A1A4K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | doub | 1.36Å | 1.40Å | Aromatic |
| C26 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.41Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C43 | doub | 1.41Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.42Å | 1.40Å | Aromatic |
| C39 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | N33 | sing | 1.32Å | 1.34Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C43 | C42 | sing | 1.36Å | 1.40Å | Aromatic |
| C37 | N36 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.54Å | |
| C23 | C40 | doub | 1.40Å | 1.41Å | Aromatic |
| N33 | C34 | doub | 1.32Å | 1.34Å | Aromatic |
| C42 | C41 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C11 | sing | 1.48Å | 1.52Å | |
| C28 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C09 | sing | 1.53Å | 1.55Å | |
| N36 | C35 | sing | 1.32Å | 1.33Å | Aromatic |
| N10 | C11 | sing | 1.35Å | 1.46Å | |
| N10 | C09 | sing | 1.47Å | 1.47Å | |
| C40 | C41 | sing | 1.36Å | 1.40Å | Aromatic |
| C11 | O27 | doub | 1.22Å | 1.19Å | |
| C34 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| C29 | C01 | sing | 1.51Å | 1.54Å | |
| C08 | S07 | sing | 1.81Å | 1.82Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C03 | N04 | sing | 1.46Å | 1.48Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| N04 | C05 | sing | 1.35Å | 1.47Å | |
| S07 | C06 | sing | 1.81Å | 1.83Å | |
| C05 | C06 | sing | 1.51Å | 1.54Å | |
| C05 | O12 | doub | 1.21Å | 1.20Å | |
| C06 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C18 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C35 | H27 | sing | 1.08Å | 1.08Å | |
| C37 | H28 | sing | 1.08Å | 1.08Å | |
| C38 | H29 | sing | 1.08Å | 1.08Å | |
| C39 | H30 | sing | 1.08Å | 1.08Å | |
| C40 | H31 | sing | 1.08Å | 1.08Å | |
| C41 | H32 | sing | 1.08Å | 1.08Å | |
| C42 | H33 | sing | 1.08Å | 1.08Å | |
| C43 | H34 | sing | 1.08Å | 1.08Å | |
| N04 | H35 | sing | 0.97Å | 1.00Å | |
| N10 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C26 | C22 | 119.9° | 121.0° |
| C26 | C25 | C24 | 120.2° | 119.7° |
| C26 | C25 | H21 | 119.9° | 120.2° |
| C25 | C26 | H22 | 120.0° | 119.5° |
| C26 | C22 | C21 | 120.1° | 121.0° |
| C26 | C22 | H20 | 120.0° | 119.5° |
| C22 | C26 | H22 | 120.1° | 119.5° |
| C25 | C24 | C43 | 119.2° | 121.3° |
| C25 | C24 | C23 | 120.3° | 119.4° |
