Y63
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.52Å | |
| C10 | C48 | doub | 1.41Å | 1.40Å | Aromatic |
| C13 | C01 | trip | 1.17Å | 1.19Å | |
| C15 | C14 | doub | 1.42Å | 1.35Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C18 | sing | 1.42Å | 1.40Å | Aromatic |
| C17 | C21 | sing | 1.55Å | 1.57Å | |
| C17 | C31 | sing | 1.54Å | 1.43Å | |
| C20 | C21 | sing | 1.54Å | 1.50Å | |
| C21 | N22 | sing | 1.48Å | 1.31Å | |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.43Å | 1.53Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C48 | sing | 1.41Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.36Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.41Å | 1.38Å | Aromatic |
| C06 | C48 | sing | 1.41Å | 1.42Å | Aromatic |
| C07 | C08 | sing | 1.36Å | 1.36Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | N17 | sing | 1.34Å | 1.33Å | Aromatic |
| C12 | C14 | sing | 1.40Å | 1.33Å | Aromatic |
| C12 | F13 | sing | 1.35Å | 1.37Å | |
| C14 | N47 | sing | 1.34Å | 1.34Å | Aromatic |
| C16 | N17 | doub | 1.31Å | 1.38Å | Aromatic |
| C18 | N19 | sing | 1.38Å | 1.46Å | |
| C18 | N35 | doub | 1.33Å | 1.35Å | Aromatic |
| C19 | C25 | sing | 1.51Å | 1.52Å | |
| C19 | O01 | doub | 1.21Å | 1.26Å | |
| C19 | O03 | sing | 1.34Å | 1.26Å | |
| C23 | N22 | sing | 1.35Å | 1.44Å | |
| C23 | O29 | doub | 1.21Å | 1.19Å | |
| C30 | C31 | sing | 1.55Å | 1.58Å | |
| C30 | C34 | sing | 1.54Å | 1.50Å | |
| C30 | N22 | sing | 1.48Å | 1.29Å | |
| C36 | N35 | sing | 1.33Å | 1.33Å | Aromatic |
| C36 | N47 | doub | 1.32Å | 1.32Å | Aromatic |
| C36 | O37 | sing | 1.35Å | 1.41Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | O37 | sing | 1.43Å | 1.40Å | |
| C39 | C43 | sing | 1.54Å | 1.53Å | |
| C39 | C46 | sing | 1.54Å | 1.52Å | |
| C39 | N40 | sing | 1.48Å | 1.43Å | |
| C41 | C42 | sing | 1.55Å | 1.55Å | |
| C41 | N40 | sing | 1.48Å | 1.47Å | |
| C42 | C43 | sing | 1.55Å | 1.53Å | |
| C44 | C45 | sing | 1.56Å | 1.57Å | |
| C44 | N40 | sing | 1.48Å | 1.47Å | |
| C45 | C46 | sing | 1.55Å | 1.53Å | |
| N19 | C20 | sing | 1.47Å | 1.79Å | |
| C13 | H1 | sing | 1.05Å | 1.06Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| C41 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å | |
| C42 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.09Å | 1.10Å | |
| C45 | H35 | sing | 1.09Å | 1.10Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| O03 | H40 | sing | 0.97Å | 0.95Å | |
