VYJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | C13 | sing | 1.53Å | 1.55Å | |
| C22 | N10 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | N17 | sing | 1.47Å | 1.50Å | |
| C20 | N17 | sing | 1.47Å | 1.49Å | |
| N14 | C19 | sing | 1.47Å | 1.50Å | |
| N14 | C13 | sing | 1.47Å | 1.49Å | |
| N14 | C15 | sing | 1.47Å | 1.50Å | |
| C16 | N17 | sing | 1.47Å | 1.49Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| O23 | C09 | doub | 1.22Å | 1.26Å | |
| N10 | C09 | sing | 1.35Å | 1.40Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| C09 | C08 | sing | 1.48Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C08 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
| C08 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C39 | C40 | sing | 1.55Å | 1.53Å | |
| C39 | C38 | sing | 1.54Å | 1.54Å | |
| C40 | C41 | sing | 1.55Å | 1.55Å | |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C37 | sing | 1.54Å | 1.56Å | |
| C38 | C37 | sing | 1.54Å | 1.55Å | |
| C06 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C04 | O03 | sing | 1.36Å | 1.37Å | |
| C02 | O03 | sing | 1.43Å | 1.44Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C37 | N34 | sing | 1.46Å | 1.47Å | |
| C05 | N25 | sing | 1.39Å | 1.36Å | |
| N25 | C26 | sing | 1.39Å | 1.35Å | |
| N34 | C35 | sing | 1.39Å | 1.38Å | |
| N34 | C33 | sing | 1.39Å | 1.39Å | |
| N36 | C26 | doub | 1.33Å | 1.36Å | Aromatic |
| N36 | C35 | sing | 1.33Å | 1.36Å | Aromatic |
| C42 | C33 | doub | 1.39Å | 1.42Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | N27 | sing | 1.32Å | 1.35Å | Aromatic |
| C35 | C29 | doub | 1.39Å | 1.42Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.43Å | Aromatic |
| C43 | C44 | doub | 1.39Å | 1.40Å | Aromatic |
| N27 | C28 | doub | 1.33Å | 1.35Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | N30 | sing | 1.40Å | 1.38Å | |
| C32 | C31 | sing | 1.47Å | 1.43Å | |
| C32 | C45 | doub | 1.40Å | 1.42Å | Aromatic |
| C44 | C45 | sing | 1.37Å | 1.40Å | Aromatic |
| N30 | C31 | sing | 1.32Å | 1.37Å | |
| N30 | C47 | sing | 1.47Å | 1.46Å | |
| C31 | O46 | doub | 1.22Å | 1.25Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C02 | H16 | sing | 1.09Å | 1.10Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.08Å | 1.08Å | |
| C07 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C41 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H39 | sing | 1.08Å | 1.08Å | |
| C43 | H40 | sing | 1.08Å | 1.08Å | |
| C44 | H41 | sing | 1.08Å | 1.08Å | |
| C45 | H42 | sing | 1.08Å | 1.08Å | |
| C47 | H43 | sing | 1.09Å | 1.10Å | |
| C47 | H44 | sing | 1.09Å | 1.10Å | |
| C47 | H45 | sing | 1.09Å | 1.10Å | |
| N25 | H48 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C13 | 111.1° | 109.3° |
| C21 | C22 | N10 | 116.4° | 108.8° |
| C22 | C21 | H7 | 109.1° | 109.4° |
| C22 | C21 | H8 | 109.1° | 109.5° |
| C21 | C22 | H9 | 107.7° | 109.7° |
| C21 | C22 | H10 | 107.7° | 109.6° |
| C21 | C13 | N14 | 112.3° | 109.4° |
| C21 | C13 | C12 | 110.1° | 109.5° |
| C21 | C13 | H1 | 108.2° | 109.5° |
| C13 | C21 | H7 | 109.1° | 109.5° |
| C13 | C21 | H8 | 109.1° | 109.5° |
| C22 | N10 | C09 | 119.2° | 120.6° |
