3JX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C17 | sing | 1.53Å | 1.56Å | |
| O37 | N36 | doub | 1.22Å | 1.24Å | |
| N36 | C33 | sing | 1.48Å | 1.42Å | |
| N36 | O38 | sing | 1.22Å | 1.28Å | |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.47Å | |
| C18 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | N16 | sing | 1.46Å | 1.45Å | |
| N16 | C14 | sing | 1.35Å | 1.46Å | |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | O15 | doub | 1.22Å | 1.19Å | |
| C14 | C01 | sing | 1.48Å | 1.53Å | |
| C06 | C01 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.49Å | |
| C05 | C09 | sing | 1.47Å | 1.41Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.39Å | Aromatic |
| C02 | C03 | doub | 1.36Å | 1.38Å | Aromatic |
| C09 | C08 | doub | 1.34Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | N07 | sing | 1.37Å | 1.34Å | Aromatic |
| C08 | N07 | sing | 1.37Å | 1.35Å | Aromatic |
| C08 | C11 | sing | 1.51Å | 1.56Å | |
| N07 | C12 | sing | 1.47Å | 1.46Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| O40 | C39 | doub | 1.22Å | 1.26Å | |
| C22 | C25 | sing | 1.48Å | 1.56Å | |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
| C39 | C30 | sing | 1.47Å | 1.48Å | |
| C39 | O41 | sing | 1.35Å | 1.26Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| N16 | H12 | sing | 0.97Å | 1.00Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| C32 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| O41 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C32 | C33 | 119.6° | 120.0° |
| C32 | C31 | C18 | 118.8° | 120.0° |
| C32 | C31 | H25 | 120.6° | 120.0° |
| C31 | C32 | H26 | 120.2° | 120.0° |
| C32 | C33 | N36 | 119.7° | 120.0° |
| C32 | C33 | C34 | 121.4° | 120.0° |
| C33 | C32 | H26 | 120.2° | 120.0° |
| C31 | C18 | C17 | 120.7° | 120.0° |
| C31 | C18 | C35 | 121.3° | 120.0° |
| C18 | C31 | H25 | 120.6° | 120.0° |
| C19 | C17 | C18 | 114.7° | 109.4° |
| C19 | C17 | N16 | 117.1° | 109.5° |
| C19 | C17 | H13 | 108.1° | 109.5° |
| C17 | C19 | H14 | 109.5° | 109.5° |
| C17 | C19 | H15 | 109.5° | 109.5° |
| C17 | C19 | H16 | 109.5° | 109.4° |
| O37 | N36 | C33 | 118.8° | 120.0° |
| O37 | N36 | O38 | 121.1° | 120.0° |
| C33 | N36 | O38 | 120.1° | 120.0° |
| N36 | C33 | C34 | 118.9° | 120.0° |
| C33 | C34 | C35 | 119.0° | 120.0° |
| C33 | C34 | H27 | 120.5° | 120.1° |
| C17 | C18 | C35 | 117.9° | 120.0° |
| C18 | C17 | N16 | 97.7° | 109.5° |
| C18 | C17 | H13 | 109.2° | 109.4° |
| C18 | C35 | C34 | 119.9° | 120.0° |
| C18 | C35 | H28 | 120.1° | 120.0° |
| C17 | N16 | C14 | 129.8° | 120.0° |
| C17 | N16 | H12 | 115.1° | 120.0° |
| N16 | C17 | H13 | 109.5° | 109.5° |
