10 | C9 | sing | 1.47Å | 1.46Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C9 | C2 | sing | 1.51Å | 1.51Å | |
| C9 | H9C1 | sing | 1.09Å | 1.10Å | |
| C9 | H9C2 | sing | 1.09Å | 1.10Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C8 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | N21 | sing | 1.46Å | 1.47Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| N21 | C22 | sing | 1.35Å | 1.34Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C22 | O23 | doub | 1.22Å | 1.25Å | |
| C22 | C24 | sing | 1.48Å | 1.51Å | |
| C24 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.39Å | 1.37Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | O31 | sing | 1.36Å | 1.28Å | |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| C29 | O30 | sing | 1.36Å | 1.33Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.51Å | 1.48Å | |
| C7 | N32 | sing | 1.46Å | 1.44Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| N32 | C33 | sing | 1.35Å | 1.32Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| C33 | O34 | doub | 1.22Å | 1.23Å | |
| C33 | C35 | sing | 1.48Å | 1.54Å | |
| C35 | C36 | doub | 1.40Å | 1.41Å | Aromatic |
| C35 | C40 | sing | 1.40Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | O42 | sing | 1.36Å | 1.33Å | |
| C39 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| O42 | H42 | sing | 0.97Å | 0.95Å | |
| C40 | O41 | sing | 1.36Å | 1.30Å | |
| O41 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | O20 | H20 | 109.5° | 106.8° |
| O20 | C17 | C18 | 119.1° | 120.0° |
| O20 | C17 | C16 | 121.2° | 120.1° |
| C18 | C17 | C16 | 119.8° | 120.0° |
| C17 | C18 | O19 | 119.6° | 120.2° |
| C17 | C18 | C13 | 121.4° | 119.7° |
| C17 | C16 | C15 | 119.0° | 120.3° |
| C17 | C16 | H16 | 120.5° | 119.8° |
| O19 | C18 | C13 | 118.9° | 120.1° |
| C18 | O19 | H19 | 109.5° | 106.8° |
| C18 | C13 | C14 | 118.5° | 119.7° |
| C18 | C13 | C11 | 120.3° | 120.2° |
| C15 | C16 | H16 | 120.5° | 119.8° |
| C16 | C15 | C14 | 120.2° | 120.4° |
| C16 | C15 | H15 | 119.9° | 119.8° |
| C14 | C15 | H15 | 119.9° | 119.8° |
| C15 | C14 | C13 | 121.2° | 120.0° |
| C15 | C14 | H14 | 119.4° | 120.0° |
| C13 | C14 | H14 | 119.4° | 120.0° |
| C14 | C13 | C11 | 121.2° | 120.1° |
| C13 | C11 | O12 | 117.4° | 120.0° |
| C13 | C11 | N10 | 120.9° | 120.0° |
| O12 | C11 | N10 | 121.7° | 120.0° |
| C11 | N10 | C9 | 121.5° | 120.0° |
| C11 | N10 | H10 | 119.3° | 120.0° |
| C9 | N10 | H10 | 119.3° | 120.0° |
| N10 | C9 | C2 | 111.0° | 109.4° |
| N10 | C9 | H9C1 | 108.6° | 109.5° |
| N10 | C9 | H9C2 | 108.9° | 109.5° |
| C2 | C9 | H9C1 | 108.6° | 109.5° |
| C2 | C9 | H9C2 | 109.0° | 109.4° |
| C9 | C2 | C1 | 120.1° | 120.0° |
| C9 | C2 | C3 | 120.7° | 120.0° |
| H9C1 | C9 | H9C2 | 110.7° | 109.5° |
| C1 | C2 | C3 | 119.2° | 120.0° |
| C2 | C1 | C6 | 120.4° | 120.0° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C2 | C3 | C4 | 120.7° | 119.9° |
