G0W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | N03 | sing | 1.47Å | 1.58Å | |
| N03 | C04 | sing | 1.47Å | 1.55Å | |
| N03 | C06 | sing | 1.47Å | 1.56Å | |
| N03 | C40 | sing | 1.47Å | 1.63Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.57Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| C08 | C09 | sing | 1.53Å | 1.56Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | N11 | sing | 1.47Å | 1.50Å | |
| N11 | C12 | sing | 1.37Å | 1.42Å | |
| N11 | C38 | sing | 1.34Å | 1.44Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C14 | doub | 1.35Å | 1.36Å | |
| C14 | C15 | sing | 1.42Å | 1.47Å | |
| C15 | O16 | doub | 1.22Å | 1.22Å | |
| C15 | N17 | sing | 1.35Å | 1.44Å | |
| N17 | C18 | sing | 1.46Å | 1.50Å | |
| N17 | C38 | sing | 1.35Å | 1.40Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C20 | C21 | sing | 1.53Å | 1.57Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | N23 | sing | 1.47Å | 1.61Å | |
| N23 | C24 | sing | 1.47Å | 1.56Å | |
| N23 | C26 | sing | 1.47Å | 1.57Å | |
| N23 | C28 | sing | 1.47Å | 1.56Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.43Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | N35 | sing | 1.48Å | 1.52Å | |
| N35 | O36 | doub | 1.22Å | 1.23Å | |
| N35 | O37 | sing | 1.22Å | 1.19Å | |
| C38 | O39 | doub | 1.22Å | 1.23Å | |
| C40 | C41 | sing | 1.51Å | 1.54Å | |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C46 | sing | 1.38Å | 1.43Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C45 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C46 | N47 | sing | 1.48Å | 1.53Å | |
| N47 | O48 | doub | 1.22Å | 1.22Å | |
| N47 | O49 | sing | 1.22Å | 1.20Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H02A | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H05A | sing | 1.09Å | 1.10Å | |
| C05 | H05B | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C06 | H06A | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 113.2° | 109.5° |
| C02 | C01 | H01 | 109.5° | 109.5° |
| C02 | C01 | H01A | 109.5° | 109.5° |
| C02 | C01 | H01B | 109.4° | 109.5° |
| C01 | C02 | H02 | 108.5° | 109.5° |
| C01 | C02 | H02A | 108.5° | 109.4° |
| C02 | N03 | C04 | 109.0° | 109.5° |
| C02 | N03 | C06 | 107.9° | 109.5° |
| C02 | N03 | C40 | 112.1° | 109.4° |
| N03 | C02 | H02 | 108.5° | 109.5° |
| N03 | C02 | H02A | 108.5° | 109.5° |
| C04 | N03 | C06 | 109.7° | 109.5° |
| C04 | N03 | C40 | 105.8° | 109.5° |
| N03 | C04 | C05 | 117.4° | 109.5° |
| N03 | C04 | H04 | 107.5° | 109.5° |
| N03 | C04 | H04A | 107.5° | 109.5° |
| C06 | N03 | C40 | 112.3° | 109.5° |
| N03 | C06 | C07 | 116.9° | 109.5° |
| N03 | C06 | H06 | 107.6° | 109.5° |
| N03 | C06 | H06A | 107.6° | 109.5° |
| N03 | C40 | C41 | 119.6° | 109.5° |
| N03 | C40 | H40 | 106.9° | 109.5° |
| N03 | C40 | H40A | 106.9° | 109.5° |
| C05 | C04 | H04 | 107.5° | 109.4° |
| C05 | C04 | H04A | 107.5° | 109.4° |
| C04 | C05 | H05 | 109.5° | 109.5° |
| C04 | C05 | H05A | 109.5° | 109.5° |
| C04 | C05 | H05B | 109.5° | 109.5° |
| C06 | C07 | C08 | 116.6° | 109.5° |
| C07 | C06 | H06 | 107.6° | 109.4° |
| C07 | C06 | H06A | 107.6° | 109.5° |
| C06 | C07 | H07 | 107.7° | 109.5° |
| C06 | C07 | H07A | 107.6° | 109.4° |
| C07 | C08 | C09 | 116.3° | 109.5° |
| C08 | C07 | H07 | 107.6° | 109.5° |
| C08 | C07 | H07A | 107.7° | 109.5° |
| C07 | C08 | H08 | 107.7° | 109.5° |