| C24 | C25 | H21 | 119.9° | 120.1° |
| C22 | C21 | C23 | 120.1° | 119.6° |
| C22 | C21 | C20 | 117.9° | 120.2° |
| C21 | C22 | H20 | 119.9° | 119.5° |
| C39 | C38 | C37 | 119.5° | 119.3° |
| C38 | C39 | C28 | 117.8° | 118.3° |
| C39 | C38 | H29 | 120.2° | 120.3° |
| C38 | C39 | H30 | 121.1° | 120.8° |
| C38 | C37 | N36 | 120.3° | 121.1° |
| C38 | C37 | H28 | 119.8° | 119.5° |
| C37 | C38 | H29 | 120.2° | 120.4° |
| C43 | C24 | C23 | 120.5° | 119.4° |
| C24 | C43 | C42 | 120.6° | 119.6° |
| C24 | C43 | H34 | 119.7° | 120.2° |
| C24 | C23 | C21 | 119.4° | 119.3° |
| C24 | C23 | C40 | 118.9° | 119.4° |
| C39 | C28 | C11 | 120.6° | 120.6° |
| C39 | C28 | C35 | 120.4° | 118.9° |
| C28 | C39 | H30 | 121.1° | 120.9° |
| C31 | C32 | N33 | 120.6° | 120.7° |
| C32 | C31 | C30 | 119.5° | 119.2° |
| C32 | C31 | H24 | 120.3° | 120.4° |
| C31 | C32 | H25 | 119.7° | 119.6° |
| C32 | N33 | C34 | 122.0° | 121.8° |
| N33 | C32 | H25 | 119.7° | 119.6° |
| C31 | C30 | C29 | 118.1° | 118.4° |
| C31 | C30 | H23 | 120.9° | 120.7° |
| C30 | C31 | H24 | 120.2° | 120.4° |
| C43 | C42 | C41 | 119.4° | 121.0° |
| C43 | C42 | H33 | 120.3° | 119.5° |
| C42 | C43 | H34 | 119.7° | 120.2° |
| C37 | N36 | C35 | 122.1° | 121.9° |
| N36 | C37 | H28 | 119.9° | 119.5° |
| C23 | C21 | C20 | 122.0° | 120.2° |
| C21 | C23 | C40 | 121.7° | 121.3° |
| C21 | C20 | C09 | 108.8° | 109.5° |
| C21 | C20 | H18 | 109.6° | 109.5° |
| C21 | C20 | H19 | 109.6° | 109.5° |
| C23 | C40 | C41 | 120.6° | 119.7° |
| C23 | C40 | H31 | 119.7° | 120.2° |
| N33 | C34 | C29 | 119.8° | 120.7° |
| N33 | C34 | H26 | 120.1° | 119.6° |
| C42 | C41 | C40 | 120.0° | 121.0° |
| C42 | C41 | H32 | 120.0° | 119.5° |
| C41 | C42 | H33 | 120.3° | 119.5° |
| C11 | C28 | C35 | 118.9° | 120.6° |
| C28 | C11 | N10 | 125.5° | 120.0° |
| C28 | C11 | O27 | 116.6° | 120.0° |
| C28 | C35 | N36 | 119.9° | 120.6° |
| C28 | C35 | H27 | 120.1° | 119.8° |
| C30 | C29 | C34 | 120.1° | 119.2° |
| C30 | C29 | C01 | 119.1° | 120.4° |
| C29 | C30 | H23 | 120.9° | 120.9° |
| C20 | C09 | N10 | 109.8° | 109.5° |
| C20 | C09 | C08 | 112.4° | 109.5° |
| C20 | C09 | H10 | 107.0° | 109.5° |
| C09 | C20 | H18 | 109.6° | 109.5° |
| C09 | C20 | H19 | 109.7° | 109.5° |
| N36 | C35 | H27 | 120.0° | 119.7° |
| C11 | N10 | C09 | 114.5° | 120.0° |
| N10 | C11 | O27 | 117.9° | 120.0° |