| N16 | C14 | O15 | 115.7° | 120.0° |
| N16 | C14 | C01 | 129.0° | 120.0° |
| C14 | N16 | H12 | 115.1° | 120.0° |
| C35 | C34 | H27 | 120.5° | 120.0° |
| C34 | C35 | H28 | 120.1° | 120.0° |
| O15 | C14 | C01 | 115.1° | 120.0° |
| C14 | C01 | C06 | 125.2° | 120.0° |
| C14 | C01 | C02 | 115.1° | 120.0° |
| C01 | C06 | C05 | 119.7° | 119.4° |
| C06 | C01 | C02 | 119.5° | 120.1° |
| C01 | C06 | H3 | 120.1° | 120.3° |
| C06 | C05 | C09 | 134.6° | 133.9° |
| C06 | C05 | C04 | 119.7° | 120.0° |
| C05 | C06 | H3 | 120.2° | 120.3° |
| C01 | C02 | C03 | 121.0° | 120.7° |
| C01 | C02 | H1 | 119.5° | 119.7° |
| C10 | C09 | C05 | 126.8° | 126.6° |
| C10 | C09 | C08 | 126.3° | 126.5° |
| C09 | C10 | H4 | 109.5° | 109.4° |
| C09 | C10 | H5 | 109.5° | 109.5° |
| C09 | C10 | H6 | 109.4° | 109.5° |
| C09 | C05 | C04 | 105.8° | 106.1° |
| C05 | C09 | C08 | 106.9° | 106.9° |
| C05 | C04 | C03 | 120.6° | 119.6° |
| C05 | C04 | N07 | 109.5° | 107.1° |
| C02 | C03 | C04 | 119.5° | 120.2° |
| C03 | C02 | H1 | 119.5° | 119.6° |
| C02 | C03 | H2 | 120.3° | 119.9° |
| C09 | C08 | N07 | 108.4° | 109.9° |
| C09 | C08 | C11 | 125.9° | 125.0° |
| C03 | C04 | N07 | 129.9° | 133.3° |
| C04 | C03 | H2 | 120.3° | 119.9° |
| C04 | N07 | C08 | 109.4° | 110.1° |
| C04 | N07 | C12 | 123.5° | 125.0° |
| N07 | C08 | C11 | 125.8° | 125.0° |
| C08 | N07 | C12 | 127.1° | 125.0° |
| C08 | C11 | H7 | 109.5° | 109.5° |
| C08 | C11 | H8 | 109.5° | 109.4° |
| C08 | C11 | H9 | 109.5° | 109.5° |
| N07 | C12 | C13 | 112.2° | 109.5° |
| N07 | C12 | H10 | 108.8° | 109.5° |
| N07 | C12 | H11 | 108.8° | 109.5° |
| C21 | C20 | C13 | 120.3° | 120.1° |
| C20 | C21 | C22 | 120.1° | 119.9° |
| C21 | C20 | H17 | 119.8° | 119.9° |
| C20 | C21 | H18 | 120.0° | 120.1° |
| C20 | C13 | C12 | 121.1° | 119.9° |
| C20 | C13 | C24 | 119.7° | 120.3° |
| C13 | C20 | H17 | 119.8° | 119.9° |
| C12 | C13 | C24 | 119.3° | 119.9° |
| C13 | C12 | H10 | 108.8° | 109.5° |
| C13 | C12 | H11 | 108.8° | 109.5° |
| C21 | C22 | C25 | 121.3° | 120.1° |
| C21 | C22 | C23 | 119.6° | 119.7° |
| C22 | C21 | H18 | 120.0° | 120.1° |
| C13 | C24 | C23 | 119.9° | 120.2° |
| C13 | C24 | H20 | 120.1° | 120.0° |
| O40 | C39 | C30 | 119.8° | 120.0° |
| O40 | C39 | O41 | 119.4° | 120.0° |
| C25 | C22 | C23 | 119.1° | 120.1° |
| C22 | C25 | C26 | 119.2° | 120.2° |
| C22 | C25 | C30 | 121.0° | 120.2° |
| C22 | C23 | C24 | 120.4° | 119.8° |
| C22 | C23 | H19 | 119.8° | 120.0° |
| C24 | C23 | H19 | 119.8° | 120.1° |
| C23 | C24 | H20 | 120.1° | 119.9° |
| C26 | C25 | C30 | 119.8° | 119.6° |
| C25 | C26 | C27 | 120.3° | 120.0° |
| C25 | C26 | H21 | 119.9° | 120.0° |
| C25 | C30 | C39 | 121.4° | 120.2° |