| N19 | C34 | sing | 1.47Å | 1.80Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 112.3° | 120.3° |
| C09 | C10 | C48 | 118.5° | 119.3° |
| C10 | C09 | C08 | 123.3° | 120.6° |
| C10 | C09 | H14 | 118.3° | 119.7° |
| C11 | C10 | C48 | 128.8° | 120.4° |
| C10 | C11 | C12 | 113.1° | 119.3° |
| C10 | C11 | N17 | 124.8° | 119.3° |
| C10 | C48 | C02 | 126.1° | 121.2° |
| C10 | C48 | C06 | 116.7° | 119.4° |
| C13 | C01 | C02 | 179.3° | 179.9° |
| C01 | C13 | H1 | 180.0° | 179.9° |
| C14 | C15 | C16 | 120.4° | 119.2° |
| C14 | C15 | C18 | 120.0° | 118.2° |
| C15 | C14 | C12 | 117.3° | 118.3° |
| C15 | C14 | N47 | 119.1° | 119.0° |
| C16 | C15 | C18 | 119.7° | 122.6° |
| C15 | C16 | N17 | 121.2° | 120.2° |
| C15 | C16 | H15 | 119.4° | 120.0° |
| C15 | C18 | N19 | 121.0° | 120.9° |
| C15 | C18 | N35 | 120.1° | 118.2° |
| C21 | C17 | C31 | 104.0° | 104.6° |
| C17 | C21 | C20 | 108.3° | 107.6° |
| C17 | C21 | N22 | 102.1° | 104.1° |
| C21 | C17 | H2 | 110.8° | 110.4° |
| C21 | C17 | H3 | 110.8° | 110.4° |
| C17 | C21 | H6 | 109.8° | 112.4° |
| C17 | C31 | C30 | 103.5° | 104.6° |
| C31 | C17 | H2 | 110.8° | 110.4° |
| C31 | C17 | H3 | 110.8° | 110.4° |
| C17 | C31 | H19 | 110.9° | 110.4° |
| C17 | C31 | H20 | 110.9° | 110.4° |
| C20 | C21 | N22 | 111.2° | 107.0° |
| C21 | C20 | N19 | 114.5° | 109.0° |
| C21 | C20 | H4 | 108.2° | 109.5° |
| C21 | C20 | H5 | 108.2° | 109.5° |
| C20 | C21 | H6 | 110.8° | 112.3° |
| C21 | N22 | C23 | 123.7° | 128.4° |
| C21 | N22 | C30 | 113.9° | 103.1° |
| N22 | C21 | H6 | 114.1° | 113.0° |
| C23 | C24 | C25 | 108.6° | 109.5° |
| C24 | C23 | N22 | 118.0° | 120.0° |
| C24 | C23 | O29 | 121.3° | 120.0° |
| C23 | C24 | H7 | 109.7° | 109.5° |
| C23 | C24 | H8 | 109.7° | 109.5° |
| C24 | C25 | C19 | 106.9° | 109.5° |
| C25 | C24 | H7 | 109.7° | 109.5° |
| C25 | C24 | H8 | 109.7° | 109.5° |
| C24 | C25 | H16 | 110.1° | 109.4° |
| C24 | C25 | H17 | 110.1° | 109.5° |
| C01 | C02 | C03 | 118.5° | 120.3° |
| C01 | C02 | C48 | 122.9° | 120.4° |
| C03 | C02 | C48 | 118.6° | 119.3° |
| C02 | C03 | C04 | 123.0° | 120.6° |
| C02 | C03 | H9 | 118.5° | 119.7° |
| C02 | C48 | C06 | 117.1° | 119.4° |
| C03 | C04 | C05 | 120.0° | 121.2° |
| C04 | C03 | H9 | 118.5° | 119.7° |
| C03 | C04 | H10 | 120.0° | 119.4° |
| C04 | C05 | C06 | 117.9° | 120.1° |
| C05 | C04 | H10 | 120.0° | 119.4° |
| C04 | C05 | H11 | 121.1° | 119.9° |
| C05 | C06 | C07 | 113.9° | 121.0° |
| C05 | C06 | C48 | 123.4° | 119.5° |
| C06 | C05 | H11 | 121.0° | 119.9° |
| C07 | C06 | C48 | 122.7° | 119.5° |