| C11 | N10 | H36 | 122.7° | 120.0° |
| N10 | C09 | C08 | 112.3° | 109.5° |
| N10 | C09 | H10 | 107.8° | 109.5° |
| C09 | N10 | H36 | 122.7° | 119.9° |
| C41 | C40 | H31 | 119.7° | 120.2° |
| C40 | C41 | H32 | 120.0° | 119.5° |
| C34 | C29 | C01 | 120.9° | 120.4° |
| C29 | C34 | H26 | 120.1° | 119.6° |
| C09 | C08 | S07 | 104.8° | 109.5° |
| C09 | C08 | H8 | 110.6° | 109.5° |
| C09 | C08 | H9 | 110.6° | 109.4° |
| C08 | C09 | H10 | 107.1° | 109.4° |
| C29 | C01 | C02 | 114.6° | 109.5° |
| C29 | C01 | H1 | 108.2° | 109.5° |
| C29 | C01 | H2 | 108.2° | 109.5° |
| C08 | S07 | C06 | 110.5° | 103.0° |
| S07 | C08 | H8 | 110.6° | 109.5° |
| S07 | C08 | H9 | 110.6° | 109.5° |
| C01 | C02 | C03 | 114.2° | 109.5° |
| C02 | C01 | H1 | 108.2° | 109.5° |
| C02 | C01 | H2 | 108.2° | 109.5° |
| C01 | C02 | H3 | 108.3° | 109.5° |
| C01 | C02 | H4 | 108.3° | 109.5° |
| N04 | C03 | C02 | 112.1° | 109.5° |
| C03 | N04 | C05 | 121.1° | 120.0° |
| N04 | C03 | H5 | 108.8° | 109.5° |
| N04 | C03 | H6 | 108.8° | 109.4° |
| C03 | N04 | H35 | 119.4° | 120.0° |
| C03 | C02 | H3 | 108.3° | 109.5° |
| C03 | C02 | H4 | 108.3° | 109.4° |
| C02 | C03 | H5 | 108.8° | 109.5° |
| C02 | C03 | H6 | 108.8° | 109.5° |
| N04 | C05 | C06 | 122.3° | 120.0° |
| N04 | C05 | O12 | 120.6° | 120.0° |
| C05 | N04 | H35 | 119.5° | 120.0° |
| S07 | C06 | C05 | 110.8° | 109.4° |
| S07 | C06 | C13 | 112.3° | 109.5° |
| S07 | C06 | H7 | 105.7° | 109.5° |
| C06 | C05 | O12 | 117.2° | 120.0° |
| C05 | C06 | C13 | 110.5° | 109.5° |
| C05 | C06 | H7 | 108.7° | 109.4° |
| C06 | C13 | C14 | 108.7° | 109.5° |
| C13 | C06 | H7 | 108.7° | 109.6° |
| C06 | C13 | H11 | 109.7° | 109.5° |
| C06 | C13 | H12 | 109.7° | 109.4° |
| C13 | C14 | C18 | 120.2° | 120.0° |
| C13 | C14 | C19 | 119.7° | 120.0° |
| C14 | C13 | H11 | 109.7° | 109.5° |
| C14 | C13 | H12 | 109.7° | 109.4° |
| C14 | C18 | C17 | 119.8° | 120.0° |
| C18 | C14 | C19 | 120.1° | 120.0° |
| C14 | C18 | H16 | 120.1° | 120.0° |
| C18 | C17 | C16 | 120.4° | 120.0° |
| C18 | C17 | H15 | 119.8° | 120.0° |
| C17 | C18 | H16 | 120.1° | 120.0° |
| C14 | C19 | C15 | 119.8° | 120.0° |
| C14 | C19 | H17 | 120.1° | 119.9° |
| C17 | C16 | C15 | 119.6° | 120.0° |
| C17 | C16 | H14 | 120.2° | 120.0° |
| C16 | C17 | H15 | 119.8° | 120.0° |
| C19 | C15 | C16 | 120.3° | 120.0° |
| C19 | C15 | H13 | 119.9° | 120.0° |