| C22 | N10 | C11 | 119.3° | 118.8° |
| N10 | C22 | H9 | 107.7° | 109.6° |
| N10 | C22 | H10 | 107.7° | 109.5° |
| C19 | C18 | N17 | 113.3° | 109.4° |
| C18 | C19 | N14 | 113.7° | 109.4° |
| C19 | C18 | H26 | 108.5° | 109.5° |
| C19 | C18 | H27 | 108.5° | 109.5° |
| C18 | C19 | H28 | 108.4° | 109.5° |
| C18 | C19 | H29 | 108.4° | 109.5° |
| C18 | N17 | C20 | 113.1° | 111.0° |
| C18 | N17 | C16 | 115.5° | 110.8° |
| N17 | C18 | H26 | 108.5° | 109.5° |
| N17 | C18 | H27 | 108.5° | 109.5° |
| C20 | N17 | C16 | 112.4° | 111.0° |
| N17 | C20 | H4 | 109.5° | 109.5° |
| N17 | C20 | H5 | 109.5° | 109.4° |
| N17 | C20 | H6 | 109.5° | 109.4° |
| C19 | N14 | C13 | 115.9° | 111.0° |
| C19 | N14 | C15 | 113.8° | 110.9° |
| N14 | C19 | H28 | 108.4° | 109.5° |
| N14 | C19 | H29 | 108.4° | 109.5° |
| C13 | N14 | C15 | 114.9° | 111.0° |
| N14 | C13 | C12 | 109.2° | 109.5° |
| N14 | C13 | H1 | 108.9° | 109.5° |
| N14 | C15 | C16 | 112.1° | 109.4° |
| N14 | C15 | H2 | 108.8° | 109.5° |
| N14 | C15 | H3 | 108.8° | 109.4° |
| N17 | C16 | C15 | 112.8° | 109.4° |
| N17 | C16 | H24 | 108.6° | 109.5° |
| N17 | C16 | H25 | 108.6° | 109.5° |
| C16 | C15 | H2 | 108.8° | 109.5° |
| C16 | C15 | H3 | 108.8° | 109.5° |
| C15 | C16 | H24 | 108.6° | 109.5° |
| C15 | C16 | H25 | 108.6° | 109.5° |
| C13 | C12 | C11 | 110.6° | 109.3° |
| C12 | C13 | H1 | 108.1° | 109.5° |
| C13 | C12 | H22 | 109.2° | 109.5° |
| C13 | C12 | H23 | 109.2° | 109.5° |
| O23 | C09 | N10 | 117.0° | 120.0° |
| O23 | C09 | C08 | 114.2° | 120.0° |
| C09 | N10 | C11 | 120.0° | 120.6° |
| N10 | C09 | C08 | 128.7° | 120.0° |
| N10 | C11 | C12 | 115.4° | 108.8° |
| N10 | C11 | H20 | 108.0° | 109.6° |
| N10 | C11 | H21 | 107.9° | 109.7° |
| C09 | C08 | C07 | 116.2° | 120.1° |
| C09 | C08 | C24 | 125.8° | 120.0° |
| C12 | C11 | H20 | 107.9° | 109.5° |
| C12 | C11 | H21 | 108.0° | 109.6° |
| C11 | C12 | H22 | 109.2° | 109.6° |
| C11 | C12 | H23 | 109.2° | 109.5° |
| C07 | C08 | C24 | 118.0° | 119.9° |
| C08 | C07 | C06 | 121.7° | 120.0° |
| C08 | C07 | H19 | 119.1° | 120.0° |
| C08 | C24 | C04 | 120.3° | 119.9° |
| C08 | C24 | H11 | 119.8° | 120.1° |
| C40 | C39 | C38 | 102.7° | 104.2° |
| C39 | C40 | C41 | 105.3° | 102.8° |
| C40 | C39 | H33 | 111.1° | 110.6° |
| C40 | C39 | H34 | 111.2° | 110.5° |
| C39 | C40 | H35 | 110.5° | 110.7° |
| C39 | C40 | H36 | 110.5° | 110.7° |
| C39 | C38 | C37 | 106.9° | 106.6° |
| C39 | C38 | H31 | 110.1° | 110.0° |
| C39 | C38 | H32 | 110.1° | 110.1° |
| C38 | C39 | H33 | 111.2° | 110.5° |
| C38 | C39 | H34 | 111.1° | 110.4° |
| C40 | C41 | C37 | 109.1° | 104.2° |
| C41 | C40 | H35 | 110.5° | 110.7° |
| C41 | C40 | H36 | 110.5° | 110.8° |
| C40 | C41 | H37 | 109.6° | 110.5° |
| C40 | C41 | H38 | 109.6° | 110.5° |
| C07 | C06 | C05 | 119.9° | 120.2° |
| C07 | C06 | H18 | 120.1° | 119.9° |
| C06 | C07 | H19 | 119.2° | 120.0° |
| C24 | C04 | C05 | 120.7° | 120.0° |
| C24 | C04 | O03 | 122.8° | 120.0° |
| C04 | C24 | H11 | 119.8° | 120.0° |
| C41 | C37 | C38 | 102.1° | 106.6° |
| C41 | C37 | N34 | 119.0° | 110.0° |
| C41 | C37 | H30 | 106.6° | 110.0° |
| C37 | C41 | H37 | 109.6° | 110.5° |
| C37 | C41 | H38 | 109.6° | 110.6° |