| C25 | C30 | C29 | 119.7° | 119.6° |
| C30 | C39 | O41 | 120.7° | 120.0° |
| C39 | C30 | C29 | 119.0° | 120.2° |
| C39 | O41 | H29 | 109.5° | 117.0° |
| C26 | C27 | C28 | 119.9° | 120.4° |
| C27 | C26 | H21 | 119.9° | 120.0° |
| C26 | C27 | H22 | 120.0° | 119.7° |
| C30 | C29 | C28 | 120.3° | 119.9° |
| C30 | C29 | H24 | 119.8° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.4° |
| C28 | C27 | H22 | 120.1° | 119.8° |
| C27 | C28 | H23 | 120.0° | 119.8° |
| C29 | C28 | H23 | 120.0° | 119.8° |
| C28 | C29 | H24 | 119.8° | 120.0° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H6 | 109.5° | 109.4° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.4° | 109.5° |
| H7 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.4° | 109.5° |
| H14 | C19 | H16 | 109.4° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C32 | C33 | H26 | 180.0° | 179.9° |
| C32 | C31 | C18 | H25 | 180.0° | 179.9° |
| C31 | C32 | C33 | N36 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.3° | 0.1° |
| C32 | C31 | C18 | C17 | 177.8° | 180.0° |
| C32 | C31 | C18 | C35 | 2.5° | 0.3° |
| C33 | C32 | C31 | C18 | 1.0° | 0.0° |
| C32 | C33 | N36 | O37 | 28.2° | 180.0° |
| C32 | C33 | N36 | C34 | 179.7° | 179.9° |
| C32 | C33 | N36 | O38 | 152.4° | 0.1° |
| C32 | C33 | C34 | C35 | 0.1° | 0.2° |
| C33 | C32 | C31 | H25 | 179.0° | 179.9° |
| C32 | C33 | C34 | H27 | 179.9° | 180.0° |
| C31 | C18 | C17 | C19 | 19.1° | 80.3° |
| C31 | C18 | C17 | C35 | 175.5° | 179.7° |
| C31 | C18 | C17 | N16 | 105.6° | 39.7° |
| C31 | C18 | C35 | C34 | 2.7° | 0.6° |
| C31 | C18 | C17 | H13 | 140.6° | 159.7° |
| C18 | C31 | C32 | H26 | 179.0° | 179.9° |
| C31 | C18 | C35 | H28 | 177.4° | 179.7° |
| C19 | C17 | C18 | N16 | 124.6° | 120.0° |
| C19 | C17 | C18 | H13 | 121.5° | 120.0° |
| C19 | C17 | C18 | C35 | 165.5° | 100.0° |
| C19 | C17 | N16 | H13 | 123.5° | 120.0° |
| C19 | C17 | N16 | C14 | 136.6° | 85.0° |
| C19 | C17 | N16 | H12 | 43.4° | 95.0° |
| C17 | C19 | H14 | H15 | 120.0° | 120.1° |
| C17 | C19 | H14 | H16 | 120.0° | 119.9° |
| C17 | C19 | H15 | H16 | 120.0° | 120.0° |
| O37 | N36 | C33 | O38 | 179.4° | 179.9° |
| O37 | N36 | C33 | C34 | 151.5° | 0.1° |
| N36 | C33 | C34 | C35 | 179.9° | 179.8° |
| N36 | C33 | C32 | H26 | 0.0° | 0.1° |
| N36 | C33 | C34 | H27 | 0.1° | 0.1° |
| O38 | N36 | C33 | C34 | 27.9° | 180.0° |
| C33 | C34 | C35 | C18 | 1.3° | 0.5° |
| C33 | C34 | C35 | H27 | 180.0° | 179.8° |
| C34 | C33 | C32 | H26 | 179.7° | 180.0° |
| C33 | C34 | C35 | H28 | 178.7° | 179.8° |
| C18 | C17 | N16 | H13 | 113.6° | 120.0° |
| C18 | C17 | N16 | C14 | 100.5° | 155.0° |
| C17 | C18 | C35 | C34 | 178.1° | 179.8° |