| C2 | C3 | H3 | 119.6° | 120.0° |
| C6 | C1 | H1 | 119.8° | 120.0° |
| C1 | C6 | C5 | 120.8° | 120.0° |
| C1 | C6 | C7 | 115.9° | 120.0° |
| C4 | C3 | H3 | 119.6° | 120.0° |
| C3 | C4 | C8 | 117.1° | 119.9° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C8 | C4 | C5 | 122.7° | 120.0° |
| C4 | C8 | N21 | 114.5° | 109.5° |
| C4 | C8 | H8C1 | 106.7° | 109.5° |
| C4 | C8 | H8C2 | 107.8° | 109.4° |
| C4 | C5 | C6 | 118.7° | 120.0° |
| C4 | C5 | H5 | 120.7° | 120.0° |
| N21 | C8 | H8C1 | 106.7° | 109.5° |
| N21 | C8 | H8C2 | 107.8° | 109.5° |
| C8 | N21 | C22 | 120.0° | 120.0° |
| C8 | N21 | H21 | 120.0° | 120.0° |
| H8C1 | C8 | H8C2 | 113.5° | 109.5° |
| C22 | N21 | H21 | 120.0° | 120.0° |
| N21 | C22 | O23 | 119.1° | 120.0° |
| N21 | C22 | C24 | 118.7° | 120.0° |
| O23 | C22 | C24 | 121.5° | 120.0° |
| C22 | C24 | C25 | 118.8° | 120.2° |
| C22 | C24 | C29 | 123.7° | 120.2° |
| C25 | C24 | C29 | 117.3° | 119.6° |
| C24 | C25 | C26 | 122.5° | 120.0° |
| C24 | C25 | H25 | 118.7° | 120.0° |
| C24 | C29 | C28 | 118.6° | 119.7° |
| C24 | C29 | O30 | 123.9° | 120.2° |
| C26 | C25 | H25 | 118.8° | 120.0° |
| C25 | C26 | C27 | 119.7° | 120.4° |
| C25 | C26 | H26 | 120.1° | 119.8° |
| C27 | C26 | H26 | 120.1° | 119.8° |
| C26 | C27 | C28 | 117.2° | 120.3° |
| C26 | C27 | H27 | 121.4° | 119.9° |
| C28 | C27 | H27 | 121.4° | 119.8° |
| C27 | C28 | O31 | 118.4° | 120.0° |
| C27 | C28 | C29 | 124.6° | 120.0° |
| O31 | C28 | C29 | 116.9° | 120.0° |
| C28 | O31 | H31 | 109.5° | 106.9° |
| C28 | C29 | O30 | 117.5° | 120.2° |
| C29 | O30 | H30 | 109.5° | 106.8° |
| C6 | C5 | H5 | 120.7° | 120.1° |
| C5 | C6 | C7 | 123.3° | 120.0° |
| C6 | C7 | N32 | 112.7° | 109.5° |
| C6 | C7 | H7C1 | 107.6° | 109.4° |
| C6 | C7 | H7C2 | 108.4° | 109.4° |
| N32 | C7 | H7C1 | 107.7° | 109.5° |
| N32 | C7 | H7C2 | 108.4° | 109.5° |
| C7 | N32 | C33 | 123.1° | 120.0° |
| C7 | N32 | H32 | 118.4° | 120.0° |
| H7C1 | C7 | H7C2 | 112.0° | 109.5° |
| C33 | N32 | H32 | 118.4° | 120.0° |
| N32 | C33 | O34 | 116.7° | 120.0° |
| N32 | C33 | C35 | 122.7° | 120.0° |
| O34 | C33 | C35 | 119.9° | 120.0° |
| C33 | C35 | C36 | 122.3° | 120.2° |
| C33 | C35 | C40 | 122.6° | 120.2° |
| C36 | C35 | C40 | 114.8° | 119.7° |
| C35 | C36 | C37 | 121.1° | 120.0° |
| C35 | C36 | H36 | 119.4° | 120.0° |
| C35 | C40 | C39 | 123.8° | 119.7° |
| C35 | C40 | O41 | 122.1° | 120.2° |
| C37 | C36 | H36 | 119.4° | 120.0° |
| C36 | C37 | C38 | 122.3° | 120.3° |
| C36 | C37 | H37 | 118.8° | 119.8° |
| C38 | C37 | H37 | 118.8° | 119.9° |
| C37 | C38 | C39 | 116.0° | 120.3° |
| C37 | C38 | H38 | 122.0° | 119.8° |
| C39 | C38 | H38 | 122.0° | 119.8° |
| C38 | C39 | O42 | 122.9° | 120.0° |
| C38 | C39 | C40 | 121.8° | 120.0° |
| O42 | C39 | C40 | 115.3° | 120.0° |
| C39 | O42 | H42 | 109.5° | 106.8° |
| C39 | C40 | O41 | 114.0° | 120.1° |
| C40 | O41 | H41 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C17 | C18 | C16 | 179.5° | 179.8° |