| C38 | C37 | N34 | 114.3° | 110.0° |
| C38 | C37 | H30 | 106.6° | 110.1° |
| C37 | C38 | H31 | 110.2° | 110.0° |
| C37 | C38 | H32 | 110.1° | 110.1° |
| C06 | C05 | C04 | 119.4° | 120.1° |
| C06 | C05 | N25 | 127.4° | 120.0° |
| C05 | C06 | H18 | 120.1° | 119.9° |
| C05 | C04 | O03 | 116.5° | 120.0° |
| C04 | C05 | N25 | 113.2° | 120.0° |
| C04 | O03 | C02 | 114.7° | 117.0° |
| O03 | C02 | C01 | 105.4° | 109.5° |
| O03 | C02 | H16 | 110.5° | 109.5° |
| O03 | C02 | H17 | 110.4° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.4° | 109.5° |
| C01 | C02 | H16 | 110.5° | 109.5° |
| C01 | C02 | H17 | 110.5° | 109.5° |
| C37 | N34 | C35 | 118.8° | 120.5° |
| C37 | N34 | C33 | 121.6° | 120.5° |
| N34 | C37 | H30 | 107.5° | 110.0° |
| C05 | N25 | C26 | 131.3° | 120.0° |
| C05 | N25 | H48 | 114.4° | 120.0° |
| N25 | C26 | N36 | 117.4° | 119.1° |
| N25 | C26 | N27 | 123.7° | 119.1° |
| C26 | N25 | H48 | 114.3° | 120.0° |
| C35 | N34 | C33 | 110.5° | 119.0° |
| N34 | C35 | N36 | 118.3° | 119.8° |
| N34 | C35 | C29 | 122.7° | 121.0° |
| N34 | C33 | C42 | 118.4° | 119.7° |
| N34 | C33 | C32 | 122.9° | 120.4° |
| C26 | N36 | C35 | 122.2° | 120.5° |
| N36 | C26 | N27 | 118.8° | 121.7° |
| N36 | C35 | C29 | 119.0° | 119.2° |
| C33 | C42 | C43 | 121.7° | 120.1° |
| C42 | C33 | C32 | 118.7° | 119.9° |
| C33 | C42 | H39 | 119.2° | 119.9° |
| C42 | C43 | C44 | 119.3° | 120.3° |
| C43 | C42 | H39 | 119.2° | 120.0° |
| C42 | C43 | H40 | 120.3° | 119.9° |
| C26 | N27 | C28 | 122.3° | 121.0° |
| C35 | C29 | C28 | 117.4° | 118.3° |
| C35 | C29 | N30 | 123.1° | 121.8° |
| C33 | C32 | C31 | 123.4° | 121.1° |
| C33 | C32 | C45 | 118.6° | 119.1° |
| C43 | C44 | C45 | 120.4° | 119.9° |
| C44 | C43 | H40 | 120.4° | 119.9° |
| C43 | C44 | H41 | 119.8° | 119.8° |
| N27 | C28 | C29 | 120.3° | 119.2° |
| N27 | C28 | H12 | 119.8° | 120.4° |
| C28 | C29 | N30 | 119.5° | 119.9° |
| C29 | C28 | H12 | 119.9° | 120.4° |
| C29 | N30 | C31 | 122.1° | 126.7° |
| C29 | N30 | C47 | 118.4° | 116.6° |
| C31 | C32 | C45 | 118.0° | 119.8° |
| C32 | C31 | N30 | 124.4° | 125.8° |
| C32 | C31 | O46 | 118.1° | 117.1° |
| C32 | C45 | C44 | 121.2° | 120.7° |
| C32 | C45 | H42 | 119.4° | 119.9° |
| C45 | C44 | H41 | 119.8° | 120.3° |
| C44 | C45 | H42 | 119.4° | 119.4° |
| C31 | N30 | C47 | 119.4° | 116.7° |
| N30 | C31 | O46 | 117.5° | 117.1° |
| N30 | C47 | H43 | 109.5° | 109.4° |
| N30 | C47 | H44 | 109.5° | 109.5° |
| N30 | C47 | H45 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H4 | C20 | H6 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.4° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.4° | 109.7° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H16 | C02 | H17 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.6° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.4° |
| H26 | C18 | H27 | 109.5° | 109.4° |
| H28 | C19 | H29 | 109.4° | 109.5° |
| H31 | C38 | H32 | 109.5° | 110.0° |
| H33 | C39 | H34 | 109.5° | 110.5° |
| H35 | C40 | H36 | 109.5° | 110.8° |
| H37 | C41 | H38 | 109.4° | 110.5° |
| H43 | C47 | H44 | 109.4° | 109.4° |
| H43 | C47 | H45 | 109.5° | 109.4° |
