V58
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | N19 | sing | 1.47Å | 1.52Å | |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| N14 | C15 | sing | 1.40Å | 1.46Å | |
| N14 | C13 | sing | 1.38Å | 1.45Å | |
| C26 | C22 | sing | 1.53Å | 1.46Å | |
| C22 | C21 | sing | 1.53Å | 1.46Å | |
| C22 | N23 | sing | 1.47Å | 1.46Å | |
| C15 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | N19 | sing | 1.47Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C13 | N32 | doub | 1.32Å | 1.32Å | Aromatic |
| C13 | N12 | sing | 1.33Å | 1.32Å | Aromatic |
| N32 | C33 | sing | 1.33Å | 1.32Å | Aromatic |
| C18 | N19 | sing | 1.40Å | 1.46Å | |
| C18 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | N36 | sing | 1.36Å | 1.33Å | Aromatic |
| C35 | C34 | doub | 1.36Å | 1.39Å | Aromatic |
| C24 | N23 | sing | 1.47Å | 1.46Å | |
| N12 | C11 | doub | 1.32Å | 1.32Å | Aromatic |
| N36 | C37 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | O30 | sing | 1.36Å | 1.40Å | |
| C33 | C34 | sing | 1.48Å | 1.53Å | |
| C33 | C10 | doub | 1.42Å | 1.40Å | Aromatic |
| C34 | C38 | sing | 1.47Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| N23 | C25 | sing | 1.47Å | 1.46Å | |
| C37 | C38 | doub | 1.40Å | 1.37Å | Aromatic |
| C37 | C42 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C02 | sing | 1.47Å | 1.53Å | |
| C38 | C39 | sing | 1.39Å | 1.42Å | Aromatic |
| O30 | C31 | sing | 1.43Å | 1.40Å | |
| C42 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | O03 | sing | 1.35Å | 1.40Å | |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C40 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| O03 | C04 | sing | 1.36Å | 1.40Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.08Å | 1.08Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C07 | H15 | sing | 1.08Å | 1.08Å | |
| C08 | H16 | sing | 1.08Å | 1.08Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| C39 | H29 | sing | 1.08Å | 1.08Å | |
| C40 | H30 | sing | 1.08Å | 1.08Å | |
| C41 | H31 | sing | 1.08Å | 1.08Å | |
| C42 | H32 | sing | 1.08Å | 1.08Å | |
| N14 | H33 | sing | 0.97Å | 1.00Å | |
| N36 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 120.2° | 120.1° |
| C16 | C17 | C18 | 119.5° | 120.1° |
| C16 | C17 | H1 | 120.2° | 119.9° |
| C17 | C16 | H19 | 119.9° | 120.0° |
| C16 | C15 | N14 | 122.4° | 120.1° |
| C16 | C15 | C29 | 119.9° | 120.0° |
| C15 | C16 | H19 | 119.9° | 120.0° |
| C26 | C27 | N19 | 110.8° | 109.5° |
| C27 | C26 | C22 | 116.5° | 109.3° |
| C27 | C26 | H10 | 107.7° | 109.5° |
| C27 | C26 | H11 | 107.7° | 109.5° |
| C26 | C27 | H23 | 109.2° | 109.5° |
| C26 | C27 | H24 | 109.1° | 109.5° |