| C15 | C19 | H17 | 120.1° | 120.0° |
| C16 | C15 | H13 | 119.9° | 120.0° |
| C15 | C16 | H14 | 120.2° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H3 | C02 | H4 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C26 | C22 | H22 | 180.0° | 179.2° |
| C26 | C25 | C24 | H21 | 180.0° | 179.5° |
| C25 | C26 | C22 | C21 | 0.2° | 0.5° |
| C26 | C25 | C24 | C43 | 180.0° | 179.4° |
| C26 | C25 | C24 | C23 | 0.0° | 0.5° |
| C25 | C26 | C22 | H20 | 179.7° | 179.4° |
| C22 | C26 | C25 | C24 | 0.1° | 0.7° |
| C26 | C22 | C21 | H20 | 180.0° | 179.9° |
| C26 | C22 | C21 | C23 | 0.6° | 0.1° |
| C26 | C22 | C21 | C20 | 179.3° | 179.7° |
| C22 | C26 | C25 | H21 | 179.9° | 179.7° |
| C25 | C24 | C43 | C23 | 180.0° | 179.9° |
| C25 | C24 | C43 | C42 | 180.0° | 180.0° |
| C25 | C24 | C23 | C21 | 0.4° | 0.1° |
| C25 | C24 | C23 | C40 | 180.0° | 180.0° |
| C24 | C25 | C26 | H22 | 179.9° | 180.0° |
| C25 | C24 | C43 | H34 | 0.0° | 0.1° |
| C22 | C21 | C23 | C24 | 0.7° | 0.3° |
| C22 | C21 | C23 | C20 | 178.6° | 179.7° |
| C22 | C21 | C23 | C40 | 179.7° | 179.7° |
| C22 | C21 | C20 | C09 | 84.3° | 91.4° |
| C22 | C21 | C20 | H18 | 155.8° | 148.6° |
| C22 | C21 | C20 | H19 | 35.6° | 28.6° |
| C21 | C22 | C26 | H22 | 179.8° | 179.7° |
| C39 | C38 | C37 | H29 | 180.0° | 179.9° |
| C38 | C39 | C28 | H30 | 180.0° | 180.0° |
| C39 | C38 | C37 | N36 | 0.0° | 0.3° |
| C38 | C39 | C28 | C11 | 178.3° | 180.0° |
| C38 | C39 | C28 | C35 | 1.8° | 0.3° |
| C39 | C38 | C37 | H28 | 180.0° | 179.9° |
| C37 | C38 | C39 | C28 | 0.9° | 0.0° |
| C38 | C37 | N36 | H28 | 180.0° | 179.7° |
| C38 | C37 | N36 | C35 | 0.1° | 0.3° |
| C37 | C38 | C39 | H30 | 179.1° | 180.0° |
| C24 | C43 | C42 | H34 | 180.0° | 179.9° |
| C43 | C24 | C23 | C21 | 179.6° | 180.0° |
| C43 | C24 | C23 | C40 | 0.0° | 0.1° |
| C24 | C43 | C42 | C41 | 0.0° | 0.1° |
| C43 | C24 | C25 | H21 | 0.0° | 0.1° |
| C24 | C43 | C42 | H33 | 180.0° | 180.0° |
| C23 | C24 | C43 | C42 | 0.0° | 0.1° |
| C24 | C23 | C21 | C40 | 179.6° | 180.0° |
| C24 | C23 | C21 | C20 | 179.3° | 180.0° |
| C24 | C23 | C40 | C41 | 0.0° | 0.0° |
| C23 | C24 | C25 | H21 | 180.0° | 180.0° |
| C24 | C23 | C40 | H31 | 180.0° | 179.9° |
| C23 | C24 | C43 | H34 | 180.0° | 180.0° |
| C39 | C28 | C11 | C35 | 176.5° | 179.7° |
| C39 | C28 | C35 | N36 | 1.9° | 0.3° |