| C06 | C07 | C08 | 119.3° | 120.0° |
| C06 | C07 | H12 | 120.4° | 119.9° |
| C07 | C08 | C09 | 119.3° | 121.1° |
| C08 | C07 | H12 | 120.3° | 120.0° |
| C07 | C08 | H13 | 120.4° | 119.4° |
| C09 | C08 | H13 | 120.3° | 119.5° |
| C08 | C09 | H14 | 118.3° | 119.7° |
| C12 | C11 | N17 | 121.5° | 121.4° |
| C11 | C12 | C14 | 122.9° | 118.4° |
| C11 | C12 | F13 | 118.8° | 120.8° |
| C11 | N17 | C16 | 116.5° | 122.5° |
| C14 | C12 | F13 | 118.3° | 120.8° |
| C12 | C14 | N47 | 123.5° | 122.8° |
| C14 | N47 | C36 | 118.7° | 120.3° |
| N17 | C16 | H15 | 119.4° | 119.8° |
| N19 | C18 | N35 | 118.8° | 120.9° |
| C18 | N19 | C20 | 114.4° | 111.0° |
| C18 | N19 | C34 | 113.5° | 111.0° |
| C18 | N35 | C36 | 115.7° | 121.5° |
| C25 | C19 | O01 | 119.1° | 120.0° |
| C25 | C19 | O03 | 119.9° | 120.0° |
| C19 | C25 | H16 | 110.1° | 109.5° |
| C19 | C25 | H17 | 110.1° | 109.5° |
| O01 | C19 | O03 | 121.0° | 119.9° |
| C19 | O03 | H40 | 109.5° | 117.0° |
| N22 | C23 | O29 | 120.6° | 120.0° |
| C23 | N22 | C30 | 122.3° | 128.5° |
| C31 | C30 | C34 | 111.1° | 107.7° |
| C31 | C30 | N22 | 102.1° | 104.0° |
| C31 | C30 | H18 | 108.7° | 112.3° |
| C30 | C31 | H19 | 111.0° | 110.5° |
| C30 | C31 | H20 | 110.9° | 110.4° |
| C34 | C30 | N22 | 112.0° | 107.0° |
| C34 | C30 | H18 | 109.6° | 112.3° |
| C30 | C34 | H21 | 108.5° | 109.5° |
| C30 | C34 | H22 | 108.5° | 109.6° |
| C30 | C34 | N19 | 113.2° | 108.9° |
| N22 | C30 | H18 | 113.1° | 112.9° |
| N35 | C36 | N47 | 126.4° | 122.9° |
| N35 | C36 | O37 | 117.5° | 118.6° |
| N47 | C36 | O37 | 116.1° | 118.6° |
| C36 | O37 | C38 | 116.2° | 117.0° |
| C39 | C38 | O37 | 107.7° | 109.5° |
| C38 | C39 | C43 | 109.6° | 110.8° |
| C38 | C39 | C46 | 110.5° | 110.8° |
| C38 | C39 | N40 | 109.1° | 110.8° |
| C39 | C38 | H24 | 109.9° | 109.5° |
| C39 | C38 | H25 | 109.9° | 109.4° |
| O37 | C38 | H24 | 109.9° | 109.5° |
| O37 | C38 | H25 | 109.9° | 109.5° |
| C43 | C39 | C46 | 109.1° | 109.0° |
| C43 | C39 | N40 | 108.9° | 107.2° |
| C39 | C43 | C42 | 102.8° | 103.0° |
| C39 | C43 | H30 | 111.1° | 110.7° |
| C39 | C43 | H31 | 111.1° | 110.7° |
| C46 | C39 | N40 | 109.6° | 108.0° |
| C39 | C46 | C45 | 104.1° | 103.2° |
| C39 | C46 | H36 | 110.8° | 110.6° |
| C39 | C46 | H37 | 110.8° | 110.6° |
| C39 | N40 | C41 | 108.3° | 108.4° |
| C39 | N40 | C44 | 109.0° | 108.3° |
| C42 | C41 | N40 | 105.4° | 104.9° |
| C41 | C42 | C43 | 101.8° | 101.7° |
| C42 | C41 | H26 | 110.5° | 110.3° |