| C27 | N19 | C20 | 107.7° | 111.2° |
| C27 | N19 | C18 | 111.1° | 111.0° |
| N19 | C27 | H23 | 109.1° | 109.4° |
| N19 | C27 | H24 | 109.1° | 109.4° |
| C17 | C18 | N19 | 121.8° | 120.0° |
| C17 | C18 | C28 | 120.1° | 120.0° |
| C18 | C17 | H1 | 120.2° | 120.0° |
| C15 | N14 | C13 | 125.8° | 119.9° |
| N14 | C15 | C29 | 117.6° | 120.0° |
| C15 | N14 | H33 | 117.1° | 120.0° |
| N14 | C13 | N32 | 121.1° | 118.9° |
| N14 | C13 | N12 | 117.8° | 119.0° |
| C13 | N14 | H33 | 117.1° | 120.1° |
| C26 | C22 | C21 | 116.7° | 109.2° |
| C26 | C22 | N23 | 106.8° | 109.5° |
| C26 | C22 | H6 | 108.7° | 109.6° |
| C22 | C26 | H10 | 107.7° | 109.5° |
| C22 | C26 | H11 | 107.7° | 109.5° |
| C21 | C22 | N23 | 107.2° | 109.5° |
| C22 | C21 | C20 | 116.6° | 109.3° |
| C22 | C21 | H4 | 107.7° | 109.5° |
| C22 | C21 | H5 | 107.7° | 109.6° |
| C21 | C22 | H6 | 108.7° | 109.5° |
| C22 | N23 | C24 | 111.9° | 111.0° |
| C22 | N23 | C25 | 111.5° | 111.0° |
| N23 | C22 | H6 | 108.6° | 109.5° |
| C15 | C29 | C28 | 119.9° | 119.9° |
| C15 | C29 | O30 | 119.2° | 120.0° |
| N19 | C20 | C21 | 110.2° | 109.5° |
| C20 | N19 | C18 | 113.0° | 111.0° |
| N19 | C20 | H2 | 109.3° | 109.5° |
| N19 | C20 | H3 | 109.3° | 109.5° |
| C21 | C20 | H2 | 109.3° | 109.4° |
| C21 | C20 | H3 | 109.3° | 109.4° |
| C20 | C21 | H4 | 107.7° | 109.5° |
| C20 | C21 | H5 | 107.7° | 109.5° |
| N32 | C13 | N12 | 121.2° | 122.1° |
| C13 | N32 | C33 | 122.2° | 120.7° |
| C13 | N12 | C11 | 121.1° | 121.2° |
| N32 | C33 | C34 | 117.3° | 120.6° |
| N32 | C33 | C10 | 117.6° | 118.7° |
| N19 | C18 | C28 | 118.0° | 120.0° |
| C18 | C28 | C29 | 120.2° | 120.0° |
| C18 | C28 | H12 | 119.9° | 120.0° |
| N36 | C35 | C34 | 107.9° | 109.8° |
| C35 | N36 | C37 | 110.0° | 110.3° |
| N36 | C35 | H28 | 126.1° | 125.1° |
| C35 | N36 | H35 | 125.0° | 124.8° |
| C35 | C34 | C33 | 127.5° | 126.7° |
| C35 | C34 | C38 | 107.3° | 106.6° |
| C34 | C35 | H28 | 126.0° | 125.1° |
| C24 | N23 | C25 | 110.0° | 111.0° |
| N23 | C24 | H7 | 109.5° | 109.4° |
| N23 | C24 | H8 | 109.5° | 109.5° |
| N23 | C24 | H9 | 109.5° | 109.5° |
| N12 | C11 | C10 | 119.1° | 119.1° |
| N12 | C11 | H18 | 120.5° | 120.4° |
| N36 | C37 | C38 | 108.6° | 107.4° |
| N36 | C37 | C42 | 131.3° | 133.2° |
| C37 | N36 | H35 | 125.0° | 124.8° |
| C28 | C29 | O30 | 120.9° | 120.1° |
| C29 | C28 | H12 | 119.9° | 120.0° |
| C29 | O30 | C31 | 115.2° | 117.0° |
| C34 | C33 | C10 | 125.1° | 120.6° |
| C33 | C34 | C38 | 125.1° | 126.7° |
| C33 | C10 | C11 | 118.8° | 118.1° |
| C33 | C10 | C02 | 122.8° | 121.0° |
| C34 | C38 | C37 | 106.1° | 105.9° |
| C34 | C38 | C39 | 134.3° | 134.0° |
| C11 | C10 | C02 | 118.3° | 120.9° |
