A1ICX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N31 | C30 | doub | 1.30Å | 1.41Å | |
| N31 | C32 | sing | 1.34Å | 1.34Å | |
| C30 | N40 | sing | 1.36Å | 1.40Å | |
| C33 | N34 | sing | 1.47Å | 1.48Å | |
| C32 | N34 | sing | 1.36Å | 1.33Å | Aromatic |
| C32 | C37 | doub | 1.40Å | 1.34Å | Aromatic |
| N34 | C35 | sing | 1.37Å | 1.32Å | Aromatic |
| N40 | C41 | sing | 1.46Å | 1.47Å | |
| N40 | C39 | sing | 1.35Å | 1.33Å | |
| C41 | C43 | sing | 1.53Å | 1.51Å | |
| O42 | C43 | sing | 1.43Å | 1.43Å | |
| C37 | C39 | sing | 1.41Å | 1.34Å | |
| C37 | C36 | sing | 1.46Å | 1.32Å | Aromatic |
| C39 | O38 | doub | 1.22Å | 1.22Å | |
| C35 | C36 | doub | 1.34Å | 1.32Å | Aromatic |
| C29 | C43 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C28 | N46 | sing | 1.47Å | 1.49Å | |
| C44 | C45 | sing | 1.53Å | 1.55Å | |
| N46 | C45 | sing | 1.47Å | 1.49Å | |
| N46 | C47 | sing | 1.35Å | 1.34Å | |
| O27 | C47 | doub | 1.21Å | 1.24Å | |
| C47 | C48 | sing | 1.51Å | 1.55Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.40Å | |
| C48 | C26 | sing | 1.53Å | 1.55Å | |
| C48 | C01 | sing | 1.53Å | 1.54Å | |
| C26 | C19 | sing | 1.53Å | 1.46Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C19 | N18 | sing | 1.47Å | 1.46Å | |
| C02 | N18 | sing | 1.47Å | 1.48Å | |
| N18 | C17 | sing | 1.35Å | 1.36Å | |
| C17 | O03 | doub | 1.22Å | 1.24Å | |
| C17 | C16 | sing | 1.47Å | 1.32Å | |
| S04 | C16 | sing | 1.76Å | 1.61Å | Aromatic |
| S04 | C13 | sing | 1.76Å | 1.69Å | Aromatic |
| C16 | C15 | doub | 1.37Å | 1.34Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C08 | N09 | sing | 1.32Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.37Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.35Å | |
| C13 | C14 | doub | 1.37Å | 1.34Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| N09 | C10 | doub | 1.32Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | O06 | sing | 1.36Å | 1.38Å | |
| O06 | C05 | sing | 1.43Å | 1.43Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H03 | sing | 1.09Å | 1.10Å | |
| C02 | H04 | sing | 1.09Å | 1.10Å | |
| C05 | H07 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H06 | sing | 1.09Å | 1.10Å | |
| C07 | H08 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H2A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H3A | sing | 1.09Å | 1.10Å | |
| C29 | H3B | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.08Å | 1.08Å | |
| C35 | H36 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H47 | sing | 1.09Å | 1.10Å | |
| C45 | H46 | sing | 1.09Å | 1.10Å | |
| O42 | H49 | sing | 0.97Å | 0.95Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C08 | H09 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | N31 | C32 | 118.8° | 121.3° |
| N31 | C30 | N40 | 119.2° | 122.4° |
| N31 | C30 | H30 | 120.4° | 118.8° |
| N31 | C32 | N34 | 132.4° | 133.7° |
| N31 | C32 | C37 | 119.9° | 119.0° |