| C07 | C08 | H08A | 107.8° | 109.5° |
| C08 | C09 | C10 | 115.9° | 109.5° |
| C09 | C08 | H08 | 107.8° | 109.4° |
| C09 | C08 | H08A | 107.7° | 109.5° |
| C08 | C09 | H09 | 107.8° | 109.4° |
| C08 | C09 | H09A | 107.8° | 109.5° |
| C09 | C10 | N11 | 114.2° | 109.5° |
| C10 | C09 | H09 | 107.8° | 109.4° |
| C10 | C09 | H09A | 107.8° | 109.5° |
| C09 | C10 | H10 | 108.3° | 109.4° |
| C09 | C10 | H10A | 108.3° | 109.4° |
| C10 | N11 | C12 | 123.8° | 119.6° |
| C10 | N11 | C38 | 116.2° | 119.7° |
| N11 | C10 | H10 | 108.3° | 109.5° |
| N11 | C10 | H10A | 108.3° | 109.5° |
| C12 | N11 | C38 | 119.9° | 120.7° |
| N11 | C12 | C13 | 118.4° | 120.2° |
| N11 | C12 | C14 | 118.5° | 119.6° |
| N11 | C38 | N17 | 121.8° | 120.9° |
| N11 | C38 | O39 | 117.7° | 119.6° |
| C13 | C12 | C14 | 123.1° | 120.1° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H13A | 109.5° | 109.5° |
| C12 | C13 | H13B | 109.4° | 109.4° |
| C12 | C14 | C15 | 123.9° | 119.1° |
| C12 | C14 | H14 | 118.0° | 120.5° |
| C14 | C15 | O16 | 124.7° | 120.3° |
| C14 | C15 | N17 | 116.8° | 119.4° |
| C15 | C14 | H14 | 118.0° | 120.4° |
| O16 | C15 | N17 | 118.5° | 120.3° |
| C15 | N17 | C18 | 121.2° | 119.9° |
| C15 | N17 | C38 | 119.1° | 120.3° |
| C18 | N17 | C38 | 119.7° | 119.9° |
| N17 | C18 | C19 | 113.2° | 109.5° |
| N17 | C18 | H18 | 108.5° | 109.5° |
| N17 | C18 | H18A | 108.6° | 109.5° |
| N17 | C38 | O39 | 120.6° | 119.5° |
| C18 | C19 | C20 | 114.4° | 109.5° |
| C19 | C18 | H18 | 108.5° | 109.5° |
| C19 | C18 | H18A | 108.5° | 109.5° |
| C18 | C19 | H19 | 108.2° | 109.5° |
| C18 | C19 | H19A | 108.2° | 109.5° |
| C19 | C20 | C21 | 118.4° | 109.5° |
| C20 | C19 | H19 | 108.2° | 109.5° |
| C20 | C19 | H19A | 108.2° | 109.5° |
| C19 | C20 | H20 | 107.2° | 109.4° |
| C19 | C20 | H20A | 107.2° | 109.5° |
| C20 | C21 | C22 | 116.7° | 109.5° |
| C21 | C20 | H20 | 107.2° | 109.5° |
| C21 | C20 | H20A | 107.2° | 109.5° |
| C20 | C21 | H21 | 107.6° | 109.5° |
| C20 | C21 | H21A | 107.6° | 109.5° |
| C21 | C22 | N23 | 117.1° | 109.5° |
| C22 | C21 | H21 | 107.7° | 109.5° |
| C22 | C21 | H21A | 107.6° | 109.5° |
| C21 | C22 | H22 | 107.5° | 109.5° |
| C21 | C22 | H22A | 107.5° | 109.5° |
| C22 | N23 | C24 | 107.2° | 109.4° |
| C22 | N23 | C26 | 110.1° | 109.5° |
| C22 | N23 | C28 | 111.0° | 109.5° |
| N23 | C22 | H22 | 107.5° | 109.5° |
| N23 | C22 | H22A | 107.5° | 109.5° |
| C24 | N23 | C26 | 109.4° | 109.5° |
| C24 | N23 | C28 | 109.3° | 109.4° |
| N23 | C24 | C25 | 113.1° | 109.5° |
| N23 | C24 | H24 | 108.6° | 109.5° |
| N23 | C24 | H24A | 108.6° | 109.4° |
| C26 | N23 | C28 | 109.8° | 109.5° |
| N23 | C26 | C27 | 114.9° | 109.5° |
| N23 | C26 | H26 | 108.1° | 109.5° |
| N23 | C26 | H26A | 108.1° | 109.5° |
| N23 | C28 | C29 | 121.1° | 109.5° |
| N23 | C28 | H28 | 106.5° | 109.5° |
| N23 | C28 | H28A | 106.5° | 109.5° |
| C25 | C24 | H24 | 108.5° | 109.5° |
| C25 | C24 | H24A | 108.5° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.4° |
| C24 | C25 | H25A | 109.4° | 109.4° |
| C24 | C25 | H25B | 109.5° | 109.5° |
| C27 | C26 | H26 | 108.1° | 109.4° |
| C27 | C26 | H26A | 108.1° | 109.5° |
| C26 | C27 | H27 | 109.5° | 109.5° |
| C26 | C27 | H27A | 109.5° | 109.4° |
| C26 | C27 | H27B | 109.5° | 109.5° |
| C28 | C29 | C30 | 120.4° | 120.0° |
| C28 | C29 | C34 | 124.0° | 120.0° |