| C10 | C11 | H18 | 120.5° | 120.5° |
| O01 | C02 | C10 | 121.0° | 120.0° |
| O01 | C02 | O03 | 121.0° | 120.0° |
| N23 | C25 | H20 | 109.5° | 109.5° |
| N23 | C25 | H21 | 109.5° | 109.5° |
| N23 | C25 | H22 | 109.5° | 109.5° |
| C38 | C37 | C42 | 120.1° | 119.3° |
| C37 | C38 | C39 | 119.5° | 120.1° |
| C37 | C42 | C41 | 120.3° | 120.0° |
| C37 | C42 | H32 | 119.9° | 120.1° |
| C10 | C02 | O03 | 118.0° | 120.0° |
| C38 | C39 | C40 | 120.2° | 119.6° |
| C38 | C39 | H29 | 119.9° | 120.2° |
| O30 | C31 | H25 | 109.5° | 109.5° |
| O30 | C31 | H26 | 109.5° | 109.5° |
| O30 | C31 | H27 | 109.5° | 109.5° |
| C42 | C41 | C40 | 119.5° | 120.6° |
| C42 | C41 | H31 | 120.2° | 119.7° |
| C41 | C42 | H32 | 119.8° | 120.0° |
| C02 | O03 | C04 | 117.4° | 117.1° |
| C39 | C40 | C41 | 120.3° | 120.3° |
| C40 | C39 | H29 | 119.9° | 120.2° |
| C39 | C40 | H30 | 119.8° | 119.9° |
| C41 | C40 | H30 | 119.9° | 119.8° |
| C40 | C41 | H31 | 120.2° | 119.7° |
| C08 | C09 | C04 | 120.0° | 120.0° |
| C09 | C08 | C07 | 120.0° | 120.1° |
| C09 | C08 | H16 | 120.0° | 120.0° |
| C08 | C09 | H17 | 120.0° | 120.1° |
| C09 | C04 | O03 | 120.1° | 120.1° |
| C09 | C04 | C05 | 120.2° | 119.9° |
| C04 | C09 | H17 | 120.0° | 120.0° |
| C08 | C07 | C06 | 119.9° | 120.1° |
| C08 | C07 | H15 | 120.0° | 120.0° |
| C07 | C08 | H16 | 120.0° | 120.0° |
| O03 | C04 | C05 | 119.7° | 120.0° |
| C04 | C05 | C06 | 119.7° | 119.9° |
| C04 | C05 | H13 | 120.1° | 120.0° |
| C07 | C06 | C05 | 120.2° | 120.1° |
| C07 | C06 | H14 | 119.9° | 120.0° |
| C06 | C07 | H15 | 120.0° | 119.9° |
| C06 | C05 | H13 | 120.1° | 120.1° |
| C05 | C06 | H14 | 119.9° | 119.9° |
| H2 | C20 | H3 | 109.5° | 109.4° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H7 | C24 | H9 | 109.4° | 109.5° |
| H8 | C24 | H9 | 109.4° | 109.4° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.4° | 109.5° |
| H20 | C25 | H22 | 109.4° | 109.4° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H25 | C31 | H26 | 109.5° | 109.5° |
| H25 | C31 | H27 | 109.5° | 109.5° |
| H26 | C31 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H19 | 180.0° | 179.9° |
| C16 | C17 | C18 | H1 | 180.0° | 179.9° |
| C17 | C16 | C15 | N14 | 178.9° | 179.7° |
| C17 | C16 | C15 | C29 | 0.8° | 0.0° |
| C16 | C17 | C18 | N19 | 179.7° | 179.9° |
| C16 | C17 | C18 | C28 | 0.0° | 0.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C15 | N14 | C29 | 178.2° | 179.8° |
| C16 | C15 | N14 | C13 | 50.7° | 22.3° |
| C16 | C15 | C29 | C28 | 1.0° | 0.0° |
| C16 | C15 | C29 | O30 | 179.8° | 180.0° |
| C15 | C16 | C17 | H1 | 179.7° | 179.9° |
| C16 | C15 | N14 | H33 | 129.3° | 157.7° |