| C30 | N40 | C41 | 120.8° | 119.9° |
| C30 | N40 | C39 | 118.7° | 120.2° |
| N40 | C30 | H30 | 120.4° | 118.8° |
| C33 | N34 | C32 | 132.5° | 125.0° |
| C33 | N34 | C35 | 119.9° | 124.9° |
| N34 | C33 | H35 | 109.5° | 109.4° |
| N34 | C33 | H33 | 109.5° | 109.5° |
| N34 | C33 | H34 | 109.5° | 109.5° |
| N34 | C32 | C37 | 107.7° | 107.3° |
| C32 | N34 | C35 | 107.7° | 110.1° |
| C32 | C37 | C39 | 122.5° | 118.9° |
| C32 | C37 | C36 | 107.9° | 106.3° |
| N34 | C35 | C36 | 108.6° | 109.6° |
| N34 | C35 | H36 | 125.7° | 125.2° |
| C41 | N40 | C39 | 120.4° | 119.9° |
| N40 | C41 | C43 | 109.9° | 109.5° |
| N40 | C41 | H41 | 109.4° | 109.5° |
| N40 | C41 | H42 | 109.4° | 109.5° |
| N40 | C39 | C37 | 120.9° | 118.1° |
| N40 | C39 | O38 | 118.5° | 121.0° |
| C41 | C43 | O42 | 106.9° | 109.5° |
| C41 | C43 | C29 | 110.0° | 109.5° |
| C41 | C43 | C44 | 110.6° | 109.5° |
| C43 | C41 | H41 | 109.4° | 109.5° |
| C43 | C41 | H42 | 109.4° | 109.4° |
| O42 | C43 | C29 | 110.5° | 109.4° |
| O42 | C43 | C44 | 110.6° | 109.4° |
| C43 | O42 | H49 | 109.5° | 114.0° |
| C39 | C37 | C36 | 129.6° | 134.8° |
| C37 | C39 | O38 | 120.7° | 121.0° |
| C37 | C36 | C35 | 108.2° | 106.7° |
| C37 | C36 | H37 | 125.9° | 126.7° |
| C35 | C36 | H37 | 125.9° | 126.6° |
| C36 | C35 | H36 | 125.7° | 125.2° |
| C43 | C29 | C28 | 108.8° | 109.3° |
| C29 | C43 | C44 | 108.3° | 109.5° |
| C43 | C29 | H3A | 109.6° | 109.5° |
| C43 | C29 | H3B | 109.6° | 109.5° |
| C29 | C28 | N46 | 108.8° | 108.8° |
| C29 | C28 | H28 | 109.6° | 109.6° |
| C29 | C28 | H29 | 109.6° | 109.7° |
| C28 | C29 | H3A | 109.6° | 109.5° |
| C28 | C29 | H3B | 109.6° | 109.5° |
| C43 | C44 | C45 | 109.6° | 109.3° |
| C43 | C44 | H44 | 109.4° | 109.5° |
| C43 | C44 | H45 | 109.4° | 109.5° |
| C28 | N46 | C45 | 117.8° | 118.7° |
| C28 | N46 | C47 | 116.4° | 120.7° |
| N46 | C28 | H28 | 109.6° | 109.6° |
| N46 | C28 | H29 | 109.6° | 109.6° |
| C44 | C45 | N46 | 110.3° | 108.8° |
| C45 | C44 | H44 | 109.5° | 109.5° |
| C45 | C44 | H45 | 109.4° | 109.5° |
| C44 | C45 | H47 | 109.3° | 109.6° |
| C44 | C45 | H46 | 109.3° | 109.6° |
| C45 | N46 | C47 | 125.7° | 120.6° |
| N46 | C45 | H47 | 109.3° | 109.6° |
| N46 | C45 | H46 | 109.2° | 109.7° |
| N46 | C47 | O27 | 121.7° | 120.0° |
| N46 | C47 | C48 | 117.7° | 120.0° |
| O27 | C47 | C48 | 120.5° | 119.9° |
| C47 | C48 | C26 | 107.6° | 109.5° |
| C47 | C48 | C01 | 108.6° | 109.4° |
| C47 | C48 | H48 | 109.4° | 109.5° |
| C23 | C22 | C21 | 121.2° | 120.0° |
| C22 | C23 | C24 | 120.2° | 120.0° |
| C23 | C22 | H22 | 119.4° | 120.0° |
| C22 | C23 | H23 | 119.9° | 120.0° |
| C22 | C21 | C20 | 118.7° | 120.0° |
| C22 | C21 | H21 | 120.6° | 120.0° |
| C21 | C22 | H22 | 119.4° | 120.0° |
| C23 | C24 | C25 | 119.0° | 120.0° |
| C23 | C24 | H24 | 120.5° | 120.0° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C21 | C20 | C25 | 120.3° | 120.0° |