| C39 | C28 | C11 | N10 | 77.0° | 179.7° |
| C39 | C28 | C11 | O27 | 102.3° | 0.3° |
| C39 | C28 | C35 | H27 | 178.1° | 179.7° |
| C28 | C39 | C38 | H29 | 179.1° | 180.0° |
| C31 | C32 | N33 | H25 | 180.0° | 180.0° |
| C32 | C31 | C30 | H24 | 180.0° | 180.0° |
| C31 | C32 | N33 | C34 | 0.1° | 0.3° |
| C32 | C31 | C30 | C29 | 0.3° | 0.0° |
| C32 | C31 | C30 | H23 | 179.7° | 180.0° |
| N33 | C32 | C31 | C30 | 0.0° | 0.1° |
| C32 | N33 | C34 | C29 | 0.0° | 0.6° |
| N33 | C32 | C31 | H24 | 180.0° | 180.0° |
| C32 | N33 | C34 | H26 | 179.9° | 179.7° |
| C31 | C30 | C29 | H23 | 180.0° | 180.0° |
| C31 | C30 | C29 | C34 | 0.5° | 0.3° |
| C31 | C30 | C29 | C01 | 179.9° | 180.0° |
| C30 | C31 | C32 | H25 | 180.0° | 180.0° |
| C43 | C42 | C41 | H33 | 180.0° | 179.9° |
| C43 | C42 | C41 | C40 | 0.0° | 0.0° |
| C43 | C42 | C41 | H32 | 180.0° | 179.9° |
| C37 | N36 | C35 | C28 | 1.0° | 0.0° |
| C37 | N36 | C35 | H27 | 179.0° | 180.0° |
| N36 | C37 | C38 | H29 | 180.0° | 179.7° |
| C23 | C21 | C20 | C09 | 94.3° | 88.2° |
| C21 | C23 | C40 | C41 | 179.6° | 180.0° |
| C23 | C21 | C20 | H18 | 25.6° | 31.8° |
| C23 | C21 | C20 | H19 | 145.8° | 151.7° |
| C23 | C21 | C22 | H20 | 179.3° | 180.0° |
| C21 | C23 | C40 | H31 | 0.4° | 0.1° |
| C20 | C21 | C23 | C40 | 1.1° | 0.0° |
| C21 | C20 | C09 | H18 | 119.9° | 120.0° |
| C21 | C20 | C09 | H19 | 119.9° | 120.0° |
| C21 | C20 | C09 | N10 | 73.2° | 66.0° |
| C21 | C20 | C09 | C08 | 161.0° | 174.0° |
| C21 | C20 | C09 | H10 | 43.6° | 54.0° |
| C21 | C20 | H18 | H19 | 120.3° | 120.0° |
| C20 | C21 | C22 | H20 | 0.7° | 0.4° |
| C23 | C40 | C41 | C42 | 0.1° | 0.0° |
| C23 | C40 | C41 | H31 | 180.0° | 179.9° |
| C23 | C40 | C41 | H32 | 179.9° | 179.9° |
| N33 | C34 | C29 | C30 | 0.3° | 0.5° |
| N33 | C34 | C29 | H26 | 180.0° | 179.8° |
| N33 | C34 | C29 | C01 | 179.8° | 179.7° |
| C34 | N33 | C32 | H25 | 179.9° | 179.7° |
| C42 | C41 | C40 | H32 | 180.0° | 179.9° |
| C42 | C41 | C40 | H31 | 180.0° | 179.9° |
| C41 | C42 | C43 | H34 | 180.0° | 180.0° |
| C11 | C28 | C35 | N36 | 178.5° | 180.0° |
| C28 | C11 | N10 | O27 | 179.3° | 179.9° |
| C28 | C11 | N10 | C09 | 179.1° | 174.8° |
| C11 | C28 | C35 | H27 | 1.5° | 0.0° |
| C11 | C28 | C39 | H30 | 1.7° | 0.0° |
| C28 | C11 | N10 | H36 | 0.9° | 5.1° |
| C28 | C35 | N36 | H27 | 180.0° | 180.0° |
| C35 | C28 | C11 | N10 | 106.4° | 0.0° |