| C29 | C28 | H28 | 106.5° | 109.5° |
| C29 | C28 | H28A | 106.5° | 109.5° |
| C30 | C29 | C34 | 115.6° | 120.0° |
| C29 | C30 | C31 | 123.8° | 120.0° |
| C29 | C30 | H30 | 118.1° | 120.0° |
| C29 | C34 | C33 | 121.1° | 120.0° |
| C29 | C34 | N35 | 125.1° | 120.0° |
| C30 | C31 | C32 | 119.3° | 120.0° |
| C31 | C30 | H30 | 118.1° | 120.0° |
| C30 | C31 | H31 | 120.3° | 120.0° |
| C31 | C32 | C33 | 119.6° | 120.0° |
| C32 | C31 | H31 | 120.4° | 120.0° |
| C31 | C32 | H32 | 120.2° | 120.0° |
| C32 | C33 | C34 | 120.6° | 120.0° |
| C33 | C32 | H32 | 120.2° | 120.0° |
| C32 | C33 | H33 | 119.7° | 120.0° |
| C33 | C34 | N35 | 113.7° | 120.0° |
| C34 | C33 | H33 | 119.7° | 120.0° |
| C34 | N35 | O36 | 115.1° | 120.0° |
| C34 | N35 | O37 | 124.3° | 120.0° |
| O36 | N35 | O37 | 120.6° | 120.0° |
| C40 | C41 | C42 | 119.9° | 120.0° |
| C40 | C41 | C46 | 125.3° | 120.0° |
| C41 | C40 | H40 | 106.9° | 109.4° |
| C41 | C40 | H40A | 106.9° | 109.5° |
| C42 | C41 | C46 | 114.8° | 120.0° |
| C41 | C42 | C43 | 123.3° | 120.0° |
| C41 | C42 | H42 | 118.4° | 120.0° |
| C41 | C46 | C45 | 122.3° | 120.0° |
| C41 | C46 | N47 | 124.9° | 120.0° |
| C42 | C43 | C44 | 120.3° | 120.0° |
| C43 | C42 | H42 | 118.3° | 120.0° |
| C42 | C43 | H43 | 119.9° | 120.0° |
| C43 | C44 | C45 | 119.1° | 120.0° |
| C44 | C43 | H43 | 119.8° | 120.0° |
| C43 | C44 | H44 | 120.4° | 120.0° |
| C44 | C45 | C46 | 120.2° | 120.0° |
| C45 | C44 | H44 | 120.5° | 120.0° |
| C44 | C45 | H45 | 119.9° | 120.0° |
| C45 | C46 | N47 | 112.8° | 120.0° |
| C46 | C45 | H45 | 119.9° | 120.0° |
| C46 | N47 | O48 | 114.5° | 120.0° |
| C46 | N47 | O49 | 123.7° | 120.0° |
| O48 | N47 | O49 | 121.9° | 120.1° |
| H01 | C01 | H01A | 109.5° | 109.4° |
| H01 | C01 | H01B | 109.4° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.5° |
| H02 | C02 | H02A | 109.5° | 109.5° |
| H04 | C04 | H04A | 109.5° | 109.5° |
| H05 | C05 | H05A | 109.5° | 109.5° |
| H05 | C05 | H05B | 109.5° | 109.5° |
| H05A | C05 | H05B | 109.5° | 109.5° |
| H06 | C06 | H06A | 109.5° | 109.4° |
| H07 | C07 | H07A | 109.5° | 109.5° |
| H08 | C08 | H08A | 109.5° | 109.5° |
| H09 | C09 | H09A | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.4° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.4° |
| H21 | C21 | H21A | 109.4° | 109.4° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H25B | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.4° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.4° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.4° |
| H40 | C40 | H40A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | H02 | 120.6° | 120.0° |
| C01 | C02 | N03 | H02A | 120.6° | 120.0° |
| C01 | C02 | N03 | C04 | 108.5° | 175.2° |
| C01 | C02 | N03 | C06 | 132.4° | 64.8° |
| C01 | C02 | N03 | C40 | 8.2° | 55.2° |
| C02 | C01 | H01 | H01A | 120.0° | 120.0° |
| C02 | C01 | H01 | H01B | 120.0° | 120.0° |
| C02 | C01 | H01A | H01B | 120.0° | 120.0° |
| C01 | C02 | H02 | H02A | 118.3° | 120.0° |
| C02 | N03 | C04 | C06 | 117.9° | 120.0° |
| C02 | N03 | C04 | C40 | 120.8° | 120.0° |
| C02 | N03 | C06 | C40 | 124.1° | 120.0° |
| C02 | N03 | C04 | C05 | 12.6° | 176.0° |
| C02 | N03 | C06 | C07 | 172.1° | 60.0° |
| C02 | N03 | C40 | C41 | 105.1° | 59.9° |
| N03 | C02 | C01 | H01 | 180.0° | 60.0° |
| N03 | C02 | C01 | H01A | 60.0° | 180.0° |