| C42 | C41 | H27 | 110.5° | 110.3° |
| C41 | C42 | H28 | 111.4° | 111.0° |
| C41 | C42 | H29 | 111.3° | 111.0° |
| C41 | N40 | C44 | 106.6° | 109.7° |
| N40 | C41 | H26 | 110.5° | 110.3° |
| N40 | C41 | H27 | 110.5° | 110.4° |
| C43 | C42 | H28 | 111.4° | 111.0° |
| C43 | C42 | H29 | 111.3° | 111.0° |
| C42 | C43 | H30 | 111.1° | 110.7° |
| C42 | C43 | H31 | 111.1° | 110.7° |
| C45 | C44 | N40 | 105.0° | 104.8° |
| C44 | C45 | C46 | 102.6° | 102.0° |
| C45 | C44 | H32 | 110.6° | 110.4° |
| C45 | C44 | H33 | 110.6° | 110.4° |
| C44 | C45 | H34 | 111.2° | 111.0° |
| C44 | C45 | H35 | 111.1° | 111.0° |
| N40 | C44 | H32 | 110.6° | 111.6° |
| N40 | C44 | H33 | 110.6° | 109.1° |
| C46 | C45 | H34 | 111.2° | 112.1° |
| C46 | C45 | H35 | 111.2° | 109.6° |
| C45 | C46 | H36 | 110.8° | 110.7° |
| C45 | C46 | H37 | 110.8° | 110.7° |
| N19 | C20 | H4 | 108.2° | 109.5° |
| N19 | C20 | H5 | 108.2° | 109.6° |
| C20 | N19 | C34 | 102.1° | 111.6° |
| H2 | C17 | H3 | 109.5° | 110.5° |
| H4 | C20 | H5 | 109.5° | 109.6° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.4° |
| H19 | C31 | H20 | 109.5° | 110.5° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H21 | C34 | N19 | 108.5° | 109.6° |
| H22 | C34 | N19 | 108.6° | 109.7° |
| H24 | C38 | H25 | 109.5° | 109.5° |
| H26 | C41 | H27 | 109.4° | 110.4° |
| H28 | C42 | H29 | 109.5° | 110.9° |
| H30 | C43 | H31 | 109.5° | 110.8° |
| H32 | C44 | H33 | 109.5° | 110.4° |
| H34 | C45 | H35 | 109.4° | 110.9° |
| H36 | C46 | H37 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | C48 | 172.0° | 179.8° |
| C09 | C10 | C48 | C02 | 179.4° | 180.0° |
| C09 | C10 | C48 | C06 | 3.5° | 0.0° |
| C10 | C09 | C08 | C07 | 2.0° | 0.5° |
| C10 | C09 | C08 | H14 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 96.3° | 87.6° |
| C09 | C10 | C11 | N17 | 74.8° | 92.5° |
| C10 | C09 | C08 | H13 | 178.0° | 180.0° |
| C11 | C10 | C48 | C02 | 8.9° | 0.3° |
| C11 | C10 | C48 | C06 | 175.1° | 179.8° |
| C11 | C10 | C09 | C08 | 176.4° | 180.0° |
| C10 | C11 | C12 | N17 | 171.5° | 179.9° |
| C10 | C11 | C12 | C14 | 176.3° | 180.0° |
| C10 | C11 | C12 | F13 | 7.1° | 0.0° |
| C10 | C11 | N17 | C16 | 175.7° | 180.0° |
| C11 | C10 | C09 | H14 | 3.6° | 0.1° |
| C10 | C48 | C02 | C01 | 2.9° | 0.0° |
| C10 | C48 | C02 | C03 | 178.2° | 180.0° |
| C10 | C48 | C02 | C06 | 176.0° | 180.0° |
| C10 | C48 | C06 | C05 | 178.1° | 180.0° |
| C10 | C48 | C06 | C07 | 2.4° | 0.0° |
| C48 | C10 | C09 | C08 | 3.5° | 0.2° |