| H44 | C47 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C13 | H7 | 120.2° | 119.9° |
| C22 | C21 | C13 | H8 | 120.3° | 120.0° |
| C21 | C22 | N10 | H9 | 121.0° | 119.9° |
| C21 | C22 | N10 | H10 | 121.0° | 119.7° |
| C22 | C21 | C13 | N14 | 177.4° | 178.6° |
| C22 | C21 | C13 | C12 | 55.5° | 61.3° |
| C21 | C22 | N10 | C09 | 130.9° | 126.4° |
| C21 | C22 | N10 | C11 | 34.9° | 53.6° |
| C22 | C21 | C13 | H1 | 62.5° | 58.7° |
| C22 | C21 | H7 | H8 | 119.3° | 120.0° |
| C21 | C22 | H9 | H10 | 116.9° | 120.4° |
| C13 | C21 | C22 | N10 | 44.2° | 54.6° |
| C21 | C13 | N14 | C19 | 59.2° | 64.9° |
| C21 | C13 | N14 | C12 | 122.4° | 120.1° |
| C21 | C13 | N14 | H1 | 119.8° | 120.0° |
| C21 | C13 | N14 | C15 | 164.9° | 58.9° |
| C21 | C13 | C12 | H1 | 118.0° | 120.1° |
| C21 | C13 | C12 | C11 | 56.8° | 61.4° |
| C13 | C21 | H7 | H8 | 119.3° | 120.1° |
| C13 | C21 | C22 | H9 | 165.2° | 174.4° |
| C13 | C21 | C22 | H10 | 76.8° | 65.1° |
| C21 | C13 | C12 | H22 | 177.0° | 178.6° |
| C21 | C13 | C12 | H23 | 63.4° | 58.6° |
| C22 | N10 | C09 | O23 | 26.3° | 5.4° |
| C22 | N10 | C09 | C11 | 165.7° | 180.0° |
| C22 | N10 | C09 | C08 | 151.3° | 174.6° |
| C22 | N10 | C11 | C12 | 36.1° | 53.6° |
| N10 | C22 | C21 | H7 | 164.4° | 65.3° |
| N10 | C22 | C21 | H8 | 76.1° | 174.6° |
| N10 | C22 | H9 | H10 | 116.9° | 120.3° |
| C22 | N10 | C11 | H20 | 156.9° | 66.2° |
| C22 | N10 | C11 | H21 | 84.8° | 173.4° |
| C19 | C18 | N17 | H26 | 120.6° | 120.0° |
| C19 | C18 | N17 | H27 | 120.6° | 120.0° |
| C19 | C18 | N17 | C20 | 176.3° | 176.9° |
| C18 | C19 | N14 | H28 | 120.6° | 120.0° |
| C18 | C19 | N14 | H29 | 120.6° | 120.0° |
| C18 | C19 | N14 | C13 | 174.6° | 176.8° |
| C18 | C19 | N14 | C15 | 49.0° | 59.3° |
| C19 | C18 | N17 | C16 | 44.8° | 59.3° |
| C19 | C18 | H26 | H27 | 118.2° | 120.0° |
| C18 | C19 | H28 | H29 | 118.1° | 120.0° |
| C18 | N17 | C20 | C16 | 133.0° | 123.7° |
| N17 | C18 | C19 | N14 | 44.6° | 58.4° |
| C18 | N17 | C16 | C15 | 48.1° | 59.3° |
| C18 | N17 | C20 | H4 | 180.0° | 63.8° |
| C18 | N17 | C20 | H5 | 60.0° | 56.3° |
| C18 | N17 | C20 | H6 | 60.0° | 176.2° |
| C18 | N17 | C16 | H24 | 72.4° | 179.3° |
| C18 | N17 | C16 | H25 | 168.5° | 60.7° |
| N17 | C18 | H26 | H27 | 118.3° | 120.0° |
| N17 | C18 | C19 | H28 | 76.1° | 61.5° |
| N17 | C18 | C19 | H29 | 165.2° | 178.4° |
| C20 | N17 | C16 | C15 | 179.9° | 176.8° |
| N17 | C20 | H4 | H5 | 120.0° | 120.0° |
| N17 | C20 | H4 | H6 | 120.0° | 120.0° |
| N17 | C20 | H5 | H6 | 120.0° | 119.9° |
| C20 | N17 | C16 | H24 | 59.4° | 56.9° |
| C20 | N17 | C16 | H25 | 59.6° | 63.1° |
| C20 | N17 | C18 | H26 | 55.7° | 63.1° |
| C20 | N17 | C18 | H27 | 63.2° | 56.9° |
| C19 | N14 | C13 | C15 | 135.9° | 123.8° |
| C19 | N14 | C15 | C16 | 51.8° | 59.3° |
| C19 | N14 | C13 | C12 | 63.2° | 175.0° |
| C19 | N14 | C13 | H1 | 179.0° | 55.0° |
| C19 | N14 | C15 | H2 | 68.6° | 179.3° |
| C19 | N14 | C15 | H3 | 172.2° | 60.7° |
| N14 | C19 | C18 | H26 | 76.0° | 61.6° |
| N14 | C19 | C18 | H27 | 165.2° | 178.4° |
| N14 | C19 | H28 | H29 | 118.1° | 120.1° |
| C13 | N14 | C15 | C16 | 171.3° | 176.8° |
| N14 | C13 | C12 | H1 | 118.3° | 120.0° |
| N14 | C13 | C12 | C11 | 179.5° | 178.7° |