| C18 | C17 | N16 | H12 | 79.5° | 25.0° |
| C18 | C17 | C19 | H14 | 180.0° | 60.0° |
| C18 | C17 | C19 | H15 | 60.0° | 60.0° |
| C18 | C17 | C19 | H16 | 60.0° | 180.0° |
| C17 | C18 | C31 | H25 | 2.3° | 0.1° |
| C17 | C18 | C35 | H28 | 1.9° | 0.0° |
| C35 | C18 | C17 | N16 | 69.9° | 140.0° |
| C18 | C35 | C34 | H28 | 180.0° | 179.7° |
| C35 | C18 | C17 | H13 | 44.0° | 19.9° |
| C35 | C18 | C31 | H25 | 177.6° | 179.7° |
| C18 | C35 | C34 | H27 | 178.7° | 179.7° |
| C17 | N16 | C14 | H12 | 180.0° | 180.0° |
| C17 | N16 | C14 | O15 | 177.4° | 0.1° |
| C17 | N16 | C14 | C01 | 7.1° | 180.0° |
| N16 | C17 | C19 | H14 | 66.3° | 60.0° |
| N16 | C17 | C19 | H15 | 53.7° | 180.0° |
| N16 | C17 | C19 | H16 | 173.7° | 60.0° |
| N16 | C14 | O15 | C01 | 176.1° | 180.0° |
| N16 | C14 | C01 | C06 | 23.1° | 179.8° |
| N16 | C14 | C01 | C02 | 160.6° | 0.0° |
| C14 | N16 | C17 | H13 | 13.1° | 35.0° |
| O15 | C14 | C01 | C06 | 152.4° | 0.3° |
| O15 | C14 | C01 | C02 | 23.9° | 179.9° |
| O15 | C14 | N16 | H12 | 2.6° | 179.9° |
| C14 | C01 | C06 | C02 | 176.2° | 179.8° |
| C14 | C01 | C06 | C05 | 177.9° | 179.7° |
| C14 | C01 | C02 | C03 | 178.4° | 179.8° |
| C14 | C01 | C02 | H1 | 1.6° | 0.2° |
| C14 | C01 | C06 | H3 | 2.1° | 0.2° |
| C01 | C14 | N16 | H12 | 172.9° | 0.0° |
| C01 | C06 | C05 | H3 | 180.0° | 180.0° |
| C01 | C06 | C05 | C09 | 179.2° | 180.0° |
| C01 | C06 | C05 | C04 | 0.9° | 0.1° |
| C06 | C01 | C02 | C03 | 1.8° | 0.1° |
| C06 | C01 | C02 | H1 | 178.2° | 179.9° |
| C05 | C06 | C01 | C02 | 1.7° | 0.1° |
| C06 | C05 | C09 | C10 | 0.1° | 0.1° |
| C06 | C05 | C09 | C04 | 179.9° | 179.9° |
| C06 | C05 | C09 | C08 | 179.8° | 179.9° |
| C06 | C05 | C04 | C03 | 0.1° | 0.1° |
| C06 | C05 | C04 | N07 | 180.0° | 179.9° |
| C01 | C02 | C03 | H1 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 1.0° | 0.0° |
| C01 | C02 | C03 | H2 | 179.0° | 180.0° |
| C02 | C01 | C06 | H3 | 178.3° | 179.9° |
| C10 | C09 | C05 | C08 | 180.0° | 180.0° |
| C10 | C09 | C05 | C04 | 180.0° | 180.0° |
| C10 | C09 | C08 | N07 | 179.9° | 180.0° |
| C10 | C09 | C08 | C11 | 0.2° | 0.0° |
| C09 | C10 | H4 | H5 | 120.0° | 120.0° |
| C09 | C10 | H4 | H6 | 120.0° | 120.0° |
| C09 | C10 | H5 | H6 | 120.0° | 120.0° |
| C09 | C05 | C04 | C03 | 180.0° | 180.0° |
| C09 | C05 | C04 | N07 | 0.1° | 0.0° |
| C05 | C09 | C08 | N07 | 0.2° | 0.0° |
| C05 | C09 | C08 | C11 | 179.8° | 179.9° |
| C09 | C05 | C06 | H3 | 0.7° | 0.0° |
| C05 | C09 | C10 | H4 | 90.0° | 90.1° |
| C05 | C09 | C10 | H5 | 150.0° | 149.9° |
| C05 | C09 | C10 | H6 | 30.0° | 29.9° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C04 | C05 | C09 | C08 | 0.0° | 0.0° |
| C05 | C04 | C03 | N07 | 179.8° | 180.0° |