| C26 | C27 | N19 | H23 | 120.2° | 120.0° |
| C26 | C27 | N19 | H24 | 120.2° | 120.0° |
| C27 | C26 | C22 | H10 | 121.0° | 120.0° |
| C27 | C26 | C22 | H11 | 121.0° | 120.0° |
| C27 | C26 | C22 | C21 | 33.1° | 57.7° |
| C27 | C26 | C22 | N23 | 152.9° | 177.5° |
| C26 | C27 | N19 | C20 | 60.6° | 61.7° |
| C26 | C27 | N19 | C18 | 175.3° | 174.2° |
| C27 | C26 | C22 | H6 | 90.2° | 62.3° |
| C27 | C26 | H10 | H11 | 116.9° | 120.1° |
| C26 | C27 | H23 | H24 | 119.4° | 120.0° |
| C27 | N19 | C18 | C17 | 111.0° | 124.2° |
| N19 | C27 | C26 | C22 | 47.4° | 59.2° |
| C27 | N19 | C20 | C18 | 123.0° | 124.1° |
| C27 | N19 | C20 | C21 | 60.8° | 61.7° |
| C27 | N19 | C18 | C28 | 69.3° | 55.8° |
| C27 | N19 | C20 | H2 | 59.3° | 178.3° |
| C27 | N19 | C20 | H3 | 179.1° | 58.3° |
| N19 | C27 | C26 | H10 | 73.6° | 179.1° |
| N19 | C27 | C26 | H11 | 168.4° | 60.8° |
| N19 | C27 | H23 | H24 | 119.4° | 119.9° |
| C17 | C18 | N19 | C20 | 10.1° | 0.0° |
| C17 | C18 | N19 | C28 | 179.8° | 180.0° |
| C17 | C18 | C28 | C29 | 0.1° | 0.0° |
| C17 | C18 | C28 | H12 | 179.9° | 180.0° |
| C18 | C17 | C16 | H19 | 179.7° | 180.0° |
| C15 | N14 | C13 | H33 | 180.0° | 180.0° |
| C15 | N14 | C13 | N32 | 25.0° | 174.1° |
| C15 | N14 | C13 | N12 | 155.5° | 6.1° |
| N14 | C15 | C29 | C28 | 179.2° | 179.7° |
| N14 | C15 | C29 | O30 | 1.6° | 0.2° |
| N14 | C15 | C16 | H19 | 1.1° | 0.2° |
| C13 | N14 | C15 | C29 | 131.2° | 157.5° |
| N14 | C13 | N32 | N12 | 179.4° | 179.7° |
| N14 | C13 | N32 | C33 | 179.9° | 180.0° |
| N14 | C13 | N12 | C11 | 179.2° | 180.0° |
| C26 | C22 | C21 | N23 | 119.5° | 119.9° |
| C26 | C22 | C21 | H6 | 123.3° | 120.0° |
| C26 | C22 | N23 | H6 | 117.1° | 120.2° |
| C26 | C22 | C21 | C20 | 33.6° | 57.6° |
| C26 | C22 | N23 | C24 | 55.8° | 60.3° |
| C26 | C22 | N23 | C25 | 179.5° | 175.7° |
| C26 | C22 | C21 | H4 | 87.4° | 177.6° |
| C26 | C22 | C21 | H5 | 154.6° | 62.3° |
| C22 | C26 | H10 | H11 | 116.8° | 120.1° |
| C22 | C26 | C27 | H23 | 72.8° | 60.8° |
| C22 | C26 | C27 | H24 | 167.6° | 179.2° |
| C21 | C22 | N23 | H6 | 117.2° | 120.1° |
| C22 | C21 | C20 | N19 | 48.1° | 59.2° |
| C22 | C21 | C20 | H4 | 121.0° | 120.0° |
| C22 | C21 | C20 | H5 | 121.0° | 120.0° |
| C21 | C22 | N23 | C24 | 178.5° | 180.0° |
| C21 | C22 | N23 | C25 | 54.8° | 56.1° |
| C22 | C21 | C20 | H2 | 72.0° | 179.2° |
| C22 | C21 | C20 | H3 | 168.2° | 60.9° |
| C22 | C21 | H4 | H5 | 116.8° | 120.2° |
| C21 | C22 | C26 | H10 | 87.9° | 177.6° |
| C21 | C22 | C26 | H11 | 154.1° | 62.3° |
| N23 | C22 | C21 | C20 | 153.2° | 177.6° |
| C22 | N23 | C24 | C25 | 124.5° | 124.0° |
| N23 | C22 | C21 | H4 | 32.2° | 62.5° |