| N03 | C02 | C01 | H01B | 60.0° | 60.0° |
| N03 | C02 | H02 | H02A | 118.3° | 120.0° |
| C02 | N03 | C04 | H04 | 108.5° | 56.0° |
| C02 | N03 | C04 | H04A | 133.8° | 64.0° |
| C02 | N03 | C06 | H06 | 66.8° | 60.0° |
| C02 | N03 | C06 | H06A | 51.1° | 180.0° |
| C02 | N03 | C40 | H40 | 133.5° | 179.8° |
| C02 | N03 | C40 | H40A | 16.3° | 60.2° |
| C04 | N03 | C06 | C40 | 117.3° | 120.0° |
| N03 | C04 | C05 | H04 | 121.1° | 120.0° |
| N03 | C04 | C05 | H04A | 121.2° | 120.0° |
| C04 | N03 | C06 | C07 | 69.3° | 60.0° |
| C04 | N03 | C40 | C41 | 13.6° | 60.1° |
| C04 | N03 | C02 | H02 | 12.0° | 55.2° |
| C04 | N03 | C02 | H02A | 130.9° | 64.8° |
| N03 | C04 | H04 | H04A | 116.4° | 120.0° |
| N03 | C04 | C05 | H05 | 180.0° | 65.0° |
| N03 | C04 | C05 | H05A | 60.0° | 55.0° |
| N03 | C04 | C05 | H05B | 60.0° | 175.0° |
| C04 | N03 | C06 | H06 | 51.8° | 180.0° |
| C04 | N03 | C06 | H06A | 169.7° | 60.0° |
| C04 | N03 | C40 | H40 | 107.8° | 59.9° |
| C04 | N03 | C40 | H40A | 135.1° | 179.8° |
| C06 | N03 | C04 | C05 | 130.5° | 64.0° |
| N03 | C06 | C07 | H06 | 121.1° | 120.0° |
| N03 | C06 | C07 | H06A | 121.1° | 120.1° |
| N03 | C06 | C07 | C08 | 107.9° | 180.0° |
| C06 | N03 | C40 | C41 | 133.2° | 179.9° |
| C06 | N03 | C02 | H02 | 107.0° | 175.2° |
| C06 | N03 | C02 | H02A | 11.9° | 55.2° |
| C06 | N03 | C04 | H04 | 9.4° | 176.0° |
| C06 | N03 | C04 | H04A | 108.3° | 56.0° |
| N03 | C06 | H06 | H06A | 116.7° | 120.1° |
| N03 | C06 | C07 | H07 | 131.1° | 60.0° |
| N03 | C06 | C07 | H07A | 13.1° | 60.0° |
| C06 | N03 | C40 | H40 | 11.8° | 60.1° |
| C06 | N03 | C40 | H40A | 105.3° | 59.8° |
| C40 | N03 | C04 | C05 | 108.1° | 56.0° |
| C40 | N03 | C06 | C07 | 48.1° | 180.0° |
| N03 | C40 | C41 | H40 | 121.4° | 120.0° |
| N03 | C40 | C41 | H40A | 121.5° | 120.1° |
| N03 | C40 | C41 | C42 | 73.8° | 0.4° |
| N03 | C40 | C41 | C46 | 106.5° | 179.8° |
| C40 | N03 | C02 | H02 | 128.8° | 64.8° |
| C40 | N03 | C02 | H02A | 112.3° | 175.2° |
| C40 | N03 | C04 | H04 | 130.7° | 64.0° |
| C40 | N03 | C04 | H04A | 13.0° | 176.0° |
| C40 | N03 | C06 | H06 | 169.1° | 60.0° |
| C40 | N03 | C06 | H06A | 73.0° | 60.0° |
| N03 | C40 | H40 | H40A | 115.4° | 120.0° |
| C05 | C04 | H04 | H04A | 116.4° | 120.0° |
| C04 | C05 | H05 | H05A | 120.0° | 120.0° |
| C04 | C05 | H05 | H05B | 120.0° | 120.0° |
| C04 | C05 | H05A | H05B | 120.0° | 120.0° |
| C06 | C07 | C08 | H07 | 121.0° | 120.0° |
| C06 | C07 | C08 | H07A | 121.0° | 120.0° |
| C06 | C07 | C08 | C09 | 143.8° | 180.0° |
| C07 | C06 | H06 | H06A | 116.6° | 119.9° |
| C06 | C07 | H07 | H07A | 116.7° | 120.0° |
| C06 | C07 | C08 | H08 | 22.8° | 60.0° |
| C06 | C07 | C08 | H08A | 95.2° | 60.0° |
| C07 | C08 | C09 | H08 | 121.0° | 120.0° |
| C07 | C08 | C09 | H08A | 121.0° | 120.0° |
| C07 | C08 | C09 | C10 | 81.0° | 180.0° |
| C08 | C07 | C06 | H06 | 13.1° | 60.0° |
| C08 | C07 | C06 | H06A | 131.0° | 59.9° |
| C08 | C07 | H07 | H07A | 116.8° | 120.0° |
| C07 | C08 | H08 | H08A | 116.9° | 120.1° |
| C07 | C08 | C09 | H09 | 40.0° | 60.0° |
| C07 | C08 | C09 | H09A | 158.1° | 60.0° |
| C08 | C09 | C10 | H09 | 120.9° | 120.0° |
| C08 | C09 | C10 | H09A | 120.9° | 120.0° |
| C08 | C09 | C10 | N11 | 149.3° | 180.0° |
| C09 | C08 | C07 | H07 | 95.1° | 60.0° |
| C09 | C08 | C07 | H07A | 22.8° | 60.0° |
| C09 | C08 | H08 | H08A | 116.9° | 120.0° |