| C13 | N14 | C15 | H2 | 68.3° | 56.8° |
| C13 | N14 | C15 | H3 | 51.0° | 63.2° |
| N14 | C13 | C21 | H7 | 62.4° | 61.5° |
| N14 | C13 | C21 | H8 | 57.1° | 58.7° |
| N14 | C13 | C12 | H22 | 59.3° | 58.7° |
| N14 | C13 | C12 | H23 | 60.4° | 61.4° |
| C13 | N14 | C19 | H28 | 64.8° | 63.2° |
| C13 | N14 | C19 | H29 | 53.9° | 56.8° |
| N14 | C15 | C16 | N17 | 50.7° | 58.4° |
| N14 | C15 | C16 | H2 | 120.4° | 120.0° |
| N14 | C15 | C16 | H3 | 120.4° | 119.9° |
| C15 | N14 | C13 | C12 | 72.8° | 61.2° |
| C15 | N14 | C13 | H1 | 45.1° | 178.9° |
| N14 | C15 | H2 | H3 | 118.8° | 120.0° |
| N14 | C15 | C16 | H24 | 69.8° | 178.3° |
| N14 | C15 | C16 | H25 | 171.2° | 61.7° |
| C15 | N14 | C19 | H28 | 71.6° | 60.7° |
| C15 | N14 | C19 | H29 | 169.7° | 179.3° |
| N17 | C16 | C15 | H24 | 120.5° | 120.0° |
| N17 | C16 | C15 | H25 | 120.5° | 120.0° |
| N17 | C16 | C15 | H2 | 69.7° | 178.4° |
| N17 | C16 | C15 | H3 | 171.0° | 61.5° |
| C16 | N17 | C20 | H4 | 47.0° | 60.0° |
| C16 | N17 | C20 | H5 | 73.0° | 180.0° |
| C16 | N17 | C20 | H6 | 167.0° | 60.1° |
| N17 | C16 | H24 | H25 | 118.5° | 120.0° |
| C16 | N17 | C18 | H26 | 75.7° | 60.7° |
| C16 | N17 | C18 | H27 | 165.4° | 179.3° |
| C16 | C15 | H2 | H3 | 118.8° | 120.1° |
| C15 | C16 | H24 | H25 | 118.5° | 120.0° |
| C13 | C12 | C11 | N10 | 46.7° | 54.6° |
| C13 | C12 | C11 | H22 | 120.2° | 120.0° |
| C13 | C12 | C11 | H23 | 120.2° | 119.9° |
| C12 | C13 | C21 | H7 | 175.7° | 58.5° |
| C12 | C13 | C21 | H8 | 64.8° | 178.7° |
| C13 | C12 | C11 | H20 | 167.6° | 65.2° |
| C13 | C12 | C11 | H21 | 74.1° | 174.6° |
| C13 | C12 | H22 | H23 | 119.5° | 120.0° |
| O23 | C09 | N10 | C08 | 177.6° | 180.0° |
| O23 | C09 | N10 | C11 | 168.0° | 174.6° |
| O23 | C09 | C08 | C07 | 126.8° | 146.7° |
| O23 | C09 | C08 | C24 | 53.7° | 33.8° |
| C09 | N10 | C11 | C12 | 129.6° | 126.4° |
| N10 | C09 | C08 | C07 | 50.9° | 33.3° |
| N10 | C09 | C08 | C24 | 128.6° | 146.2° |
| C09 | N10 | C22 | H9 | 9.9° | 6.6° |
| C09 | N10 | C22 | H10 | 108.1° | 113.8° |
| C09 | N10 | C11 | H20 | 8.7° | 113.8° |
| C09 | N10 | C11 | H21 | 109.6° | 6.5° |
| C11 | N10 | C09 | C08 | 14.4° | 5.4° |
| N10 | C11 | C12 | H20 | 120.9° | 119.8° |
| N10 | C11 | C12 | H21 | 120.8° | 120.0° |
| C11 | N10 | C22 | H9 | 155.9° | 173.4° |
| C11 | N10 | C22 | H10 | 86.2° | 66.2° |
| N10 | C11 | H20 | H21 | 117.3° | 120.5° |
| N10 | C11 | C12 | H22 | 166.9° | 174.6° |
| N10 | C11 | C12 | H23 | 73.4° | 65.3° |
| C09 | C08 | C07 | C24 | 179.5° | 179.5° |
| C09 | C08 | C07 | C06 | 179.7° | 180.0° |
| C09 | C08 | C24 | C04 | 179.7° | 180.0° |
| C09 | C08 | C24 | H11 | 0.3° | 0.3° |
| C09 | C08 | C07 | H19 | 0.3° | 0.2° |
| C11 | C12 | C13 | H1 | 61.2° | 58.7° |
| C12 | C11 | H20 | H21 | 117.3° | 120.2° |
| C11 | C12 | H22 | H23 | 119.5° | 120.1° |
| C08 | C07 | C06 | H19 | 180.0° | 179.8° |
| C07 | C08 | C24 | C04 | 0.8° | 0.6° |
| C08 | C07 | C06 | C05 | 0.3° | 0.2° |
| C07 | C08 | C24 | H11 | 179.2° | 179.7° |
| C08 | C07 | C06 | H18 | 179.6° | 179.8° |
| C24 | C08 | C07 | C06 | 0.2° | 0.5° |
| C08 | C24 | C04 | H11 | 180.0° | 179.7° |
| C08 | C24 | C04 | C05 | 1.0° | 0.3° |
| C08 | C24 | C04 | O03 | 179.6° | 179.7° |