| C21 | C20 | H20 | 119.8° | 120.0° |
| C20 | C21 | H21 | 120.6° | 120.0° |
| C24 | C25 | C20 | 120.5° | 120.0° |
| C24 | C25 | C26 | 118.3° | 120.0° |
| C25 | C24 | H24 | 120.5° | 120.0° |
| C20 | C25 | C26 | 121.1° | 120.0° |
| C25 | C20 | H20 | 119.8° | 120.0° |
| C25 | C26 | C48 | 114.4° | 109.5° |
| C25 | C26 | C19 | 110.6° | 109.5° |
| C25 | C26 | H26 | 108.5° | 109.5° |
| C26 | C48 | C01 | 112.4° | 109.5° |
| C48 | C26 | C19 | 108.8° | 109.3° |
| C26 | C48 | H48 | 109.3° | 109.4° |
| C48 | C26 | H26 | 106.6° | 109.5° |
| C48 | C01 | C02 | 113.1° | 109.3° |
| C48 | C01 | H01 | 108.6° | 109.5° |
| C48 | C01 | H02 | 108.6° | 109.5° |
| C01 | C48 | H48 | 109.5° | 109.4° |
| C26 | C19 | N18 | 104.9° | 108.8° |
| C26 | C19 | H2A | 110.6° | 109.5° |
| C26 | C19 | H19 | 110.6° | 109.7° |
| C19 | C26 | H26 | 107.7° | 109.5° |
| C01 | C02 | N18 | 111.6° | 108.8° |
| C02 | C01 | H01 | 108.5° | 109.5° |
| C02 | C01 | H02 | 108.6° | 109.5° |
| C01 | C02 | H03 | 108.9° | 109.6° |
| C01 | C02 | H04 | 108.9° | 109.6° |
| C19 | N18 | C02 | 112.4° | 118.7° |
| C19 | N18 | C17 | 121.4° | 120.6° |
| N18 | C19 | H2A | 110.6° | 109.6° |
| N18 | C19 | H19 | 110.6° | 109.6° |
| C02 | N18 | C17 | 125.9° | 120.7° |
| N18 | C02 | H03 | 108.9° | 109.5° |
| N18 | C02 | H04 | 108.9° | 109.6° |
| N18 | C17 | O03 | 123.0° | 120.0° |
| N18 | C17 | C16 | 121.3° | 120.0° |
| O03 | C17 | C16 | 115.4° | 120.0° |
| C17 | C16 | S04 | 124.3° | 125.1° |
| C17 | C16 | C15 | 123.9° | 125.2° |
| C16 | S04 | C13 | 93.1° | 91.1° |
| S04 | C16 | C15 | 111.7° | 109.7° |
| S04 | C13 | C12 | 124.6° | 125.2° |
| S04 | C13 | C14 | 108.8° | 109.7° |
| C16 | C15 | C14 | 113.1° | 114.7° |
| C16 | C15 | H15 | 123.5° | 122.7° |
| C08 | C07 | C12 | 119.6° | 119.1° |
| C07 | C08 | N09 | 122.2° | 121.0° |
| C08 | C07 | H08 | 120.2° | 120.5° |
| C07 | C08 | H09 | 118.9° | 119.5° |
| C07 | C12 | C13 | 120.4° | 121.0° |
| C07 | C12 | C11 | 117.9° | 118.1° |
| C12 | C07 | H08 | 120.2° | 120.4° |
| C08 | N09 | C10 | 118.2° | 122.2° |
| N09 | C08 | H09 | 118.9° | 119.5° |
| C15 | C14 | C13 | 113.3° | 114.8° |
| C14 | C15 | H15 | 123.4° | 122.6° |
| C15 | C14 | H14 | 123.4° | 122.6° |
| C12 | C13 | C14 | 126.5° | 125.1° |
| C13 | C12 | C11 | 121.5° | 120.9° |
| C13 | C14 | H14 | 123.3° | 122.6° |
| C12 | C11 | C10 | 122.3° | 118.9° |
| C12 | C11 | O06 | 118.4° | 120.6° |
| N09 | C10 | C11 | 119.7° | 120.8° |
| N09 | C10 | H10 | 120.1° | 119.6° |
| C10 | C11 | O06 | 119.3° | 120.5° |
| C11 | C10 | H10 | 120.2° | 119.6° |
| C11 | O06 | C05 | 115.4° | 117.0° |
| O06 | C05 | H07 | 109.5° | 109.5° |
| O06 | C05 | H05 | 109.4° | 109.5° |
| O06 | C05 | H06 | 109.5° | 109.4° |
| H28 | C28 | H29 | 109.5° | 109.6° |
| H01 | C01 | H02 | 109.5° | 109.5° |
| H03 | C02 | H04 | 109.5° | 109.7° |
| H07 | C05 | H05 | 109.5° | 109.5° |
| H07 | C05 | H06 | 109.5° | 109.5° |
| H05 | C05 | H06 | 109.5° | 109.5° |