| N23 | C22 | C21 | H5 | 85.8° | 57.6° |
| C22 | N23 | C24 | H7 | 180.0° | 60.0° |
| C22 | N23 | C24 | H8 | 60.0° | 179.9° |
| C22 | N23 | C24 | H9 | 60.0° | 60.0° |
| N23 | C22 | C26 | H10 | 31.8° | 62.5° |
| N23 | C22 | C26 | H11 | 86.1° | 57.6° |
| C22 | N23 | C25 | H20 | 180.0° | 60.0° |
| C22 | N23 | C25 | H21 | 60.0° | 180.0° |
| C22 | N23 | C25 | H22 | 60.0° | 60.0° |
| C15 | C29 | C28 | C18 | 0.6° | 0.0° |
| C15 | C29 | C28 | O30 | 179.2° | 180.0° |
| C15 | C29 | O30 | C31 | 166.9° | 180.0° |
| C15 | C29 | C28 | H12 | 179.4° | 180.0° |
| C29 | C15 | C16 | H19 | 179.2° | 180.0° |
| C29 | C15 | N14 | H33 | 48.8° | 22.5° |
| N19 | C20 | C21 | H2 | 120.1° | 120.0° |
| N19 | C20 | C21 | H3 | 120.1° | 120.1° |
| C20 | N19 | C18 | C28 | 169.7° | 179.9° |
| N19 | C20 | H2 | H3 | 119.7° | 120.0° |
| N19 | C20 | C21 | H4 | 72.9° | 179.2° |
| N19 | C20 | C21 | H5 | 169.1° | 60.8° |
| C20 | N19 | C27 | H23 | 59.6° | 58.3° |
| C20 | N19 | C27 | H24 | 179.2° | 178.2° |
| C21 | C20 | N19 | C18 | 176.2° | 174.2° |
| C21 | C20 | H2 | H3 | 119.6° | 119.9° |
| C20 | C21 | H4 | H5 | 116.8° | 120.0° |
| C20 | C21 | C22 | H6 | 89.6° | 62.3° |
| N32 | C13 | N12 | C11 | 0.2° | 0.3° |
| C13 | N32 | C33 | C34 | 179.2° | 180.0° |
| C13 | N32 | C33 | C10 | 1.1° | 0.0° |
| N32 | C13 | N14 | H33 | 154.9° | 5.9° |
| N12 | C13 | N32 | C33 | 0.5° | 0.2° |
| C13 | N12 | C11 | C10 | 0.2° | 0.0° |
| C13 | N12 | C11 | H18 | 179.8° | 180.0° |
| N12 | C13 | N14 | H33 | 24.5° | 173.9° |
| N32 | C33 | C34 | C35 | 144.6° | 96.5° |
| N32 | C33 | C34 | C10 | 177.9° | 179.9° |
| N32 | C33 | C34 | C38 | 32.2° | 83.2° |
| N32 | C33 | C10 | C11 | 1.1° | 0.3° |
| N32 | C33 | C10 | C02 | 179.4° | 180.0° |
| N19 | C18 | C28 | C29 | 179.8° | 179.9° |
| N19 | C18 | C17 | H1 | 0.3° | 0.0° |
| C18 | N19 | C20 | H2 | 63.6° | 54.2° |
| C18 | N19 | C20 | H3 | 56.1° | 65.8° |
| N19 | C18 | C28 | H12 | 0.2° | 0.0° |
| C18 | N19 | C27 | H23 | 64.5° | 65.8° |
| C18 | N19 | C27 | H24 | 55.1° | 54.2° |
| C18 | C28 | C29 | H12 | 180.0° | 180.0° |
| C18 | C28 | C29 | O30 | 179.8° | 180.0° |
| C28 | C18 | C17 | H1 | 179.9° | 179.9° |
| N36 | C35 | C34 | H28 | 180.0° | 179.9° |
| C35 | N36 | C37 | H35 | 180.0° | 179.9° |
| N36 | C35 | C34 | C33 | 178.7° | 180.0° |
| N36 | C35 | C34 | C38 | 1.4° | 0.2° |
| C35 | N36 | C37 | C38 | 0.5° | 0.0° |
| C35 | N36 | C37 | C42 | 179.9° | 179.8° |
| C34 | C35 | N36 | C37 | 1.1° | 0.1° |
| C35 | C34 | C33 | C38 | 176.8° | 179.7° |
| C35 | C34 | C33 | C10 | 33.3° | 83.5° |
| C35 | C34 | C38 | C37 | 1.0° | 0.2° |
| C35 | C34 | C38 | C39 | 179.5° | 179.7° |
| C34 | C35 | N36 | H35 | 178.8° | 180.0° |