| C08 | C09 | H09 | H09A | 117.1° | 120.0° |
| C08 | C09 | C10 | H10 | 28.6° | 60.0° |
| C08 | C09 | C10 | H10A | 90.0° | 59.9° |
| C09 | C10 | N11 | H10 | 120.7° | 120.0° |
| C09 | C10 | N11 | H10A | 120.7° | 120.0° |
| C09 | C10 | N11 | C12 | 94.2° | 90.0° |
| C09 | C10 | N11 | C38 | 86.1° | 90.3° |
| C10 | C09 | C08 | H08 | 158.1° | 60.0° |
| C10 | C09 | C08 | H08A | 40.0° | 60.0° |
| C10 | C09 | H09 | H09A | 117.1° | 120.0° |
| C09 | C10 | H10 | H10A | 117.8° | 119.9° |
| C10 | N11 | C12 | C38 | 179.7° | 179.7° |
| C10 | N11 | C12 | C13 | 0.3° | 0.0° |
| C10 | N11 | C12 | C14 | 179.9° | 180.0° |
| C10 | N11 | C38 | N17 | 179.7° | 179.7° |
| C10 | N11 | C38 | O39 | 0.3° | 0.1° |
| N11 | C10 | C09 | H09 | 89.8° | 60.0° |
| N11 | C10 | C09 | H09A | 28.4° | 60.0° |
| N11 | C10 | H10 | H10A | 117.9° | 120.1° |
| N11 | C12 | C13 | C14 | 179.8° | 180.0° |
| N11 | C12 | C14 | C15 | 0.2° | 0.0° |
| C12 | N11 | C38 | N17 | 0.0° | 0.6° |
| C12 | N11 | C38 | O39 | 180.0° | 179.7° |
| C12 | N11 | C10 | H10 | 145.1° | 30.0° |
| C12 | N11 | C10 | H10A | 26.5° | 150.0° |
| N11 | C12 | C13 | H13 | 180.0° | 90.0° |
| N11 | C12 | C13 | H13A | 60.0° | 149.9° |
| N11 | C12 | C13 | H13B | 60.0° | 30.0° |
| N11 | C12 | C14 | H14 | 179.8° | 180.0° |
| C38 | N11 | C12 | C13 | 180.0° | 179.7° |
| C38 | N11 | C12 | C14 | 0.2° | 0.3° |
| N11 | C38 | N17 | C15 | 0.3° | 0.6° |
| N11 | C38 | N17 | C18 | 179.8° | 179.8° |
| N11 | C38 | N17 | O39 | 179.9° | 179.7° |
| C38 | N11 | C10 | H10 | 34.6° | 149.7° |
| C38 | N11 | C10 | H10A | 153.2° | 29.7° |
| C13 | C12 | C14 | C15 | 180.0° | 180.0° |
| C12 | C13 | H13 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13B | 120.0° | 120.0° |
| C12 | C13 | H13A | H13B | 120.0° | 119.9° |
| C13 | C12 | C14 | H14 | 0.0° | 0.1° |
| C12 | C14 | C15 | H14 | 180.0° | 179.9° |
| C12 | C14 | C15 | O16 | 179.9° | 180.0° |
| C12 | C14 | C15 | N17 | 0.1° | 0.0° |
| C14 | C12 | C13 | H13 | 0.2° | 90.0° |
| C14 | C12 | C13 | H13A | 120.2° | 30.1° |
| C14 | C12 | C13 | H13B | 119.8° | 150.0° |
| C14 | C15 | O16 | N17 | 179.8° | 180.0° |
| C14 | C15 | N17 | C18 | 179.9° | 179.9° |
| C14 | C15 | N17 | C38 | 0.4° | 0.3° |
| O16 | C15 | N17 | C18 | 0.3° | 0.0° |
| O16 | C15 | N17 | C38 | 179.8° | 179.7° |
| O16 | C15 | C14 | H14 | 0.1° | 0.1° |
| C15 | N17 | C18 | C38 | 179.5° | 179.7° |
| C15 | N17 | C18 | C19 | 106.3° | 90.0° |
| C15 | N17 | C38 | O39 | 179.7° | 179.7° |
| N17 | C15 | C14 | H14 | 179.9° | 180.0° |
| C15 | N17 | C18 | H18 | 14.3° | 150.0° |
| C15 | N17 | C18 | H18A | 133.2° | 30.1° |
| N17 | C18 | C19 | H18 | 120.5° | 120.0° |
| N17 | C18 | C19 | H18A | 120.6° | 120.0° |
| N17 | C18 | C19 | C20 | 155.2° | 180.0° |
| C18 | N17 | C38 | O39 | 0.2° | 0.1° |
| N17 | C18 | H18 | H18A | 118.3° | 119.9° |
| N17 | C18 | C19 | H19 | 84.1° | 60.0° |
| N17 | C18 | C19 | H19A | 34.4° | 60.0° |
| C38 | N17 | C18 | C19 | 74.2° | 89.7° |
| C38 | N17 | C18 | H18 | 165.2° | 30.3° |
| C38 | N17 | C18 | H18A | 46.3° | 150.2° |
| C18 | C19 | C20 | H19 | 120.7° | 120.0° |
| C18 | C19 | C20 | H19A | 120.7° | 120.0° |
| C18 | C19 | C20 | C21 | 126.6° | NaN° |
| C19 | C18 | H18 | H18A | 118.3° | 120.0° |
| C18 | C19 | H19 | H19A | 117.7° | 120.0° |
| C18 | C19 | C20 | H20 | 112.2° | 60.0° |
| C18 | C19 | C20 | H20A | 5.3° | 59.9° |