| H2A | C19 | H19 | 109.5° | 109.6° |
| H3A | C29 | H3B | 109.5° | 109.5° |
| H35 | C33 | H33 | 109.4° | 109.5° |
| H35 | C33 | H34 | 109.5° | 109.5° |
| H33 | C33 | H34 | 109.5° | 109.5° |
| H41 | C41 | H42 | 109.5° | 109.5° |
| H44 | C44 | H45 | 109.5° | 109.5° |
| H47 | C45 | H46 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N31 | C30 | N40 | H30 | 180.0° | 179.6° |
| C30 | N31 | C32 | N34 | 179.5° | 179.0° |
| C30 | N31 | C32 | C37 | 0.6° | 0.5° |
| N31 | C30 | N40 | C41 | 179.7° | 179.7° |
| N31 | C30 | N40 | C39 | 0.4° | 0.2° |
| C32 | N31 | C30 | N40 | 0.6° | 0.0° |
| N31 | C32 | N34 | C33 | 0.2° | 1.1° |
| N31 | C32 | N34 | C37 | 179.8° | 178.7° |
| N31 | C32 | N34 | C35 | 179.3° | 179.4° |
| N31 | C32 | C37 | C39 | 0.5° | 0.7° |
| N31 | C32 | C37 | C36 | 179.3° | 179.6° |
| C32 | N31 | C30 | H30 | 179.5° | 179.7° |
| C30 | N40 | C41 | C39 | 179.9° | 180.0° |
| C30 | N40 | C41 | C43 | 76.0° | 90.0° |
| C30 | N40 | C39 | C37 | 0.3° | 0.0° |
| C30 | N40 | C39 | O38 | 179.7° | 180.0° |
| C30 | N40 | C41 | H41 | 164.0° | 150.0° |
| C30 | N40 | C41 | H42 | 44.1° | 30.0° |
| C33 | N34 | C32 | C35 | 179.5° | 179.4° |
| C33 | N34 | C32 | C37 | 180.0° | 179.8° |
| C33 | N34 | C35 | C36 | 179.9° | 180.0° |
| N34 | C33 | H35 | H33 | 120.0° | 120.0° |
| N34 | C33 | H35 | H34 | 120.0° | 120.0° |
| N34 | C33 | H33 | H34 | 120.0° | 120.0° |
| C33 | N34 | C35 | H36 | 0.1° | 0.1° |
| N34 | C32 | C37 | C39 | 179.6° | 179.6° |
| N34 | C32 | C37 | C36 | 0.5° | 0.7° |
| C32 | N34 | C35 | C36 | 0.3° | 0.5° |
| C32 | N34 | C33 | H35 | 180.0° | 90.5° |
| C32 | N34 | C33 | H33 | 60.0° | 29.4° |
| C32 | N34 | C33 | H34 | 60.0° | 149.4° |
| C32 | N34 | C35 | H36 | 179.6° | 179.5° |
| C37 | C32 | N34 | C35 | 0.5° | 0.8° |
| C32 | C37 | C39 | N40 | 0.3° | 0.5° |
| C32 | C37 | C39 | C36 | 179.8° | 179.5° |
| C32 | C37 | C39 | O38 | 179.7° | 179.6° |
| C32 | C37 | C36 | C35 | 0.3° | 0.4° |
| C32 | C37 | C36 | H37 | 179.7° | 179.6° |
| N34 | C35 | C36 | C37 | 0.0° | 0.1° |
| N34 | C35 | C36 | H36 | 180.0° | 180.0° |
| C35 | N34 | C33 | H35 | 0.6° | 90.1° |
| C35 | N34 | C33 | H33 | 119.4° | 149.9° |
| C35 | N34 | C33 | H34 | 120.6° | 29.9° |
| N34 | C35 | C36 | H37 | 180.0° | 180.0° |
| N40 | C41 | C43 | H41 | 120.0° | 120.0° |
| N40 | C41 | C43 | H42 | 120.0° | 120.0° |
| N40 | C41 | C43 | O42 | 51.4° | 60.0° |
| C41 | N40 | C39 | C37 | 179.9° | 180.0° |
| C41 | N40 | C39 | O38 | 0.2° | 0.1° |
| N40 | C41 | C43 | C29 | 171.4° | 180.0° |
| N40 | C41 | C43 | C44 | 69.1° | 60.0° |
| C41 | N40 | C30 | H30 | 0.2° | 0.1° |
| N40 | C41 | H41 | H42 | 119.8° | 120.0° |
| C39 | N40 | C41 | C43 | 104.1° | 90.1° |
| N40 | C39 | C37 | O38 | 180.0° | 179.9° |
| N40 | C39 | C37 | C36 | 179.5° | 180.0° |
| C39 | N40 | C30 | H30 | 179.7° | 179.9° |
| C39 | N40 | C41 | H41 | 15.9° | 30.0° |
| C39 | N40 | C41 | H42 | 135.8° | 150.0° |