| C48 | C10 | C11 | C12 | 75.7° | 92.6° |
| C48 | C10 | C11 | N17 | 113.1° | 87.3° |
| C48 | C10 | C09 | H14 | 176.5° | 179.7° |
| C13 | C01 | C02 | C03 | 37.2° | 152.9° |
| C13 | C01 | C02 | C48 | 144.0° | 27.1° |
| C14 | C15 | C16 | C18 | 179.1° | 179.7° |
| C15 | C14 | C12 | C11 | 1.2° | 0.1° |
| C15 | C14 | C12 | N47 | 179.7° | 180.0° |
| C15 | C14 | C12 | F13 | 177.9° | 179.9° |
| C14 | C15 | C16 | N17 | 0.6° | 0.0° |
| C14 | C15 | C18 | N19 | 179.3° | 180.0° |
| C14 | C15 | C18 | N35 | 2.6° | 0.0° |
| C15 | C14 | N47 | C36 | 0.6° | 0.5° |
| C14 | C15 | C16 | H15 | 179.4° | 180.0° |
| C15 | C16 | N17 | C11 | 2.7° | 0.0° |
| C16 | C15 | C14 | C12 | 1.4° | 0.0° |
| C16 | C15 | C14 | N47 | 178.3° | 180.0° |
| C15 | C16 | N17 | H15 | 180.0° | 180.0° |
| C16 | C15 | C18 | N19 | 0.2° | 0.3° |
| C16 | C15 | C18 | N35 | 176.5° | 179.8° |
| C18 | C15 | C14 | C12 | 179.5° | 179.8° |
| C18 | C15 | C14 | N47 | 0.8° | 0.2° |
| C18 | C15 | C16 | N17 | 179.7° | 179.7° |
| C15 | C18 | N19 | N35 | 176.7° | 180.0° |
| C15 | C18 | N35 | C36 | 2.8° | 0.1° |
| C15 | C18 | N19 | C20 | 178.6° | 117.6° |
| C18 | C15 | C16 | H15 | 0.3° | 0.3° |
| C15 | C18 | N19 | C34 | 62.0° | 117.7° |
| C21 | C17 | C31 | H2 | 119.1° | 118.8° |
| C21 | C17 | C31 | H3 | 119.1° | 118.8° |
| C17 | C21 | C20 | N22 | 111.4° | 111.3° |
| C17 | C21 | C20 | H6 | 120.5° | 124.2° |
| C17 | C21 | N22 | H6 | 118.4° | 122.2° |
| C17 | C21 | N22 | C23 | 140.4° | 137.2° |
| C21 | C17 | C31 | C30 | 3.1° | 0.0° |
| C17 | C21 | N22 | C30 | 38.0° | 42.8° |
| C17 | C21 | C20 | N19 | 63.2° | 47.8° |
| C21 | C17 | H2 | H3 | 122.5° | 122.4° |
| C17 | C21 | C20 | H4 | 57.6° | 72.1° |
| C17 | C21 | C20 | H5 | 176.1° | 167.7° |
| C21 | C17 | C31 | H19 | 115.9° | 118.8° |
| C21 | C17 | C31 | H20 | 122.2° | 118.8° |
| C31 | C17 | C21 | C20 | 99.7° | 87.4° |
| C31 | C17 | C21 | N22 | 17.8° | 25.9° |
| C17 | C31 | C30 | H19 | 119.1° | 118.8° |
| C17 | C31 | C30 | H20 | 119.0° | 118.7° |
| C17 | C31 | C30 | C34 | 96.0° | 87.4° |
| C17 | C31 | C30 | N22 | 23.6° | 25.9° |
| C31 | C17 | H2 | H3 | 122.5° | 122.4° |
| C31 | C17 | C21 | H6 | 139.2° | 148.4° |
| C17 | C31 | C30 | H18 | 143.3° | 148.4° |
| C17 | C31 | H19 | H20 | 122.8° | 122.4° |
| C20 | C21 | N22 | H6 | 126.3° | 124.0° |
| C21 | C20 | N19 | C18 | 97.7° | 69.2° |
| C20 | C21 | N22 | C23 | 104.2° | 109.1° |
| C20 | C21 | N22 | C30 | 77.4° | 70.9° |
| C21 | C20 | N19 | H4 | 120.8° | 119.8° |
| C21 | C20 | N19 | H5 | 120.7° | 119.9° |