| O20 | C17 | C18 | O19 | 2.7° | 0.2° |
| O20 | C17 | C18 | C13 | 179.3° | 179.8° |
| O20 | C17 | C16 | C15 | 179.8° | 180.0° |
| O20 | C17 | C16 | H16 | 0.2° | 0.0° |
| H20 | O20 | C17 | C18 | 127.7° | 90.3° |
| H20 | O20 | C17 | C16 | 52.8° | 89.9° |
| C17 | C18 | O19 | C13 | 176.7° | 179.6° |
| C17 | C18 | O19 | H19 | 139.2° | 90.4° |
| C18 | C17 | C16 | C15 | 0.7° | 0.2° |
| C18 | C17 | C16 | H16 | 179.3° | 179.8° |
| C17 | C18 | C13 | C14 | 0.4° | 0.5° |
| C17 | C18 | C13 | C11 | 179.7° | 179.8° |
| C16 | C17 | C18 | O19 | 177.9° | 180.0° |
| C16 | C17 | C18 | C13 | 1.2° | 0.5° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 1.4° | 0.0° |
| C17 | C16 | C15 | H15 | 178.7° | 180.0° |
| O19 | C18 | C13 | C14 | 176.2° | 180.0° |
| O19 | C18 | C13 | C11 | 3.6° | 0.2° |
| C13 | C18 | O19 | H19 | 37.6° | 90.0° |
| C18 | C13 | C14 | C15 | 2.6° | 0.2° |
| C18 | C13 | C14 | C11 | 179.8° | 179.8° |
| C18 | C13 | C14 | H14 | 177.4° | 179.8° |
| C18 | C13 | C11 | O12 | 163.3° | 0.2° |
| C18 | C13 | C11 | N10 | 15.7° | 179.8° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 3.1° | 0.0° |
| C16 | C15 | C14 | H14 | 176.9° | 180.0° |
| H16 | C16 | C15 | C14 | 178.6° | 180.0° |
| H16 | C16 | C15 | H15 | 1.3° | 0.0° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C11 | 177.6° | 180.0° |
| H15 | C15 | C14 | C13 | 176.9° | 180.0° |
| H15 | C15 | C14 | H14 | 3.1° | 0.0° |
| C14 | C13 | C11 | O12 | 16.5° | 180.0° |
| C14 | C13 | C11 | N10 | 164.4° | 0.0° |
| H14 | C14 | C13 | C11 | 2.5° | 0.0° |
| C13 | C11 | O12 | N10 | 179.0° | 180.0° |
| C13 | C11 | N10 | C9 | 173.9° | 180.0° |
| C13 | C11 | N10 | H10 | 6.1° | 0.0° |
| O12 | C11 | N10 | C9 | 5.1° | 0.0° |
| O12 | C11 | N10 | H10 | 174.9° | 180.0° |
| C11 | N10 | C9 | H10 | 180.0° | 180.0° |
| C11 | N10 | C9 | C2 | 69.8° | 180.0° |
| C11 | N10 | C9 | H9C1 | 49.6° | 60.0° |
| C11 | N10 | C9 | H9C2 | 170.2° | 60.0° |
| N10 | C9 | C2 | H9C1 | 119.4° | 120.0° |
| N10 | C9 | C2 | H9C2 | 120.0° | 119.9° |
| N10 | C9 | H9C1 | H9C2 | 119.6° | 120.0° |
| N10 | C9 | C2 | C1 | 30.9° | 90.1° |
| N10 | C9 | C2 | C3 | 147.5° | 90.3° |
| H10 | N10 | C9 | C2 | 110.2° | 0.0° |
| H10 | N10 | C9 | H9C1 | 130.4° | 120.0° |
| H10 | N10 | C9 | H9C2 | 9.8° | 120.0° |
| C2 | C9 | H9C1 | H9C2 | 119.6° | 120.0° |
| C9 | C2 | C1 | C3 | 178.4° | 179.7° |
| C9 | C2 | C1 | C6 | 179.3° | 180.0° |
| C9 | C2 | C1 | H1 | 0.7° | 0.1° |
| C9 | C2 | C3 | C4 | 179.2° | 179.8° |
| C9 | C2 | C3 | H3 | 0.8° | 0.3° |
| H9C1 | C9 | C2 | C1 | 150.2° | 30.0° |
| H9C1 | C9 | C2 | C3 | 28.1° | 149.7° |
| H9C2 | C9 | C2 | C1 | 89.1° | 150.0° |
| H9C2 | C9 | C2 | C3 | 92.6° | 29.7° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.8° | 0.5° |
| C1 | C2 | C3 | H3 | 179.2° | 179.9° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C2 | C1 | C6 | C7 | 178.8° | 180.0° |