| C24 | C08 | C07 | H19 | 179.9° | 179.7° |
| C40 | C39 | C38 | H33 | 118.9° | 118.8° |
| C40 | C39 | C38 | H34 | 118.9° | 118.7° |
| C39 | C40 | C41 | H35 | 119.3° | 118.3° |
| C39 | C40 | C41 | H36 | 119.3° | 118.3° |
| C39 | C40 | C41 | C37 | 13.1° | 37.8° |
| C40 | C39 | C38 | C37 | 38.5° | 23.6° |
| C40 | C39 | C38 | H31 | 81.1° | 95.7° |
| C40 | C39 | C38 | H32 | 158.1° | 142.9° |
| C40 | C39 | H33 | H34 | 123.2° | 122.6° |
| C39 | C40 | H35 | H36 | 121.9° | 123.2° |
| C39 | C40 | C41 | H37 | 106.9° | 80.8° |
| C39 | C40 | C41 | H38 | 133.0° | 156.6° |
| C38 | C39 | C40 | C41 | 30.8° | 37.9° |
| C39 | C38 | C37 | C41 | 29.9° | 0.0° |
| C39 | C38 | C37 | H31 | 119.6° | 119.2° |
| C39 | C38 | C37 | H32 | 119.6° | 119.4° |
| C39 | C38 | C37 | N34 | 159.7° | 119.3° |
| C39 | C38 | C37 | H30 | 81.7° | 119.3° |
| C39 | C38 | H31 | H32 | 121.2° | 121.5° |
| C38 | C39 | H33 | H34 | 123.2° | 122.5° |
| C38 | C39 | C40 | H35 | 150.2° | 80.5° |
| C38 | C39 | C40 | H36 | 88.5° | 156.3° |
| C40 | C41 | C37 | H37 | 120.0° | 118.6° |
| C40 | C41 | C37 | H38 | 120.0° | 118.7° |
| C40 | C41 | C37 | C38 | 10.1° | 23.5° |
| C40 | C41 | C37 | N34 | 136.9° | 142.9° |
| C40 | C41 | C37 | H30 | 101.5° | 95.8° |
| C41 | C40 | C39 | H33 | 149.7° | 156.6° |
| C41 | C40 | C39 | H34 | 88.1° | 80.8° |
| C41 | C40 | H35 | H36 | 121.9° | 123.4° |
| C40 | C41 | H37 | H38 | 120.2° | 122.6° |
| C07 | C06 | C05 | H18 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.2° | 0.0° |
| C07 | C06 | C05 | N25 | 179.9° | 180.0° |
| C24 | C04 | C05 | C06 | 0.4° | 0.0° |
| C24 | C04 | C05 | O03 | 178.8° | 179.9° |
| C24 | C04 | O03 | C02 | 15.3° | 0.0° |
| C24 | C04 | C05 | N25 | 179.5° | 180.0° |
| C41 | C37 | C38 | N34 | 129.8° | 119.3° |
| C41 | C37 | C38 | H30 | 111.6° | 119.3° |
| C41 | C37 | N34 | H30 | 121.1° | 121.3° |
| C41 | C37 | N34 | C35 | 167.6° | 57.9° |
| C41 | C37 | N34 | C33 | 48.6° | 122.1° |
| C41 | C37 | C38 | H31 | 89.7° | 119.2° |
| C41 | C37 | C38 | H32 | 149.5° | 119.4° |
| C37 | C41 | C40 | H35 | 132.4° | 80.5° |
| C37 | C41 | C40 | H36 | 106.2° | 156.2° |
| C37 | C41 | H37 | H38 | 120.2° | 122.7° |
| C38 | C37 | N34 | H30 | 118.0° | 121.4° |
| C38 | C37 | N34 | C35 | 46.7° | 59.3° |
| C38 | C37 | N34 | C33 | 169.5° | 120.7° |
| C37 | C38 | H31 | H32 | 121.2° | 121.4° |
| C37 | C38 | C39 | H33 | 157.4° | 142.3° |
| C37 | C38 | C39 | H34 | 80.4° | 95.1° |
| C38 | C37 | C41 | H37 | 130.0° | 95.1° |
| C38 | C37 | C41 | H38 | 109.9° | 142.3° |
| C06 | C05 | C04 | N25 | 179.9° | 180.0° |
| C06 | C05 | C04 | O03 | 179.2° | 180.0° |
| C06 | C05 | N25 | C26 | 13.6° | 32.4° |
| C05 | C06 | C07 | H19 | 179.6° | 180.0° |
| C06 | C05 | N25 | H48 | 166.4° | 147.6° |
| C05 | C04 | O03 | C02 | 165.9° | 180.0° |
| C04 | C05 | N25 | C26 | 166.5° | 147.6° |
| C05 | C04 | C24 | H11 | 179.1° | 180.0° |
| C04 | C05 | C06 | H18 | 179.8° | 180.0° |
| C04 | C05 | N25 | H48 | 13.5° | 32.3° |
| C04 | O03 | C02 | C01 | 170.8° | 180.0° |
| O03 | C04 | C05 | N25 | 0.7° | 0.1° |
| O03 | C04 | C24 | H11 | 0.4° | 0.0° |
| C04 | O03 | C02 | H16 | 51.5° | 60.0° |
| C04 | O03 | C02 | H17 | 69.8° | 60.0° |