| C05 | C04 | N07 | C08 | 0.3° | 0.0° |
| C05 | C04 | N07 | C12 | 180.0° | 180.0° |
| C05 | C04 | C03 | H2 | 179.9° | 180.0° |
| C04 | C05 | C06 | H3 | 179.1° | 179.9° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | N07 | 180.0° | 180.0° |
| C09 | C08 | N07 | C04 | 0.3° | 0.0° |
| C09 | C08 | N07 | C11 | 179.6° | 179.9° |
| C09 | C08 | N07 | C12 | 180.0° | 180.0° |
| C08 | C09 | C10 | H4 | 90.0° | 90.0° |
| C08 | C09 | C10 | H5 | 30.0° | 30.0° |
| C08 | C09 | C10 | H6 | 150.0° | 150.1° |
| C09 | C08 | C11 | H7 | 89.8° | 90.0° |
| C09 | C08 | C11 | H8 | 150.2° | 30.1° |
| C09 | C08 | C11 | H9 | 30.2° | 150.0° |
| C03 | C04 | N07 | C08 | 179.9° | 180.0° |
| C03 | C04 | N07 | C12 | 0.2° | 0.0° |
| C04 | C03 | C02 | H1 | 179.0° | 180.0° |
| C04 | N07 | C08 | C12 | 179.7° | 180.0° |
| C04 | N07 | C08 | C11 | 179.9° | 180.0° |
| C04 | N07 | C12 | C13 | 96.6° | 90.0° |
| N07 | C04 | C03 | H2 | 0.1° | 0.0° |
| C04 | N07 | C12 | H10 | 23.8° | 150.0° |
| C04 | N07 | C12 | H11 | 143.0° | 30.0° |
| C08 | N07 | C12 | C13 | 83.7° | 90.0° |
| N07 | C08 | C11 | H7 | 89.8° | 89.9° |
| N07 | C08 | C11 | H8 | 30.2° | 150.0° |
| N07 | C08 | C11 | H9 | 150.2° | 30.1° |
| C08 | N07 | C12 | H10 | 155.9° | 30.0° |
| C08 | N07 | C12 | H11 | 36.6° | 150.0° |
| C11 | C08 | N07 | C12 | 0.4° | 0.1° |
| C08 | C11 | H7 | H8 | 120.0° | 120.0° |
| C08 | C11 | H7 | H9 | 120.0° | 120.0° |
| C08 | C11 | H8 | H9 | 120.0° | 120.0° |
| N07 | C12 | C13 | C20 | 18.6° | 89.7° |
| N07 | C12 | C13 | H10 | 120.4° | 120.0° |
| N07 | C12 | C13 | H11 | 120.4° | 120.0° |
| N07 | C12 | C13 | C24 | 161.9° | 90.0° |
| N07 | C12 | H10 | H11 | 118.8° | 120.0° |
| C21 | C20 | C13 | H17 | 180.0° | 180.0° |
| C21 | C20 | C13 | C12 | 179.7° | 180.0° |
| C20 | C21 | C22 | H18 | 180.0° | 180.0° |
| C21 | C20 | C13 | C24 | 0.2° | 0.3° |
| C20 | C21 | C22 | C25 | 179.7° | 180.0° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C20 | C13 | C12 | C24 | 179.5° | 179.7° |
| C13 | C20 | C21 | C22 | 0.5° | 0.0° |
| C20 | C13 | C24 | C23 | 0.1° | 0.6° |
| C20 | C13 | C12 | H10 | 139.0° | 150.3° |
| C20 | C13 | C12 | H11 | 101.8° | 30.3° |
| C13 | C20 | C21 | H18 | 179.5° | 180.0° |
| C20 | C13 | C24 | H20 | 179.9° | 179.7° |
| C12 | C13 | C24 | C23 | 179.5° | 179.7° |
| C13 | C12 | H10 | H11 | 118.8° | 120.0° |
| C12 | C13 | C20 | H17 | 0.3° | 0.0° |
| C12 | C13 | C24 | H20 | 0.4° | 0.0° |
| C21 | C22 | C25 | C23 | 179.7° | 179.9° |
| C21 | C22 | C23 | C24 | 0.4° | 0.3° |
| C21 | C22 | C25 | C26 | 122.5° | 58.2° |
| C21 | C22 | C25 | C30 | 58.5° | 122.1° |
| C22 | C21 | C20 | H17 | 179.5° | 180.0° |
| C21 | C22 | C23 | H19 | 179.6° | 180.0° |