| C19 | C20 | C21 | H20 | 121.3° | 119.9° |
| C19 | C20 | C21 | H20A | 121.2° | 120.1° |
| C19 | C20 | C21 | C22 | 60.5° | 180.0° |
| C20 | C19 | C18 | H18 | 34.6° | 60.0° |
| C20 | C19 | C18 | H18A | 84.2° | 59.9° |
| C20 | C19 | H19 | H19A | 117.8° | 120.0° |
| C19 | C20 | H20 | H20A | 116.0° | 120.0° |
| C19 | C20 | C21 | H21 | 60.6° | 60.0° |
| C19 | C20 | C21 | H21A | 178.4° | 59.9° |
| C20 | C21 | C22 | H21 | 121.0° | 120.0° |
| C20 | C21 | C22 | H21A | 121.1° | 120.0° |
| C20 | C21 | C22 | N23 | 147.2° | 180.0° |
| C21 | C20 | C19 | H19 | 5.8° | 60.0° |
| C21 | C20 | C19 | H19A | 112.7° | 60.0° |
| C21 | C20 | H20 | H20A | 115.9° | 120.0° |
| C20 | C21 | H21 | H21A | 116.7° | 120.0° |
| C20 | C21 | C22 | H22 | 26.1° | 60.0° |
| C20 | C21 | C22 | H22A | 91.7° | 60.0° |
| C21 | C22 | N23 | H22 | 121.1° | 120.0° |
| C21 | C22 | N23 | H22A | 121.1° | 120.0° |
| C21 | C22 | N23 | C24 | 133.5° | 60.0° |
| C21 | C22 | N23 | C26 | 14.6° | 60.0° |
| C21 | C22 | N23 | C28 | 107.2° | 180.0° |
| C22 | C21 | C20 | H20 | 178.2° | 60.0° |
| C22 | C21 | C20 | H20A | 60.7° | 60.0° |
| C22 | C21 | H21 | H21A | 116.7° | 120.0° |
| C21 | C22 | H22 | H22A | 116.5° | 120.0° |
| C22 | N23 | C24 | C26 | 119.4° | 120.0° |
| C22 | N23 | C24 | C28 | 120.4° | 120.0° |
| C22 | N23 | C26 | C28 | 122.5° | 120.0° |
| C22 | N23 | C24 | C25 | 60.1° | 54.8° |
| C22 | N23 | C26 | C27 | 99.6° | 64.1° |
| C22 | N23 | C28 | C29 | 102.3° | 179.2° |
| N23 | C22 | C21 | H21 | 91.8° | 60.0° |
| N23 | C22 | C21 | H21A | 26.1° | 60.0° |
| N23 | C22 | H22 | H22A | 116.5° | 120.0° |
| C22 | N23 | C24 | H24 | 60.4° | 65.2° |
| C22 | N23 | C24 | H24A | 179.4° | 174.9° |
| C22 | N23 | C26 | H26 | 21.1° | 176.0° |
| C22 | N23 | C26 | H26A | 139.6° | 56.0° |
| C22 | N23 | C28 | H28 | 19.3° | 60.8° |
| C22 | N23 | C28 | H28A | 136.1° | 59.2° |
| C24 | N23 | C26 | C28 | 119.9° | 120.0° |
| N23 | C24 | C25 | H24 | 120.5° | 120.0° |
| N23 | C24 | C25 | H24A | 120.5° | 120.0° |
| C24 | N23 | C26 | C27 | 18.0° | 176.0° |
| C24 | N23 | C28 | C29 | 139.6° | 59.3° |
| C24 | N23 | C22 | H22 | 105.4° | 180.0° |
| C24 | N23 | C22 | H22A | 12.4° | 60.0° |
| N23 | C24 | H24 | H24A | 118.4° | 119.9° |
| N23 | C24 | C25 | H25 | 180.0° | 60.0° |
| N23 | C24 | C25 | H25A | 60.0° | 60.0° |
| N23 | C24 | C25 | H25B | 60.0° | 180.0° |
| C24 | N23 | C26 | H26 | 138.7° | 56.0° |
| C24 | N23 | C26 | H26A | 102.8° | 64.0° |
| C24 | N23 | C28 | H28 | 98.8° | 179.3° |
| C24 | N23 | C28 | H28A | 18.0° | 60.8° |
| C26 | N23 | C24 | C25 | 179.5° | 174.8° |
| N23 | C26 | C27 | H26 | 120.8° | 120.0° |
| N23 | C26 | C27 | H26A | 120.8° | 120.0° |
| C26 | N23 | C28 | C29 | 19.7° | 60.8° |
| C26 | N23 | C22 | H22 | 135.7° | 60.0° |
| C26 | N23 | C22 | H22A | 106.5° | 180.0° |
| C26 | N23 | C24 | H24 | 59.0° | 54.8° |
| C26 | N23 | C24 | H24A | 60.0° | 65.1° |
| N23 | C26 | H26 | H26A | 117.6° | 120.0° |
| N23 | C26 | C27 | H27 | 180.0° | 175.0° |
| N23 | C26 | C27 | H27A | 60.0° | 55.0° |
| N23 | C26 | C27 | H27B | 60.0° | 65.0° |
| C26 | N23 | C28 | H28 | 141.3° | 59.2° |
| C26 | N23 | C28 | H28A | 101.9° | 179.2° |
| C28 | N23 | C24 | C25 | 60.3° | 65.1° |
| C28 | N23 | C26 | C27 | 137.9° | 56.0° |
| N23 | C28 | C29 | H28 | 121.6° | 120.0° |
| N23 | C28 | C29 | H28A | 121.6° | 120.0° |
| N23 | C28 | C29 | C30 | 90.2° | 0.2° |