| C20 | C21 | C17 | H2 | 141.2° | 153.8° |
| C20 | C21 | C17 | H3 | 19.5° | 31.4° |
| C21 | C20 | H4 | H5 | 117.7° | 120.2° |
| C21 | C20 | N19 | C34 | 25.4° | 55.2° |
| C21 | N22 | C23 | C24 | 0.5° | 180.0° |
| C21 | N22 | C23 | C30 | 178.3° | 180.0° |
| C21 | N22 | C23 | O29 | 179.3° | 0.0° |
| C21 | N22 | C30 | C31 | 40.1° | 42.8° |
| C21 | N22 | C30 | C34 | 78.8° | 71.0° |
| N22 | C21 | C20 | N19 | 48.3° | 63.5° |
| N22 | C21 | C17 | H2 | 101.3° | 92.9° |
| N22 | C21 | C17 | H3 | 137.0° | 144.7° |
| N22 | C21 | C20 | H4 | 169.0° | 176.6° |
| N22 | C21 | C20 | H5 | 72.5° | 56.4° |
| C21 | N22 | C30 | H18 | 156.7° | 164.9° |
| C23 | C24 | C25 | H7 | 119.9° | 120.0° |
| C23 | C24 | C25 | H8 | 119.9° | 120.0° |
| C23 | C24 | C25 | C19 | 173.0° | 180.0° |
| C24 | C23 | N22 | O29 | 178.8° | 180.0° |
| C24 | C23 | N22 | C30 | 177.8° | 0.0° |
| C23 | C24 | H7 | H8 | 120.4° | 120.0° |
| C23 | C24 | C25 | H16 | 53.4° | 60.0° |
| C23 | C24 | C25 | H17 | 67.4° | 59.9° |
| C24 | C25 | C19 | H16 | 119.6° | 119.9° |
| C24 | C25 | C19 | H17 | 119.6° | 120.1° |
| C24 | C25 | C19 | O01 | 83.5° | 0.0° |
| C24 | C25 | C19 | O03 | 95.8° | 180.0° |
| C25 | C24 | C23 | N22 | 167.9° | 180.0° |
| C25 | C24 | C23 | O29 | 13.3° | 0.0° |
| C25 | C24 | H7 | H8 | 120.4° | 120.0° |
| C24 | C25 | H16 | H17 | 121.2° | 119.9° |
| C01 | C02 | C03 | C48 | 178.9° | 180.0° |
| C01 | C02 | C03 | C04 | 179.7° | 180.0° |
| C01 | C02 | C48 | C06 | 178.9° | 180.0° |
| C02 | C01 | C13 | H1 | 55.0° | 146.0° |
| C01 | C02 | C03 | H9 | 0.4° | 0.0° |
| C02 | C03 | C04 | H9 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C03 | C02 | C48 | C06 | 2.3° | 0.0° |
| C02 | C03 | C04 | H10 | 179.9° | 180.0° |
| C48 | C02 | C03 | C04 | 1.5° | 0.0° |
| C02 | C48 | C06 | C05 | 1.8° | 0.0° |
| C02 | C48 | C06 | C07 | 178.7° | 180.0° |
| C48 | C02 | C03 | H9 | 178.5° | 180.0° |
| C03 | C04 | C05 | H10 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.7° | 0.1° |
| C03 | C04 | C05 | H11 | 179.3° | 180.0° |
| C04 | C05 | C06 | H11 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 179.8° | 180.0° |
| C04 | C05 | C06 | C48 | 0.2° | 0.1° |
| C05 | C04 | C03 | H9 | 179.9° | 179.9° |
| C05 | C06 | C07 | C48 | 179.6° | 180.0° |
| C05 | C06 | C07 | C08 | 179.5° | 179.7° |
| C06 | C05 | C04 | H10 | 179.3° | 180.0° |
| C05 | C06 | C07 | H12 | 0.5° | 0.0° |
| C06 | C07 | C08 | H12 | 180.0° | 179.7° |
| C06 | C07 | C08 | C09 | 0.7° | 0.5° |
| C07 | C06 | C05 | H11 | 0.2° | 0.0° |