| C13 | C24 | C23 | C22 | 0.2° | 0.6° |
| C13 | C24 | C23 | H20 | 180.0° | 179.7° |
| C24 | C13 | C12 | H10 | 41.5° | 30.0° |
| C24 | C13 | C12 | H11 | 77.7° | 150.0° |
| C24 | C13 | C20 | H17 | 179.7° | 179.7° |
| C13 | C24 | C23 | H19 | 179.8° | 179.7° |
| O40 | C39 | C30 | C25 | 118.3° | 6.3° |
| O40 | C39 | C30 | O41 | 179.5° | 180.0° |
| O40 | C39 | C30 | C29 | 61.2° | 173.5° |
| O40 | C39 | O41 | H29 | 0.0° | 0.0° |
| C25 | C22 | C23 | C24 | 179.9° | 179.7° |
| C22 | C25 | C26 | C30 | 179.0° | 179.7° |
| C22 | C25 | C30 | C39 | 0.8° | 0.0° |
| C22 | C25 | C26 | C27 | 179.7° | 180.0° |
| C22 | C25 | C30 | C29 | 179.7° | 179.8° |
| C25 | C22 | C21 | H18 | 0.3° | 0.1° |
| C25 | C22 | C23 | H19 | 0.1° | 0.0° |
| C22 | C25 | C26 | H21 | 0.2° | 0.0° |
| C22 | C23 | C24 | H19 | 180.0° | 179.7° |
| C23 | C22 | C25 | C26 | 57.2° | 121.9° |
| C23 | C22 | C25 | C30 | 121.8° | 57.8° |
| C23 | C22 | C21 | H18 | 179.4° | 180.0° |
| C22 | C23 | C24 | H20 | 179.8° | 179.7° |
| C26 | C25 | C30 | C39 | 179.8° | 179.7° |
| C25 | C26 | C27 | H21 | 180.0° | 180.0° |
| C26 | C25 | C30 | C29 | 0.7° | 0.5° |
| C25 | C26 | C27 | C28 | 0.4° | 0.0° |
| C25 | C26 | C27 | H22 | 179.6° | 180.0° |
| C25 | C30 | C39 | C29 | 179.5° | 179.7° |
| C25 | C30 | C39 | O41 | 61.2° | 173.7° |
| C30 | C25 | C26 | C27 | 0.7° | 0.3° |
| C25 | C30 | C29 | C28 | 0.4° | 0.5° |
| C30 | C25 | C26 | H21 | 179.2° | 179.7° |
| C25 | C30 | C29 | H24 | 179.6° | 179.7° |
| C39 | C30 | C29 | C28 | 179.9° | 179.8° |
| C39 | C30 | C29 | H24 | 0.1° | 0.0° |
| C30 | C39 | O41 | H29 | 179.5° | 180.0° |
| O41 | C39 | C30 | C29 | 119.3° | 6.5° |
| C26 | C27 | C28 | H22 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | H23 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.3° |
| C30 | C29 | C28 | H24 | 180.0° | 179.8° |
| C30 | C29 | C28 | H23 | 180.0° | 179.7° |
| C27 | C28 | C29 | H23 | 180.0° | 180.0° |
| C28 | C27 | C26 | H21 | 179.6° | 180.0° |
| C27 | C28 | C29 | H24 | 179.9° | 179.9° |
| C29 | C28 | C27 | H22 | 180.0° | 180.0° |
| H1 | C02 | C03 | H2 | 1.0° | 0.0° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H7 | C11 | H8 | H9 | 120.0° | 120.0° |
| H12 | N16 | C17 | H13 | 166.9° | 145.0° |
| H13 | C17 | C19 | H14 | 57.9° | 179.9° |
| H13 | C17 | C19 | H15 | 177.9° | 59.9° |
| H13 | C17 | C19 | H16 | 62.1° | 60.1° |
| H14 | C19 | H15 | H16 | 120.0° | 120.0° |
| H17 | C20 | C21 | H18 | 0.5° | 0.0° |
| H19 | C23 | C24 | H20 | 0.2° | 0.0° |
| H21 | C26 | C27 | H22 | 0.4° | 0.0° |
| H22 | C27 | C28 | H23 | 0.0° | 0.0° |
| H23 | C28 | C29 | H24 | 0.0° | 0.1° |
| H25 | C31 | C32 | H26 | 1.0° | 0.0° |
| H27 | C34 | C35 | H28 | 1.3° | 0.1° |