| N23 | C28 | C29 | C34 | 90.2° | 179.5° |
| C28 | N23 | C22 | H22 | 13.9° | 60.0° |
| C28 | N23 | C22 | H22A | 131.7° | 60.0° |
| C28 | N23 | C24 | H24 | 179.2° | 174.8° |
| C28 | N23 | C24 | H24A | 60.2° | 54.9° |
| C28 | N23 | C26 | H26 | 101.4° | 64.0° |
| C28 | N23 | C26 | H26A | 17.1° | 176.0° |
| N23 | C28 | H28 | H28A | 114.8° | 120.0° |
| C25 | C24 | H24 | H24A | 118.3° | 120.0° |
| C24 | C25 | H25 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25B | 120.0° | 120.0° |
| C24 | C25 | H25A | H25B | 120.0° | 120.0° |
| C27 | C26 | H26 | H26A | 117.5° | 120.0° |
| C26 | C27 | H27 | H27A | 120.0° | 120.0° |
| C26 | C27 | H27 | H27B | 120.0° | 120.0° |
| C26 | C27 | H27A | H27B | 120.0° | 120.0° |
| C28 | C29 | C30 | C34 | 179.6° | 179.7° |
| C28 | C29 | C30 | C31 | 179.9° | 180.0° |
| C28 | C29 | C34 | C33 | 179.8° | 179.8° |
| C28 | C29 | C34 | N35 | 0.1° | 0.0° |
| C29 | C28 | H28 | H28A | 114.7° | 120.0° |
| C28 | C29 | C30 | H30 | 0.1° | 0.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.5° | 0.0° |
| C30 | C29 | C34 | C33 | 0.3° | 0.5° |
| C30 | C29 | C34 | N35 | 179.6° | 179.7° |
| C30 | C29 | C28 | H28 | 148.1° | 120.2° |
| C30 | C29 | C28 | H28A | 31.4° | 119.9° |
| C29 | C30 | C31 | H31 | 179.5° | 180.0° |
| C34 | C29 | C30 | C31 | 0.5° | 0.3° |
| C29 | C34 | C33 | C32 | 0.0° | 0.5° |
| C29 | C34 | C33 | N35 | 179.9° | 179.8° |
| C29 | C34 | N35 | O36 | 169.0° | 175.0° |
| C29 | C34 | N35 | O37 | 11.3° | 5.0° |
| C34 | C29 | C28 | H28 | 31.4° | 59.5° |
| C34 | C29 | C28 | H28A | 148.2° | 60.4° |
| C34 | C29 | C30 | H30 | 179.5° | 179.7° |
| C29 | C34 | C33 | H33 | 180.0° | 179.7° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.2° | 0.1° |
| C30 | C31 | C32 | H32 | 179.8° | 179.9° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.2° |
| C32 | C31 | C30 | H30 | 179.5° | 179.9° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | N35 | 179.9° | 179.8° |
| C33 | C32 | C31 | H31 | 179.8° | 180.0° |
| C33 | C34 | N35 | O36 | 11.1° | 5.2° |
| C33 | C34 | N35 | O37 | 168.6° | 174.7° |
| C34 | C33 | C32 | H32 | 180.0° | 179.8° |
| C34 | N35 | O36 | O37 | 179.6° | 179.9° |
| N35 | C34 | C33 | H33 | 0.1° | 0.1° |
| C40 | C41 | C42 | C46 | 179.7° | 179.8° |
| C40 | C41 | C42 | C43 | 179.7° | 180.0° |
| C40 | C41 | C46 | C45 | 179.9° | 179.8° |
| C40 | C41 | C46 | N47 | 0.2° | 0.1° |
| C41 | C40 | H40 | H40A | 115.4° | 120.0° |
| C40 | C41 | C42 | H42 | 0.2° | 0.0° |
| C41 | C42 | C43 | H42 | 180.0° | 179.9° |
| C41 | C42 | C43 | C44 | 0.3° | 0.0° |
| C42 | C41 | C46 | C45 | 0.3° | 0.5° |
| C42 | C41 | C46 | N47 | 179.5° | 179.7° |
| C42 | C41 | C40 | H40 | 164.8° | 119.5° |
| C42 | C41 | C40 | H40A | 47.7° | 120.5° |
| C41 | C42 | C43 | H43 | 179.7° | 180.0° |
| C46 | C41 | C42 | C43 | 0.5° | 0.3° |
| C41 | C46 | C45 | C44 | 0.0° | 0.4° |
| C41 | C46 | C45 | N47 | 179.9° | 179.8° |
| C41 | C46 | N47 | O48 | 167.0° | 175.0° |
| C41 | C46 | N47 | O49 | 12.7° | 5.0° |
| C46 | C41 | C40 | H40 | 14.9° | 60.2° |
| C46 | C41 | C40 | H40A | 132.0° | 59.7° |
| C46 | C41 | C42 | H42 | 179.5° | 179.8° |
| C41 | C46 | C45 | H45 | 180.0° | 179.7° |
| C42 | C43 | C44 | H43 | 180.0° | 179.9° |
| C42 | C43 | C44 | C45 | 0.1° | 0.1° |
| C42 | C43 | C44 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.2° | 0.1° |
| C44 | C43 | C42 | H42 | 179.7° | 179.9° |