| C35 | C28 | C11 | O27 | 74.2° | 180.0° |
| C35 | C28 | C39 | H30 | 178.2° | 179.7° |
| C30 | C29 | C34 | C01 | 179.4° | 179.8° |
| C30 | C29 | C01 | C02 | 105.0° | 90.0° |
| C30 | C29 | C01 | H1 | 15.7° | 30.1° |
| C30 | C29 | C01 | H2 | 134.3° | 150.0° |
| C29 | C30 | C31 | H24 | 179.7° | 180.0° |
| C30 | C29 | C34 | H26 | 179.7° | 179.7° |
| C20 | C09 | N10 | C11 | 120.0° | 123.4° |
| C20 | C09 | N10 | C08 | 125.9° | 120.0° |
| C20 | C09 | N10 | H10 | 116.3° | 120.0° |
| C20 | C09 | C08 | H10 | 117.3° | 120.0° |
| C20 | C09 | C08 | S07 | 85.3° | 178.0° |
| C20 | C09 | C08 | H8 | 33.9° | 58.0° |
| C20 | C09 | C08 | H9 | 155.4° | 62.0° |
| C09 | C20 | H18 | H19 | 120.4° | 120.0° |
| C20 | C09 | N10 | H36 | 60.1° | 56.6° |
| C35 | N36 | C37 | H28 | 180.0° | 180.0° |
| C11 | N10 | C09 | H36 | 180.0° | 180.0° |
| C11 | N10 | C09 | C08 | 114.2° | 116.6° |
| C11 | N10 | C09 | H10 | 3.7° | 3.4° |
| C09 | N10 | C11 | O27 | 0.2° | 5.2° |
| N10 | C09 | C08 | H10 | 118.3° | 120.0° |
| N10 | C09 | C08 | S07 | 150.2° | 61.9° |
| N10 | C09 | C08 | H8 | 90.5° | 178.0° |
| N10 | C09 | C08 | H9 | 31.0° | 58.0° |
| N10 | C09 | C20 | H18 | 167.0° | 54.0° |
| N10 | C09 | C20 | H19 | 46.7° | 174.0° |
| C40 | C41 | C42 | H33 | 180.0° | 180.0° |
| O27 | C11 | N10 | H36 | 179.8° | 174.8° |
| C34 | C29 | C01 | C02 | 75.6° | 90.2° |
| C34 | C29 | C01 | H1 | 163.7° | 149.7° |
| C34 | C29 | C01 | H2 | 45.2° | 29.7° |
| C34 | C29 | C30 | H23 | 179.5° | 179.8° |
| C09 | C08 | S07 | H8 | 119.2° | 120.0° |
| C09 | C08 | S07 | H9 | 119.3° | 120.0° |
| C09 | C08 | S07 | C06 | 89.3° | 174.8° |
| C09 | C08 | H8 | H9 | 122.2° | 120.0° |
| C08 | C09 | C20 | H18 | 41.1° | 66.0° |
| C08 | C09 | C20 | H19 | 79.1° | 54.0° |
| C08 | C09 | N10 | H36 | 65.8° | 63.5° |
| C29 | C01 | C02 | H1 | 120.7° | 120.0° |
| C29 | C01 | C02 | H2 | 120.7° | 120.0° |
| C29 | C01 | C02 | C03 | 34.6° | 180.0° |
| C29 | C01 | H1 | H2 | 117.7° | 120.0° |
| C29 | C01 | C02 | H3 | 155.3° | 60.0° |
| C29 | C01 | C02 | H4 | 86.1° | 60.0° |
| C01 | C29 | C30 | H23 | 0.1° | 0.0° |
| C01 | C29 | C34 | H26 | 0.2° | 0.1° |
| C08 | S07 | C06 | C05 | 106.5° | 66.5° |
| C08 | S07 | C06 | C13 | 17.5° | 173.6° |
| C08 | S07 | C06 | H7 | 135.9° | 53.5° |
| S07 | C08 | H8 | H9 | 122.2° | 120.0° |
| S07 | C08 | C09 | H10 | 32.0° | 58.0° |
| C01 | C02 | C03 | N04 | 115.9° | 180.0° |