| C24 | N23 | C22 | H6 | 61.2° | 59.9° |
| N23 | C24 | H7 | H8 | 120.0° | 120.0° |
| N23 | C24 | H7 | H9 | 120.0° | 120.0° |
| N23 | C24 | H8 | H9 | 120.0° | 120.0° |
| C24 | N23 | C25 | H20 | 55.3° | 176.0° |
| C24 | N23 | C25 | H21 | 64.7° | 56.0° |
| C24 | N23 | C25 | H22 | 175.3° | 64.0° |
| N12 | C11 | C10 | C33 | 0.5° | 0.2° |
| N12 | C11 | C10 | H18 | 180.0° | 180.0° |
| N12 | C11 | C10 | C02 | 178.8° | 180.0° |
| N36 | C37 | C38 | C34 | 0.4° | 0.2° |
| N36 | C37 | C38 | C42 | 179.7° | 179.8° |
| N36 | C37 | C38 | C39 | 179.9° | 179.8° |
| N36 | C37 | C42 | C41 | 179.7° | 179.8° |
| C37 | N36 | C35 | H28 | 178.9° | 179.9° |
| N36 | C37 | C42 | H32 | 0.3° | 0.3° |
| C28 | C29 | O30 | C31 | 13.9° | 0.0° |
| O30 | C29 | C28 | H12 | 0.2° | 0.0° |
| C29 | O30 | C31 | H25 | 180.0° | 60.0° |
| C29 | O30 | C31 | H26 | 60.0° | 60.0° |
| C29 | O30 | C31 | H27 | 60.0° | 180.0° |
| C34 | C33 | C10 | C11 | 179.0° | 179.8° |
| C33 | C34 | C38 | C37 | 178.4° | 180.0° |
| C34 | C33 | C10 | C02 | 2.7° | 0.0° |
| C33 | C34 | C38 | C39 | 2.1° | 0.0° |
| C33 | C34 | C35 | H28 | 1.4° | 0.1° |
| C10 | C33 | C34 | C38 | 149.8° | 96.8° |
| C33 | C10 | C11 | C02 | 178.3° | 179.7° |
| C33 | C10 | C02 | O01 | 136.7° | 5.7° |
| C33 | C10 | C02 | O03 | 44.6° | 174.3° |
| C33 | C10 | C11 | H18 | 179.5° | 179.8° |
| C34 | C38 | C37 | C39 | 179.6° | 180.0° |
| C34 | C38 | C37 | C42 | 179.3° | 180.0° |
| C34 | C38 | C39 | C40 | 179.3° | 180.0° |
| C38 | C34 | C35 | H28 | 178.7° | 179.8° |
| C34 | C38 | C39 | H29 | 0.7° | 0.0° |
| C11 | C10 | C02 | O01 | 45.0° | 174.0° |
| C11 | C10 | C02 | O03 | 133.7° | 6.0° |
| O01 | C02 | C10 | O03 | 178.7° | 180.0° |
| O01 | C02 | O03 | C04 | 2.7° | 4.9° |
| C25 | N23 | C22 | H6 | 62.4° | 64.0° |
| C25 | N23 | C24 | H7 | 55.5° | 63.9° |
| C25 | N23 | C24 | H8 | 175.6° | 56.1° |
| C25 | N23 | C24 | H9 | 64.5° | 176.0° |
| N23 | C25 | H20 | H21 | 120.0° | 120.0° |
| N23 | C25 | H20 | H22 | 120.0° | 120.1° |
| N23 | C25 | H21 | H22 | 120.0° | 120.1° |
| C38 | C37 | C42 | C41 | 0.1° | 0.0° |
| C37 | C38 | C39 | C40 | 0.1° | 0.0° |
| C37 | C38 | C39 | H29 | 179.9° | 180.0° |
| C38 | C37 | C42 | H32 | 179.9° | 180.0° |
| C38 | C37 | N36 | H35 | 179.5° | 179.9° |
| C42 | C37 | C38 | C39 | 0.2° | 0.0° |
| C37 | C42 | C41 | H32 | 180.0° | 179.9° |
| C37 | C42 | C41 | C40 | 0.1° | 0.0° |
| C37 | C42 | C41 | H31 | 179.9° | 180.0° |
| C42 | C37 | N36 | H35 | 0.2° | 0.1° |
| C10 | C02 | O03 | C04 | 178.5° | 175.1° |
| C02 | C10 | C11 | H18 | 1.2° | 0.0° |
| C38 | C39 | C40 | H29 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.1° | 0.0° |
| C38 | C39 | C40 | H30 | 179.9° | 180.0° |