| C3 | C2 | C1 | C6 | 1.0° | 0.3° |
| C3 | C2 | C1 | H1 | 179.0° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 179.5° |
| C2 | C3 | C4 | C8 | 178.7° | 179.8° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C1 | C6 | C5 | C4 | 0.7° | 0.1° |
| C1 | C6 | C5 | C7 | 179.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.4° | 180.0° |
| C1 | C6 | C7 | N32 | 160.4° | 89.9° |
| C1 | C6 | C7 | H7C1 | 41.8° | 150.0° |
| C1 | C6 | C7 | H7C2 | 79.5° | 30.0° |
| H1 | C1 | C6 | C5 | 179.8° | 180.0° |
| H1 | C1 | C6 | C7 | 1.2° | 0.1° |
| C3 | C4 | C8 | C5 | 178.7° | 179.8° |
| C3 | C4 | C8 | N21 | 147.8° | 89.8° |
| C3 | C4 | C8 | H8C1 | 94.4° | 30.2° |
| C3 | C4 | C8 | H8C2 | 27.8° | 150.2° |
| C3 | C4 | C5 | C6 | 0.9° | 0.3° |
| C3 | C4 | C5 | H5 | 179.2° | 179.8° |
| H3 | C3 | C4 | C8 | 1.3° | 0.2° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| C4 | C8 | N21 | H8C1 | 117.8° | 120.1° |
| C4 | C8 | N21 | H8C2 | 120.0° | 119.9° |
| C4 | C8 | H8C1 | H8C2 | 118.6° | 120.0° |
| C4 | C8 | N21 | C22 | 161.7° | 180.0° |
| C4 | C8 | N21 | H21 | 18.3° | 0.1° |
| C8 | C4 | C5 | C6 | 177.9° | 180.0° |
| C8 | C4 | C5 | H5 | 2.1° | 0.0° |
| C5 | C4 | C8 | N21 | 33.4° | 89.9° |
| C5 | C4 | C8 | H8C1 | 84.4° | 150.0° |
| C5 | C4 | C8 | H8C2 | 153.4° | 30.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| N21 | C8 | H8C1 | H8C2 | 118.6° | 120.0° |
| C8 | N21 | C22 | H21 | 180.0° | 179.9° |
| C8 | N21 | C22 | O23 | 11.2° | 0.0° |
| C8 | N21 | C22 | C24 | 159.4° | 180.0° |
| H8C1 | C8 | N21 | C22 | 80.6° | 60.0° |
| H8C1 | C8 | N21 | H21 | 99.4° | 120.0° |
| H8C2 | C8 | N21 | C22 | 41.7° | 60.1° |
| H8C2 | C8 | N21 | H21 | 138.3° | 120.0° |
| N21 | C22 | O23 | C24 | 170.4° | 180.0° |
| N21 | C22 | C24 | C25 | 170.7° | 0.1° |
| N21 | C22 | C24 | C29 | 4.2° | 179.7° |
| H21 | N21 | C22 | O23 | 168.8° | 180.0° |
| H21 | N21 | C22 | C24 | 20.6° | 0.1° |
| O23 | C22 | C24 | C25 | 0.3° | 180.0° |
| O23 | C22 | C24 | C29 | 174.7° | 0.3° |
| C22 | C24 | C25 | C29 | 175.3° | 179.7° |
| C22 | C24 | C25 | C26 | 176.6° | 180.0° |
| C22 | C24 | C25 | H25 | 3.4° | 0.1° |
| C22 | C24 | C29 | C28 | 176.5° | 179.7° |
| C22 | C24 | C29 | O30 | 5.7° | 0.3° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C24 | C25 | C26 | H26 | 180.0° | 179.9° |
| C25 | C24 | C29 | C28 | 1.5° | 0.6° |
| C25 | C24 | C29 | O30 | 179.3° | 180.0° |
| C29 | C24 | C25 | C26 | 1.3° | 0.4° |
| C29 | C24 | C25 | H25 | 178.7° | 179.7° |
| C24 | C29 | C28 | C27 | 0.5° | 0.6° |
| C24 | C29 | C28 | O31 | 179.7° | 179.7° |
| C24 | C29 | C28 | O30 | 177.9° | 179.4° |
| C24 | C29 | O30 | H30 | 122.5° | 90.5° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 1.0° | 0.1° |
| C25 | C26 | C27 | H27 | 179.0° | 180.0° |
| H25 | C25 | C26 | C27 | 180.0° | 180.0° |
| H25 | C25 | C26 | H26 | 0.0° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | O31 | 179.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.8° | 0.3° |