| C41 | C43 | O42 | C29 | 119.7° | 120.0° |
| C41 | C43 | O42 | C44 | 120.5° | 120.0° |
| C41 | C43 | C29 | C44 | 120.9° | 120.0° |
| C41 | C43 | C29 | C28 | 173.8° | 178.6° |
| C41 | C43 | C44 | C45 | 177.4° | 178.6° |
| C41 | C43 | C29 | H3A | 66.4° | 58.7° |
| C41 | C43 | C29 | H3B | 53.9° | 61.4° |
| C43 | C41 | H41 | H42 | 119.8° | 120.0° |
| C41 | C43 | C44 | H44 | 57.3° | 58.6° |
| C41 | C43 | C44 | H45 | 62.6° | 61.4° |
| C41 | C43 | O42 | H49 | 180.0° | 60.0° |
| O42 | C43 | C29 | C44 | 121.2° | 120.0° |
| O42 | C43 | C29 | C28 | 55.9° | 58.6° |
| O42 | C43 | C44 | C45 | 59.1° | 58.6° |
| O42 | C43 | C29 | H3A | 175.8° | 61.3° |
| O42 | C43 | C29 | H3B | 63.9° | 178.6° |
| O42 | C43 | C41 | H41 | 171.4° | 180.0° |
| O42 | C43 | C41 | H42 | 68.6° | 60.0° |
| O42 | C43 | C44 | H44 | 60.9° | 61.4° |
| O42 | C43 | C44 | H45 | 179.2° | 178.6° |
| C39 | C37 | C36 | C35 | 179.8° | 180.0° |
| C39 | C37 | C36 | H37 | 0.2° | 0.0° |
| C36 | C37 | C39 | O38 | 0.5° | 0.0° |
| C37 | C36 | C35 | H37 | 180.0° | 180.0° |
| C37 | C36 | C35 | H36 | 180.0° | 180.0° |
| C43 | C29 | C28 | H3A | 119.9° | 120.0° |
| C43 | C29 | C28 | H3B | 119.9° | 120.0° |
| C43 | C29 | C28 | N46 | 57.8° | 54.7° |
| C29 | C43 | C44 | C45 | 62.0° | 61.4° |
| C43 | C29 | C28 | H28 | 177.7° | 174.4° |
| C43 | C29 | C28 | H29 | 62.1° | 65.2° |
| C43 | C29 | H3A | H3B | 120.3° | 120.1° |
| C29 | C43 | C41 | H41 | 68.6° | 60.0° |
| C29 | C43 | C41 | H42 | 51.3° | 60.0° |
| C29 | C43 | C44 | H44 | 177.9° | 178.6° |
| C29 | C43 | C44 | H45 | 58.0° | 58.6° |
| C29 | C43 | O42 | H49 | 60.4° | 180.0° |
| C28 | C29 | C43 | C44 | 65.3° | 61.4° |
| C29 | C28 | N46 | H28 | 119.9° | 119.7° |
| C29 | C28 | N46 | H29 | 119.9° | 120.0° |
| C29 | C28 | N46 | C45 | 51.8° | 53.6° |
| C29 | C28 | N46 | C47 | 125.4° | 126.4° |
| C29 | C28 | H28 | H29 | 120.3° | 120.4° |
| C28 | C29 | H3A | H3B | 120.3° | 120.0° |
| C43 | C44 | C45 | H44 | 120.0° | 120.0° |
| C43 | C44 | C45 | H45 | 120.0° | 120.0° |
| C43 | C44 | C45 | N46 | 52.5° | 54.7° |
| C44 | C43 | C29 | H3A | 54.6° | 178.7° |
| C44 | C43 | C29 | H3B | 174.8° | 58.6° |
| C44 | C43 | C41 | H41 | 51.0° | 60.1° |
| C44 | C43 | C41 | H42 | 170.9° | 180.0° |
| C43 | C44 | H44 | H45 | 119.9° | 120.0° |
| C43 | C44 | C45 | H47 | 67.7° | 65.2° |
| C43 | C44 | C45 | H46 | 172.6° | 174.6° |
| C44 | C43 | O42 | H49 | 59.5° | 60.0° |
| C28 | N46 | C45 | C44 | 49.1° | 53.6° |
| C28 | N46 | C45 | C47 | 176.9° | 180.0° |
| C28 | N46 | C47 | O27 | 2.0° | 3.5° |
| C28 | N46 | C47 | C48 | 175.6° | 176.5° |
| N46 | C28 | H28 | H29 | 120.3° | 120.3° |
| N46 | C28 | C29 | H3A | 62.1° | 174.7° |
| N46 | C28 | C29 | H3B | 177.7° | 65.3° |
| C28 | N46 | C45 | H47 | 71.1° | 66.2° |
| C28 | N46 | C45 | H46 | 169.2° | 173.5° |
| C44 | C45 | N46 | H47 | 120.2° | 119.8° |
| C44 | C45 | N46 | H46 | 120.1° | 119.8° |
| C44 | C45 | N46 | C47 | 127.8° | 126.4° |