| O30 | C31 | H25 | H26 | 120.0° | 120.1° |
| O30 | C31 | H25 | H27 | 120.0° | 120.0° |
| O30 | C31 | H26 | H27 | 120.0° | 120.0° |
| C42 | C41 | C40 | C39 | 0.2° | 0.0° |
| C42 | C41 | C40 | H31 | 180.0° | 180.0° |
| C42 | C41 | C40 | H30 | 179.7° | 180.0° |
| C02 | O03 | C04 | C09 | 87.0° | 102.4° |
| C02 | O03 | C04 | C05 | 94.5° | 77.8° |
| C39 | C40 | C41 | H30 | 180.0° | 179.9° |
| C39 | C40 | C41 | H31 | 179.8° | 180.0° |
| C41 | C40 | C39 | H29 | 179.9° | 179.9° |
| C40 | C41 | C42 | H32 | 179.8° | 179.9° |
| C08 | C09 | C04 | H17 | 180.0° | 179.9° |
| C09 | C08 | C07 | H16 | 180.0° | 179.9° |
| C08 | C09 | C04 | O03 | 179.0° | 179.8° |
| C08 | C09 | C04 | C05 | 0.6° | 0.0° |
| C09 | C08 | C07 | C06 | 0.0° | 0.2° |
| C09 | C08 | C07 | H15 | 180.0° | 180.0° |
| C04 | C09 | C08 | C07 | 0.3° | 0.1° |
| C09 | C04 | O03 | C05 | 178.5° | 179.8° |
| C09 | C04 | C05 | C06 | 0.5° | 0.0° |
| C09 | C04 | C05 | H13 | 179.5° | 180.0° |
| C04 | C09 | C08 | H16 | 179.6° | 180.0° |
| C08 | C07 | C06 | H15 | 180.0° | 179.8° |
| C08 | C07 | C06 | C05 | 0.0° | 0.1° |
| C08 | C07 | C06 | H14 | 180.0° | 179.9° |
| C07 | C08 | C09 | H17 | 179.7° | 180.0° |
| O03 | C04 | C05 | C06 | 179.0° | 179.8° |
| O03 | C04 | C05 | H13 | 1.0° | 0.3° |
| O03 | C04 | C09 | H17 | 1.0° | 0.3° |
| C04 | C05 | C06 | C07 | 0.2° | 0.0° |
| C04 | C05 | C06 | H13 | 180.0° | 180.0° |
| C04 | C05 | C06 | H14 | 179.8° | 180.0° |
| C05 | C04 | C09 | H17 | 179.4° | 180.0° |
| C07 | C06 | C05 | H14 | 180.0° | 180.0° |
| C07 | C06 | C05 | H13 | 179.8° | 180.0° |
| C06 | C07 | C08 | H16 | 180.0° | 179.9° |
| C05 | C06 | C07 | H15 | 180.0° | 180.0° |
| H1 | C17 | C16 | H19 | 0.3° | 0.1° |
| H2 | C20 | C21 | H4 | 167.0° | 60.8° |
| H2 | C20 | C21 | H5 | 49.0° | 59.2° |
| H3 | C20 | C21 | H4 | 47.2° | 59.1° |
| H3 | C20 | C21 | H5 | 70.8° | 179.1° |
| H4 | C21 | C22 | H6 | 149.3° | 57.6° |
| H5 | C21 | C22 | H6 | 31.4° | 177.7° |
| H6 | C22 | C26 | H10 | 148.8° | 57.7° |
| H6 | C22 | C26 | H11 | 30.9° | 177.7° |
| H7 | C24 | H8 | H9 | 120.0° | 120.1° |
| H10 | C26 | C27 | H23 | 166.2° | 59.2° |
| H10 | C26 | C27 | H24 | 46.6° | 60.8° |
| H11 | C26 | C27 | H23 | 48.2° | 179.2° |
| H11 | C26 | C27 | H24 | 71.4° | 59.2° |
| H13 | C05 | C06 | H14 | 0.2° | 0.0° |
| H14 | C06 | C07 | H15 | 0.0° | 0.1° |
| H15 | C07 | C08 | H16 | 0.0° | 0.1° |
| H16 | C08 | C09 | H17 | 0.3° | 0.0° |
| H20 | C25 | H21 | H22 | 119.9° | 119.9° |
| H25 | C31 | H26 | H27 | 120.0° | 120.0° |
| H28 | C35 | N36 | H35 | 1.2° | 0.0° |
| H29 | C39 | C40 | H30 | 0.1° | 0.0° |
| H30 | C40 | C41 | H31 | 0.3° | 0.0° |
| H31 | C41 | C42 | H32 | 0.1° | 0.1° |