| O03 | C02 | C01 | H16 | 119.4° | 120.0° |
| O03 | C02 | C01 | H17 | 119.3° | 120.0° |
| O03 | C02 | C01 | H13 | 180.0° | 180.0° |
| O03 | C02 | C01 | H14 | 60.0° | 60.0° |
| O03 | C02 | C01 | H15 | 60.0° | 60.0° |
| O03 | C02 | H16 | H17 | 121.9° | 120.0° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C01 | C02 | H16 | H17 | 121.9° | 120.0° |
| C37 | N34 | C35 | C33 | 147.5° | 180.0° |
| C37 | N34 | C35 | N36 | 34.0° | 61.7° |
| C37 | N34 | C33 | C42 | 29.2° | 62.2° |
| C37 | N34 | C35 | C29 | 147.8° | 119.0° |
| C37 | N34 | C33 | C32 | 152.7° | 120.5° |
| N34 | C37 | C38 | H31 | 40.1° | 121.5° |
| N34 | C37 | C38 | H32 | 80.7° | 0.1° |
| N34 | C37 | C41 | H37 | 103.1° | 24.2° |
| N34 | C37 | C41 | H38 | 17.0° | 98.4° |
| C05 | N25 | C26 | H48 | 180.0° | 180.0° |
| C05 | N25 | C26 | N36 | 3.5° | 174.3° |
| C05 | N25 | C26 | N27 | 176.7° | 6.0° |
| N25 | C05 | C06 | H18 | 0.2° | 0.1° |
| N25 | C26 | N36 | N27 | 179.9° | 179.7° |
| N25 | C26 | N36 | C35 | 178.9° | 179.4° |
| N25 | C26 | N27 | C28 | 179.9° | 179.1° |
| N34 | C35 | N36 | C26 | 179.9° | 177.3° |
| N34 | C35 | N36 | C29 | 178.3° | 179.4° |
| C35 | N34 | C33 | C42 | 117.3° | 117.8° |
| C35 | N34 | C33 | C32 | 60.9° | 59.5° |
| N34 | C35 | C29 | C28 | 179.4° | 176.9° |
| N34 | C35 | C29 | N30 | 2.3° | 4.4° |
| C35 | N34 | C37 | H30 | 71.3° | 179.3° |
| C33 | N34 | C35 | N36 | 113.5° | 118.3° |
| N34 | C33 | C42 | C32 | 178.2° | 177.3° |
| N34 | C33 | C42 | C43 | 179.3° | 175.9° |
| C33 | N34 | C35 | C29 | 64.7° | 61.1° |
| N34 | C33 | C32 | C31 | 1.9° | 5.1° |
| N34 | C33 | C32 | C45 | 178.9° | 175.2° |
| C33 | N34 | C37 | H30 | 72.5° | 0.7° |
| N34 | C33 | C42 | H39 | 0.7° | 4.1° |
| C26 | N36 | C35 | C29 | 1.9° | 2.1° |
| N36 | C26 | N27 | C28 | 0.1° | 1.2° |
| N36 | C26 | N25 | H48 | 176.5° | 5.8° |
| C35 | N36 | C26 | N27 | 1.3° | 0.3° |
| N36 | C35 | C29 | C28 | 1.3° | 2.4° |
| N36 | C35 | C29 | N30 | 179.5° | 176.2° |
| C33 | C42 | C43 | H39 | 180.0° | 180.0° |
| C33 | C42 | C43 | C44 | 1.0° | 0.0° |
| C42 | C33 | C32 | C31 | 180.0° | 177.6° |
| C42 | C33 | C32 | C45 | 0.8° | 2.1° |
| C33 | C42 | C43 | H40 | 179.0° | 180.0° |
| C43 | C42 | C33 | C32 | 1.1° | 1.4° |
| C42 | C43 | C44 | H40 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.6° | 0.7° |
| C42 | C43 | C44 | H41 | 179.4° | 179.2° |
| C26 | N27 | C28 | C29 | 0.5° | 0.8° |
| C26 | N27 | C28 | H12 | 179.5° | 179.3° |
| N27 | C26 | N25 | H48 | 3.3° | 173.9° |
| C35 | C29 | C28 | N27 | 0.1° | 1.0° |
| C35 | C29 | C28 | N30 | 178.3° | 178.7° |
| C35 | C29 | N30 | C31 | 48.7° | 39.7° |
| C35 | C29 | N30 | C47 | 135.2° | 140.3° |
| C35 | C29 | C28 | H12 | 179.9° | 178.9° |
| C33 | C32 | C31 | C45 | 179.2° | 179.7° |
| C33 | C32 | C45 | C44 | 0.5° | 1.3° |
| C33 | C32 | C31 | N30 | 31.5° | 39.1° |
| C33 | C32 | C31 | O46 | 148.0° | 141.0° |
| C32 | C33 | C42 | H39 | 178.9° | 178.5° |
| C33 | C32 | C45 | H42 | 179.5° | 178.7° |
| C43 | C44 | C45 | C32 | 0.4° | 0.1° |
| C43 | C44 | C45 | H41 | 180.0° | 179.9° |
| C44 | C43 | C42 | H39 | 179.0° | 179.9° |
| C43 | C44 | C45 | H42 | 179.6° | 179.9° |
| N27 | C28 | C29 | H12 | 180.0° | 179.9° |
| N27 | C28 | C29 | N30 | 178.4° | 177.7° |