| C43 | C44 | C45 | H45 | 179.8° | 180.0° |
| C44 | C45 | C46 | H45 | 180.0° | 179.9° |
| C44 | C45 | C46 | N47 | 179.9° | 179.8° |
| C45 | C44 | C43 | H43 | 179.9° | 180.0° |
| C45 | C46 | N47 | O48 | 12.8° | 4.8° |
| C45 | C46 | N47 | O49 | 167.4° | 175.2° |
| C46 | C45 | C44 | H44 | 179.8° | 179.8° |
| C46 | N47 | O48 | O49 | 179.8° | 180.0° |
| N47 | C46 | C45 | H45 | 0.1° | 0.1° |
| H01 | C01 | H01A | H01B | 120.0° | 120.0° |
| H01 | C01 | C02 | H02 | 59.5° | 180.0° |
| H01 | C01 | C02 | H02A | 59.4° | 60.0° |
| H01A | C01 | C02 | H02 | 60.6° | 60.0° |
| H01A | C01 | C02 | H02A | 179.4° | 60.0° |
| H01B | C01 | C02 | H02 | 179.4° | 60.0° |
| H01B | C01 | C02 | H02A | 60.5° | 180.0° |
| H04 | C04 | C05 | H05 | 58.9° | 175.0° |
| H04 | C04 | C05 | H05A | 178.9° | 65.0° |
| H04 | C04 | C05 | H05B | 61.1° | 55.0° |
| H04A | C04 | C05 | H05 | 58.8° | 55.1° |
| H04A | C04 | C05 | H05A | 61.2° | 175.0° |
| H04A | C04 | C05 | H05B | 178.8° | 65.0° |
| H05 | C05 | H05A | H05B | 120.0° | 120.0° |
| H06 | C06 | C07 | H07 | 107.9° | 180.0° |
| H06 | C06 | C07 | H07A | 134.2° | 60.0° |
| H06A | C06 | C07 | H07 | 10.0° | 60.1° |
| H06A | C06 | C07 | H07A | 107.9° | 179.9° |
| H07 | C07 | C08 | H08 | 143.9° | 180.0° |
| H07 | C07 | C08 | H08A | 25.9° | 60.0° |
| H07A | C07 | C08 | H08 | 98.2° | 60.0° |
| H07A | C07 | C08 | H08A | 143.8° | 180.0° |
| H08 | C08 | C09 | H09 | 81.0° | 180.0° |
| H08 | C08 | C09 | H09A | 37.2° | 60.0° |
| H08A | C08 | C09 | H09 | 161.0° | 60.0° |
| H08A | C08 | C09 | H09A | 80.9° | 180.0° |
| H09 | C09 | C10 | H10 | 149.5° | 180.0° |
| H09 | C09 | C10 | H10A | 31.0° | 60.0° |
| H09A | C09 | C10 | H10 | 92.3° | 60.0° |
| H09A | C09 | C10 | H10A | 149.1° | 180.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| H18 | C18 | C19 | H19 | 155.4° | 180.0° |
| H18 | C18 | C19 | H19A | 86.1° | 60.0° |
| H18A | C18 | C19 | H19 | 36.5° | 60.0° |
| H18A | C18 | C19 | H19A | 155.0° | 180.0° |
| H19 | C19 | C20 | H20 | 127.1° | 180.0° |
| H19 | C19 | C20 | H20A | 115.4° | 60.1° |
| H19A | C19 | C20 | H20 | 8.6° | 60.0° |
| H19A | C19 | C20 | H20A | 126.0° | 180.0° |
| H20 | C20 | C21 | H21 | 60.8° | 180.0° |
| H20 | C20 | C21 | H21A | 57.1° | 60.0° |
| H20A | C20 | C21 | H21 | 178.2° | 60.0° |
| H20A | C20 | C21 | H21A | 60.3° | 180.0° |
| H21 | C21 | C22 | H22 | 147.1° | 180.0° |
| H21 | C21 | C22 | H22A | 29.3° | 60.0° |
| H21A | C21 | C22 | H22 | 95.0° | 60.0° |
| H21A | C21 | C22 | H22A | 147.2° | 180.0° |
| H24 | C24 | C25 | H25 | 59.5° | 180.0° |
| H24 | C24 | C25 | H25A | 179.5° | 60.0° |
| H24 | C24 | C25 | H25B | 60.6° | 60.0° |
| H24A | C24 | C25 | H25 | 59.5° | 60.0° |
| H24A | C24 | C25 | H25A | 60.6° | 180.0° |
| H24A | C24 | C25 | H25B | 179.5° | 60.0° |
| H25 | C25 | H25A | H25B | 120.0° | 120.1° |
| H26 | C26 | C27 | H27 | 59.2° | 65.0° |
| H26 | C26 | C27 | H27A | 179.2° | 175.0° |
| H26 | C26 | C27 | H27B | 60.8° | 55.0° |
| H26A | C26 | C27 | H27 | 59.2° | 55.0° |
| H26A | C26 | C27 | H27A | 60.8° | 65.0° |
| H26A | C26 | C27 | H27B | 179.2° | 175.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| H30 | C30 | C31 | H31 | 0.5° | 0.1° |
| H31 | C31 | C32 | H32 | 0.2° | 0.0° |
| H32 | C32 | C33 | H33 | 0.0° | 0.0° |
| H42 | C42 | C43 | H43 | 0.3° | 0.0° |
| H43 | C43 | C44 | H44 | 0.0° | 0.0° |
| H44 | C44 | C45 | H45 | 0.2° | 0.0° |