| H26 | C26 | C27 | C28 | 179.0° | 179.9° |
| H26 | C26 | C27 | H27 | 1.1° | 0.0° |
| C27 | C28 | O31 | C29 | 179.8° | 179.7° |
| C27 | C28 | O31 | H31 | 56.3° | 90.0° |
| C27 | C28 | C29 | O30 | 178.4° | 180.0° |
| H27 | C27 | C28 | O31 | 1.0° | 0.0° |
| H27 | C27 | C28 | C29 | 179.2° | 179.7° |
| O31 | C28 | C29 | O30 | 1.8° | 0.3° |
| C29 | C28 | O31 | H31 | 123.5° | 89.7° |
| C28 | C29 | O30 | H30 | 59.7° | 90.0° |
| C5 | C6 | C7 | N32 | 18.6° | 90.0° |
| C5 | C6 | C7 | H7C1 | 137.2° | 30.1° |
| C5 | C6 | C7 | H7C2 | 101.4° | 150.1° |
| H5 | C5 | C6 | C7 | 0.3° | 0.1° |
| C6 | C7 | N32 | H7C1 | 118.6° | 120.0° |
| C6 | C7 | N32 | H7C2 | 120.0° | 120.0° |
| C6 | C7 | H7C1 | H7C2 | 119.1° | 119.9° |
| C6 | C7 | N32 | C33 | 103.0° | 180.0° |
| C6 | C7 | N32 | H32 | 77.0° | 0.0° |
| N32 | C7 | H7C1 | H7C2 | 119.1° | 120.1° |
| C7 | N32 | C33 | H32 | 180.0° | 180.0° |
| C7 | N32 | C33 | O34 | 1.0° | 0.0° |
| C7 | N32 | C33 | C35 | 169.5° | 180.0° |
| H7C1 | C7 | N32 | C33 | 138.4° | 60.0° |
| H7C1 | C7 | N32 | H32 | 41.6° | 120.0° |
| H7C2 | C7 | N32 | C33 | 17.0° | 60.0° |
| H7C2 | C7 | N32 | H32 | 163.0° | 120.0° |
| N32 | C33 | O34 | C35 | 170.7° | 179.9° |
| N32 | C33 | C35 | C36 | 169.8° | 0.1° |
| N32 | C33 | C35 | C40 | 17.2° | 179.7° |
| H32 | N32 | C33 | O34 | 179.0° | 180.0° |
| H32 | N32 | C33 | C35 | 10.5° | 0.1° |
| O34 | C33 | C35 | C36 | 20.1° | 180.0° |
| O34 | C33 | C35 | C40 | 153.0° | 0.2° |
| C33 | C35 | C36 | C40 | 173.6° | 179.8° |
| C33 | C35 | C36 | C37 | 175.9° | 180.0° |
| C33 | C35 | C36 | H36 | 4.1° | 0.1° |
| C33 | C35 | C40 | C39 | 174.7° | 179.7° |
| C33 | C35 | C40 | O41 | 4.1° | 0.2° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 1.2° | 0.0° |
| C35 | C36 | C37 | H37 | 178.8° | 179.9° |
| C36 | C35 | C40 | C39 | 1.2° | 0.5° |
| C36 | C35 | C40 | O41 | 177.6° | 180.0° |
| C40 | C35 | C36 | C37 | 2.3° | 0.2° |
| C40 | C35 | C36 | H36 | 177.7° | 179.7° |
| C35 | C40 | C39 | C38 | 1.2° | 0.6° |
| C35 | C40 | C39 | O42 | 179.9° | 179.7° |
| C35 | C40 | C39 | O41 | 178.9° | 179.4° |
| C35 | C40 | O41 | H41 | 106.3° | 90.6° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 1.2° | 0.0° |
| C36 | C37 | C38 | H38 | 178.8° | 180.0° |
| H36 | C36 | C37 | C38 | 178.8° | 180.0° |
| H36 | C36 | C37 | H37 | 1.2° | 0.1° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| C37 | C38 | C39 | O42 | 179.0° | 180.0° |
| C37 | C38 | C39 | C40 | 2.4° | 0.3° |
| H37 | C37 | C38 | C39 | 178.8° | 179.9° |
| H37 | C37 | C38 | H38 | 1.2° | 0.1° |
| C38 | C39 | O42 | C40 | 178.6° | 179.7° |
| C38 | C39 | O42 | H42 | 74.5° | 90.0° |
| C38 | C39 | C40 | O41 | 179.8° | 180.0° |
| H38 | C38 | C39 | O42 | 1.0° | 0.0° |
| H38 | C38 | C39 | C40 | 177.6° | 179.7° |
| O42 | C39 | C40 | O41 | 1.2° | 0.3° |
| C40 | C39 | O42 | H42 | 106.9° | 89.7° |
| C39 | C40 | O41 | H41 | 72.7° | 90.0° |