| C01 | C02 | C03 | H3 | 120.7° | 120.0° |
| C01 | C02 | C03 | H4 | 120.7° | 120.0° |
| C02 | C01 | H1 | H2 | 117.7° | 120.0° |
| C01 | C02 | H3 | H4 | 117.9° | 120.0° |
| C01 | C02 | C03 | H5 | 4.5° | 60.0° |
| C01 | C02 | C03 | H6 | 123.7° | 60.0° |
| N04 | C03 | C02 | H5 | 120.4° | 120.0° |
| N04 | C03 | C02 | H6 | 120.4° | 119.9° |
| C03 | N04 | C05 | H35 | 180.0° | 179.9° |
| C03 | N04 | C05 | C06 | 180.0° | 180.0° |
| C03 | N04 | C05 | O12 | 0.3° | 0.1° |
| N04 | C03 | C02 | H3 | 4.8° | 60.0° |
| N04 | C03 | C02 | H4 | 123.4° | 60.0° |
| N04 | C03 | H5 | H6 | 118.8° | 119.9° |
| C02 | C03 | N04 | C05 | 64.0° | 180.0° |
| C03 | C02 | C01 | H1 | 86.2° | 60.0° |
| C03 | C02 | C01 | H2 | 155.3° | 60.0° |
| C03 | C02 | H3 | H4 | 117.8° | 120.0° |
| C02 | C03 | H5 | H6 | 118.8° | 120.0° |
| C02 | C03 | N04 | H35 | 116.0° | 0.1° |
| N04 | C05 | C06 | S07 | 54.6° | 160.0° |
| N04 | C05 | C06 | O12 | 179.7° | 179.9° |
| N04 | C05 | C06 | C13 | 70.5° | 80.0° |
| C05 | N04 | C03 | H5 | 175.6° | 60.0° |
| C05 | N04 | C03 | H6 | 56.4° | 60.0° |
| N04 | C05 | C06 | H7 | 170.3° | 40.1° |
| S07 | C06 | C05 | C13 | 125.1° | 120.0° |
| S07 | C06 | C05 | H7 | 115.8° | 120.0° |
| S07 | C06 | C05 | O12 | 125.7° | 20.0° |
| S07 | C06 | C13 | H7 | 116.6° | 120.0° |
| S07 | C06 | C13 | C14 | 99.2° | 65.9° |
| C06 | S07 | C08 | H8 | 151.5° | 65.1° |
| C06 | S07 | C08 | H9 | 30.0° | 54.9° |
| S07 | C06 | C13 | H11 | 20.7° | 54.1° |
| S07 | C06 | C13 | H12 | 141.0° | 174.1° |
| C05 | C06 | C13 | H7 | 119.1° | 120.0° |
| C05 | C06 | C13 | C14 | 136.5° | 174.1° |
| C05 | C06 | C13 | H11 | 103.6° | 65.8° |
| C05 | C06 | C13 | H12 | 16.7° | 54.2° |
| C06 | C05 | N04 | H35 | 0.0° | 0.1° |
| O12 | C05 | C06 | C13 | 109.2° | 99.9° |
| O12 | C05 | C06 | H7 | 10.0° | 140.0° |
| O12 | C05 | N04 | H35 | 179.7° | 180.0° |
| C06 | C13 | C14 | H11 | 119.9° | 120.1° |
| C06 | C13 | C14 | H12 | 119.9° | 119.9° |
| C06 | C13 | C14 | C18 | 127.5° | 83.8° |
| C06 | C13 | C14 | C19 | 51.4° | 95.9° |
| C06 | C13 | H11 | H12 | 120.4° | 120.0° |
| C13 | C14 | C18 | C19 | 178.8° | 179.7° |
| C13 | C14 | C18 | C17 | 179.4° | 180.0° |
| C13 | C14 | C19 | C15 | 179.3° | 180.0° |
| C14 | C13 | C06 | H7 | 17.4° | 54.1° |
| C14 | C13 | H11 | H12 | 120.4° | 120.0° |
| C13 | C14 | C18 | H16 | 0.6° | 0.1° |