| C45 | C44 | H44 | H45 | 119.9° | 120.1° |
| C44 | C45 | H47 | H46 | 119.6° | 120.3° |
| C45 | N46 | C47 | O27 | 178.9° | 176.5° |
| C45 | N46 | C47 | C48 | 1.4° | 3.6° |
| C45 | N46 | C28 | H28 | 171.7° | 173.4° |
| C45 | N46 | C28 | H29 | 68.1° | 66.3° |
| N46 | C45 | C44 | H44 | 172.5° | 174.6° |
| N46 | C45 | C44 | H45 | 67.5° | 65.3° |
| N46 | C45 | H47 | H46 | 119.6° | 120.4° |
| N46 | C47 | O27 | C48 | 177.5° | 179.9° |
| N46 | C47 | C48 | C26 | 115.9° | 153.9° |
| N46 | C47 | C48 | C01 | 122.2° | 86.1° |
| C47 | N46 | C28 | H28 | 5.4° | 6.6° |
| C47 | N46 | C28 | H29 | 114.7° | 113.6° |
| C47 | N46 | C45 | H47 | 112.0° | 113.8° |
| C47 | N46 | C45 | H46 | 7.7° | 6.6° |
| N46 | C47 | C48 | H48 | 2.8° | 33.9° |
| O27 | C47 | C48 | C26 | 61.7° | 26.1° |
| O27 | C47 | C48 | C01 | 60.2° | 94.0° |
| O27 | C47 | C48 | H48 | 179.6° | 146.1° |
| C47 | C48 | C26 | C25 | 61.0° | 58.7° |
| C47 | C48 | C26 | C01 | 119.5° | 120.0° |
| C47 | C48 | C26 | H48 | 118.7° | 120.0° |
| C47 | C48 | C01 | H48 | 119.4° | 120.0° |
| C47 | C48 | C26 | C19 | 174.8° | 178.6° |
| C47 | C48 | C01 | C02 | 158.3° | 178.6° |
| C47 | C48 | C01 | H01 | 37.8° | 58.7° |
| C47 | C48 | C01 | H02 | 81.2° | 61.4° |
| C47 | C48 | C26 | H26 | 58.9° | 61.4° |
| C23 | C22 | C21 | H22 | 180.0° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C23 | C22 | C21 | C20 | 0.3° | 0.0° |
| C22 | C23 | C24 | C25 | 0.7° | 0.4° |
| C23 | C22 | C21 | H21 | 179.7° | 180.0° |
| C22 | C23 | C24 | H24 | 179.3° | 180.0° |
| C21 | C22 | C23 | C24 | 0.5° | 0.2° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | C25 | 0.4° | 0.0° |
| C22 | C21 | C20 | H20 | 179.6° | 179.7° |
| C21 | C22 | C23 | H23 | 179.6° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.5° |
| C23 | C24 | C25 | C20 | 0.8° | 0.5° |
| C23 | C24 | C25 | C26 | 179.3° | 179.5° |
| C24 | C23 | C22 | H22 | 179.5° | 179.9° |
| C21 | C20 | C25 | C24 | 0.7° | 0.3° |
| C21 | C20 | C25 | H20 | 180.0° | 179.7° |
| C21 | C20 | C25 | C26 | 179.5° | 179.7° |
| C20 | C21 | C22 | H22 | 179.7° | 179.8° |
| C24 | C25 | C20 | C26 | 179.8° | 179.9° |
| C24 | C25 | C26 | C48 | 117.8° | 60.1° |
| C24 | C25 | C26 | C19 | 119.0° | 59.8° |
| C24 | C25 | C20 | H20 | 179.3° | 180.0° |
| C24 | C25 | C26 | H26 | 1.0° | 179.9° |
| C25 | C24 | C23 | H23 | 179.3° | 179.8° |
| C20 | C25 | C26 | C48 | 62.4° | 120.0° |
| C20 | C25 | C26 | C19 | 60.9° | 120.2° |
| C25 | C20 | C21 | H21 | 179.6° | 180.0° |
| C20 | C25 | C24 | H24 | 179.2° | 180.0° |
| C20 | C25 | C26 | H26 | 178.8° | 0.1° |
| C25 | C26 | C48 | C19 | 124.2° | 120.0° |
| C25 | C26 | C48 | H26 | 119.9° | 120.1° |
| C25 | C26 | C48 | C01 | 179.5° | 178.7° |
| C25 | C26 | C19 | H26 | 118.4° | 120.1° |
| C25 | C26 | C19 | N18 | 164.9° | 174.6° |
| C26 | C25 | C20 | H20 | 0.5° | 0.0° |
| C26 | C25 | C24 | H24 | 0.7° | 0.0° |
| C25 | C26 | C19 | H2A | 75.8° | 54.8° |