| C28 | C29 | N30 | C31 | 133.1° | 141.7° |
| C28 | C29 | N30 | C47 | 43.0° | 38.4° |
| C29 | N30 | C31 | C32 | 13.1° | 0.9° |
| C29 | N30 | C31 | C47 | 176.1° | 180.0° |
| C29 | N30 | C31 | O46 | 167.5° | 179.1° |
| N30 | C29 | C28 | H12 | 1.6° | 2.4° |
| C29 | N30 | C47 | H43 | 180.0° | 90.0° |
| C29 | N30 | C47 | H44 | 60.0° | 150.0° |
| C29 | N30 | C47 | H45 | 60.0° | 30.0° |
| C31 | C32 | C45 | C44 | 179.8° | 178.3° |
| C32 | C31 | N30 | O46 | 179.4° | 180.0° |
| C32 | C31 | N30 | C47 | 170.8° | 179.1° |
| C31 | C32 | C45 | H42 | 0.2° | 1.6° |
| C32 | C45 | C44 | H42 | 180.0° | 179.9° |
| C45 | C32 | C31 | N30 | 149.3° | 141.3° |
| C45 | C32 | C31 | O46 | 31.3° | 38.7° |
| C32 | C45 | C44 | H41 | 179.6° | 179.9° |
| C45 | C44 | C43 | H40 | 179.4° | 179.3° |
| C31 | N30 | C47 | H43 | 3.8° | 90.0° |
| C31 | N30 | C47 | H44 | 123.7° | 29.9° |
| C31 | N30 | C47 | H45 | 116.3° | 150.0° |
| C47 | N30 | C31 | O46 | 8.6° | 1.0° |
| N30 | C47 | H43 | H44 | 120.0° | 120.0° |
| N30 | C47 | H43 | H45 | 120.0° | 120.0° |
| N30 | C47 | H44 | H45 | 120.0° | 120.1° |
| H1 | C13 | C21 | H7 | 57.8° | 178.6° |
| H1 | C13 | C21 | H8 | 177.3° | 61.3° |
| H1 | C13 | C12 | H22 | 59.0° | 61.3° |
| H1 | C13 | C12 | H23 | 178.7° | 178.6° |
| H2 | C15 | C16 | H24 | 169.8° | 61.7° |
| H2 | C15 | C16 | H25 | 50.7° | 58.3° |
| H3 | C15 | C16 | H24 | 50.5° | 58.4° |
| H3 | C15 | C16 | H25 | 68.5° | 178.4° |
| H4 | C20 | H5 | H6 | 120.0° | 120.0° |
| H7 | C21 | C22 | H9 | 74.6° | 54.5° |
| H7 | C21 | C22 | H10 | 43.4° | 174.9° |
| H8 | C21 | C22 | H9 | 44.9° | 65.6° |
| H8 | C21 | C22 | H10 | 162.9° | 54.9° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H13 | C01 | C02 | H16 | 60.6° | 60.0° |
| H13 | C01 | C02 | H17 | 60.7° | 60.0° |
| H14 | C01 | C02 | H16 | 179.4° | 60.0° |
| H14 | C01 | C02 | H17 | 59.3° | 180.0° |
| H15 | C01 | C02 | H16 | 59.4° | NaN° |
| H15 | C01 | C02 | H17 | 179.3° | 60.0° |
| H18 | C06 | C07 | H19 | 0.4° | 0.0° |
| H20 | C11 | C12 | H22 | 72.2° | 54.8° |
| H20 | C11 | C12 | H23 | 47.4° | 174.9° |
| H21 | C11 | C12 | H22 | 46.1° | 65.5° |
| H21 | C11 | C12 | H23 | 165.7° | 54.6° |
| H26 | C18 | C19 | H28 | 163.4° | 178.4° |
| H26 | C18 | C19 | H29 | 44.7° | 58.4° |
| H27 | C18 | C19 | H28 | 44.5° | 58.4° |
| H27 | C18 | C19 | H29 | 74.2° | 61.6° |
| H30 | C37 | C38 | H31 | 158.7° | 0.1° |
| H30 | C37 | C38 | H32 | 37.9° | 121.3° |
| H30 | C37 | C41 | H37 | 18.5° | 145.6° |
| H30 | C37 | C41 | H38 | 138.5° | 22.9° |
| H31 | C38 | C39 | H33 | 37.8° | 23.1° |
| H31 | C38 | C39 | H34 | 160.0° | 145.7° |
| H32 | C38 | C39 | H33 | 83.0° | 98.3° |
| H32 | C38 | C39 | H34 | 39.2° | 24.3° |
| H33 | C39 | C40 | H35 | 90.9° | 38.3° |
| H33 | C39 | C40 | H36 | 30.4° | 85.0° |
| H34 | C39 | C40 | H35 | 31.3° | 160.9° |
| H34 | C39 | C40 | H36 | 152.6° | 37.6° |
| H35 | C40 | C41 | H37 | 12.5° | 160.9° |
| H35 | C40 | C41 | H38 | 107.6° | 38.3° |
| H36 | C40 | C41 | H37 | 133.8° | 37.5° |
| H36 | C40 | C41 | H38 | 13.7° | 85.0° |
| H39 | C42 | C43 | H40 | 1.0° | 0.1° |
| H40 | C43 | C44 | H41 | 0.6° | 0.8° |
| H41 | C44 | C45 | H42 | 0.4° | 0.2° |
| H43 | C47 | H44 | H45 | 120.0° | 120.0° |