| C13 | C14 | C19 | H17 | 0.7° | 0.1° |
| C14 | C18 | C17 | H16 | 180.0° | 179.9° |
| C14 | C18 | C17 | C16 | 0.3° | 0.0° |
| C18 | C14 | C19 | C15 | 0.5° | 0.3° |
| C18 | C14 | C13 | H11 | 7.6° | 156.1° |
| C18 | C14 | C13 | H12 | 112.7° | 36.1° |
| C14 | C18 | C17 | H15 | 179.7° | 179.7° |
| C18 | C14 | C19 | H17 | 179.5° | 179.7° |
| C17 | C18 | C14 | C19 | 0.6° | 0.3° |
| C18 | C17 | C16 | H15 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.0° | 0.4° |
| C18 | C17 | C16 | H14 | 180.0° | 180.0° |
| C14 | C19 | C15 | H17 | 180.0° | 180.0° |
| C14 | C19 | C15 | C16 | 0.2° | 0.1° |
| C19 | C14 | C13 | H11 | 171.2° | 24.2° |
| C19 | C14 | C13 | H12 | 68.5° | 144.2° |
| C14 | C19 | C15 | H13 | 179.8° | 180.0° |
| C19 | C14 | C18 | H16 | 179.4° | 179.8° |
| C17 | C16 | C15 | C19 | 0.1° | 0.4° |
| C17 | C16 | C15 | H14 | 180.0° | 179.6° |
| C17 | C16 | C15 | H13 | 180.0° | 179.7° |
| C16 | C17 | C18 | H16 | 179.7° | 179.9° |
| C19 | C15 | C16 | H13 | 180.0° | 179.9° |
| C19 | C15 | C16 | H14 | 179.9° | 180.0° |
| C15 | C16 | C17 | H15 | 180.0° | 179.9° |
| C16 | C15 | C19 | H17 | 179.8° | 179.9° |
| H1 | C01 | C02 | H3 | 34.5° | 60.0° |
| H1 | C01 | C02 | H4 | 153.2° | 180.0° |
| H2 | C01 | C02 | H3 | 84.0° | 180.0° |
| H2 | C01 | C02 | H4 | 34.6° | 60.0° |
| H3 | C02 | C03 | H5 | 125.2° | 180.0° |
| H3 | C02 | C03 | H6 | 115.6° | 60.0° |
| H4 | C02 | C03 | H5 | 116.2° | 60.0° |
| H4 | C02 | C03 | H6 | 3.0° | 180.0° |
| H5 | C03 | N04 | H35 | 4.5° | 120.0° |
| H6 | C03 | N04 | H35 | 123.6° | 120.1° |
| H7 | C06 | C13 | H11 | 137.3° | 174.2° |
| H7 | C06 | C13 | H12 | 102.5° | 65.8° |
| H8 | C08 | C09 | H10 | 151.2° | 62.0° |
| H9 | C08 | C09 | H10 | 87.3° | 178.0° |
| H10 | C09 | C20 | H18 | 76.2° | 174.0° |
| H10 | C09 | C20 | H19 | 163.5° | 66.0° |
| H10 | C09 | N10 | H36 | 176.3° | 176.6° |
| H13 | C15 | C16 | H14 | 0.1° | 0.1° |
| H13 | C15 | C19 | H17 | 0.2° | 0.0° |
| H14 | C16 | C17 | H15 | 0.0° | 0.4° |
| H15 | C17 | C18 | H16 | 0.3° | 0.2° |
| H20 | C22 | C26 | H22 | 0.3° | 0.2° |
| H21 | C25 | C26 | H22 | 0.1° | 0.5° |
| H23 | C30 | C31 | H24 | 0.3° | 0.0° |
| H24 | C31 | C32 | H25 | 0.0° | 0.0° |
| H28 | C37 | C38 | H29 | 0.0° | 0.0° |
| H29 | C38 | C39 | H30 | 0.9° | 0.0° |
| H31 | C40 | C41 | H32 | 0.1° | 0.0° |
| H32 | C41 | C42 | H33 | 0.0° | 0.0° |
| H33 | C42 | C43 | H34 | 0.0° | 0.1° |