| C25 | C26 | C19 | H19 | 45.7° | 65.6° |
| C25 | C26 | C48 | H48 | 57.7° | 61.3° |
| C26 | C48 | C01 | H48 | 121.6° | 120.0° |
| C48 | C26 | C19 | H26 | 115.2° | 119.9° |
| C26 | C48 | C01 | C02 | 39.3° | 61.4° |
| C48 | C26 | C19 | N18 | 68.6° | 54.6° |
| C26 | C48 | C01 | H01 | 81.2° | 178.7° |
| C26 | C48 | C01 | H02 | 159.9° | 58.6° |
| C48 | C26 | C19 | H2A | 50.6° | 65.2° |
| C48 | C26 | C19 | H19 | 172.1° | 174.5° |
| C01 | C48 | C26 | C19 | 55.2° | 61.3° |
| C48 | C01 | C02 | H01 | 120.6° | 119.9° |
| C48 | C01 | C02 | H02 | 120.5° | 120.0° |
| C48 | C01 | C02 | N18 | 39.0° | 54.7° |
| C48 | C01 | H01 | H02 | 118.4° | 120.1° |
| C48 | C01 | C02 | H03 | 159.4° | 174.4° |
| C48 | C01 | C02 | H04 | 81.3° | 65.2° |
| C01 | C48 | C26 | H26 | 60.7° | 58.6° |
| C26 | C19 | N18 | H2A | 119.3° | 119.8° |
| C26 | C19 | N18 | H19 | 119.3° | 119.9° |
| C26 | C19 | N18 | C02 | 71.3° | 53.6° |
| C26 | C19 | N18 | C17 | 102.0° | 126.4° |
| C26 | C19 | H2A | H19 | 122.1° | 120.4° |
| C19 | C26 | C48 | H48 | 66.5° | 58.6° |
| C01 | C02 | N18 | C19 | 55.9° | 53.7° |
| C01 | C02 | N18 | H03 | 120.3° | 119.8° |
| C01 | C02 | N18 | H04 | 120.3° | 119.9° |
| C01 | C02 | N18 | C17 | 117.1° | 126.4° |
| C02 | C01 | H01 | H02 | 118.3° | 120.1° |
| C01 | C02 | H03 | H04 | 119.0° | 120.4° |
| C02 | C01 | C48 | H48 | 82.3° | 58.6° |
| C19 | N18 | C02 | C17 | 173.0° | 179.9° |
| C19 | N18 | C17 | O03 | 4.6° | 176.1° |
| C19 | N18 | C17 | C16 | 178.4° | 4.0° |
| C19 | N18 | C02 | H03 | 176.2° | 173.4° |
| C19 | N18 | C02 | H04 | 64.4° | 66.2° |
| N18 | C19 | H2A | H19 | 122.1° | 120.3° |
| N18 | C19 | C26 | H26 | 46.5° | 65.3° |
| C02 | N18 | C17 | O03 | 177.0° | 3.9° |
| C02 | N18 | C17 | C16 | 9.2° | 176.1° |
| N18 | C02 | C01 | H01 | 81.5° | 174.6° |
| N18 | C02 | C01 | H02 | 159.6° | 65.3° |
| N18 | C02 | H03 | H04 | 119.0° | 120.3° |
| C02 | N18 | C19 | H2A | 47.9° | 66.1° |
| C02 | N18 | C19 | H19 | 169.4° | 173.5° |
| N18 | C17 | O03 | C16 | 174.1° | 180.0° |
| N18 | C17 | C16 | S04 | 130.7° | 43.6° |
| N18 | C17 | C16 | C15 | 53.6° | 136.4° |
| C17 | N18 | C02 | H03 | 3.2° | 6.6° |
| C17 | N18 | C02 | H04 | 122.6° | 113.8° |
| C17 | N18 | C19 | H2A | 138.7° | 113.8° |
| C17 | N18 | C19 | H19 | 17.3° | 6.6° |
| O03 | C17 | C16 | S04 | 55.1° | 136.5° |
| O03 | C17 | C16 | C15 | 120.7° | 43.5° |
| C17 | C16 | S04 | C15 | 176.2° | 180.0° |
| C17 | C16 | S04 | C13 | 177.9° | 179.8° |
| C17 | C16 | C15 | C14 | 178.2° | 180.0° |
| C17 | C16 | C15 | H15 | 1.8° | 0.3° |
| S04 | C16 | C15 | C14 | 2.0° | 0.0° |
| C16 | S04 | C13 | C12 | 177.5° | 179.9° |
| C16 | S04 | C13 | C14 | 1.0° | 0.3° |
| S04 | C16 | C15 | H15 | 178.0° | 179.7° |
| C13 | S04 | C16 | C15 | 1.7° | 0.2° |
| S04 | C13 | C12 | C07 | 32.8° | 129.9° |
| S04 | C13 | C14 | C15 | 0.1° | 0.3° |
| S04 | C13 | C12 | C14 | 175.8° | 179.7° |
| S04 | C13 | C12 | C11 | 141.5° | 49.8° |
| S04 | C13 | C14 | H14 | 179.9° | 179.6° |
| C16 | C15 | C14 | H15 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 1.2° | 0.2° |
| C16 | C15 | C14 | H14 | 178.8° | 179.8° |
| C08 | C07 | C12 | H08 | 180.0° | 179.7° |
| C07 | C08 | N09 | H09 | 180.0° | 179.6° |
| C08 | C07 | C12 | C13 | 177.7° | 180.0° |
| C08 | C07 | C12 | C11 | 3.2° | 0.3° |
| C07 | C08 | N09 | C10 | 0.0° | 0.1° |
| C12 | C07 | C08 | N09 | 1.6° | 0.4° |
| C07 | C12 | C13 | C11 | 174.3° | 179.7° |
| C07 | C12 | C13 | C14 | 151.3° | 50.3° |
| C07 | C12 | C11 | C10 | 3.5° | 0.0° |
| C07 | C12 | C11 | O06 | 178.5° | 180.0° |
| C12 | C07 | C08 | H09 | 178.4° | 180.0° |
| C08 | N09 | C10 | C11 | 0.1° | 0.2° |
| C08 | N09 | C10 | H10 | 179.8° | 180.0° |
| N09 | C08 | C07 | H08 | 178.4° | 180.0° |
| C15 | C14 | C13 | C12 | 176.4° | 179.9° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 177.9° | 179.7° |
| C13 | C12 | C11 | O06 | 4.1° | 0.3° |
| C13 | C12 | C07 | H08 | 2.3° | 0.3° |
| C12 | C13 | C14 | H14 | 3.6° | 0.1° |
| C14 | C13 | C12 | C11 | 34.4° | 130.0° |
| C13 | C14 | C15 | H15 | 178.8° | 180.0° |
| C12 | C11 | C10 | N09 | 1.9° | 0.2° |
| C12 | C11 | C10 | O06 | 178.0° | 180.0° |
| C12 | C11 | O06 | C05 | 114.6° | 180.0° |
| C12 | C11 | C10 | H10 | 178.1° | 180.0° |
| C11 | C12 | C07 | H08 | 176.8° | 180.0° |
| N09 | C10 | C11 | H10 | 180.0° | 179.8° |
| N09 | C10 | C11 | O06 | 179.9° | 179.7° |
| C10 | N09 | C08 | H09 | 180.0° | 179.7° |
| C10 | C11 | O06 | C05 | 67.3° | 0.1° |
| O06 | C11 | C10 | H10 | 0.1° | 0.1° |
| C11 | O06 | C05 | H07 | 180.0° | 180.0° |
| C11 | O06 | C05 | H05 | 60.0° | 59.9° |
| C11 | O06 | C05 | H06 | 60.0° | 60.0° |
| O06 | C05 | H07 | H05 | 120.0° | 120.0° |
| O06 | C05 | H07 | H06 | 120.0° | 120.0° |
| O06 | C05 | H05 | H06 | 120.0° | 120.0° |
| H15 | C15 | C14 | H14 | 1.2° | 0.0° |
| H20 | C20 | C21 | H21 | 0.4° | 0.3° |
| H21 | C21 | C22 | H22 | 0.3° | 0.3° |
| H24 | C24 | C23 | H23 | 0.7° | 0.2° |
| H28 | C28 | C29 | H3A | 57.8° | 65.6° |
| H28 | C28 | C29 | H3B | 62.4° | 54.4° |
| H29 | C28 | C29 | H3A | 178.0° | 54.7° |
| H29 | C28 | C29 | H3B | 57.8° | 174.8° |
| H01 | C01 | C02 | H03 | 38.8° | 65.7° |
| H01 | C01 | C02 | H04 | 158.2° | 54.7° |
| H01 | C01 | C48 | H48 | 157.1° | 61.3° |
| H02 | C01 | C02 | H03 | 80.1° | 54.4° |
| H02 | C01 | C02 | H04 | 39.3° | 174.8° |
| H02 | C01 | C48 | H48 | 38.2° | 178.6° |
| H07 | C05 | H05 | H06 | 120.0° | 120.0° |
| H08 | C07 | C08 | H09 | 1.6° | 0.4° |
| H2A | C19 | C26 | H26 | 165.8° | 174.9° |
| H19 | C19 | C26 | H26 | 72.7° | 54.5° |
| H35 | C33 | H33 | H34 | 120.0° | 120.0° |
| H37 | C36 | C35 | H36 | 0.0° | 0.0° |
| H44 | C44 | C45 | H47 | 52.4° | 54.8° |
| H44 | C44 | C45 | H46 | 67.4° | 65.5° |
| H45 | C44 | C45 | H47 | 172.3° | 174.8° |
| H45 | C44 | C45 | H46 | 52.6° | 54.6° |
| H48 | C48 | C26 | H26 | 177.6° | 178.5° |
| H22 | C22 | C23 | H23 | 0.5° | 0.2° |