| C06 | C07 | C08 | H13 | 179.3° | 180.0° |
| C48 | C06 | C07 | C08 | 0.9° | 0.2° |
| C48 | C06 | C05 | H11 | 179.7° | 180.0° |
| C48 | C06 | C07 | H12 | 179.1° | 179.9° |
| C07 | C08 | C09 | H13 | 180.0° | 179.5° |
| C07 | C08 | C09 | H14 | 178.0° | 179.4° |
| C09 | C08 | C07 | H12 | 179.4° | 179.8° |
| C11 | C12 | C14 | F13 | 176.7° | 180.0° |
| C11 | C12 | C14 | N47 | 179.1° | 179.9° |
| C12 | C11 | N17 | C16 | 5.3° | 0.1° |
| N17 | C11 | C12 | C14 | 4.8° | 0.1° |
| N17 | C11 | C12 | F13 | 178.6° | 179.9° |
| C11 | N17 | C16 | H15 | 177.3° | 180.0° |
| C12 | C14 | N47 | C36 | 179.0° | 179.5° |
| F13 | C12 | C14 | N47 | 2.5° | 0.1° |
| C14 | N47 | C36 | N35 | 0.4° | 0.5° |
| C14 | N47 | C36 | O37 | 178.8° | 179.8° |
| C18 | N19 | C34 | C30 | 98.1° | 69.2° |
| N19 | C18 | N35 | C36 | 179.5° | 180.0° |
| C18 | N19 | C20 | C34 | 123.1° | 124.4° |
| C18 | N19 | C20 | H4 | 23.1° | 50.6° |
| C18 | N19 | C20 | H5 | 141.6° | 170.9° |
| C18 | N19 | C34 | H21 | 141.3° | 171.0° |
| C18 | N19 | C34 | H22 | 22.4° | 50.7° |
| C18 | N35 | C36 | N47 | 1.4° | 0.3° |
| C18 | N35 | C36 | O37 | 179.5° | 180.0° |
| N35 | C18 | N19 | C20 | 4.7° | 62.4° |
| N35 | C18 | N19 | C34 | 121.3° | 62.4° |
| C25 | C19 | O01 | O03 | 179.3° | 180.0° |
| C19 | C25 | C24 | H7 | 67.2° | 60.0° |
| C19 | C25 | C24 | H8 | 53.1° | 60.0° |
| C19 | C25 | H16 | H17 | 121.2° | 120.1° |
| C25 | C19 | O03 | H40 | 179.3° | 180.0° |
| O01 | C19 | C25 | H16 | 156.9° | 120.0° |
| O01 | C19 | C25 | H17 | 36.1° | 120.0° |
| O01 | C19 | O03 | H40 | 0.0° | 0.0° |
| O03 | C19 | C25 | H16 | 23.8° | 60.1° |
| O03 | C19 | C25 | H17 | 144.6° | 59.9° |
| C23 | N22 | C30 | C31 | 138.3° | 137.1° |
| C23 | N22 | C30 | C34 | 102.7° | 109.1° |
| C23 | N22 | C21 | H6 | 22.0° | 14.9° |
| N22 | C23 | C24 | H7 | 48.0° | 60.0° |
| N22 | C23 | C24 | H8 | 72.3° | 60.0° |
| C23 | N22 | C30 | H18 | 21.7° | 15.0° |
| O29 | C23 | N22 | C30 | 1.0° | 180.0° |
| O29 | C23 | C24 | H7 | 133.2° | 120.0° |
| O29 | C23 | C24 | H8 | 106.5° | 120.0° |
| C31 | C30 | C34 | N22 | 113.4° | 111.3° |
| C31 | C30 | C34 | H18 | 120.2° | 124.2° |
| C31 | C30 | N22 | H18 | 116.6° | 122.1° |
| C30 | C31 | C17 | H2 | 122.2° | 118.8° |
| C30 | C31 | C17 | H3 | 116.0° | 118.7° |
| C30 | C31 | H19 | H20 | 122.8° | 122.4° |
| C31 | C30 | C34 | H21 | 175.8° | 167.7° |
| C31 | C30 | C34 | H22 | 56.9° | 72.2° |
| C31 | C30 | C34 | N19 | 63.6° | 47.8° |
| C34 | C30 | N22 | H18 | 124.5° | 124.1° |
| C30 | C34 | N19 | C20 | 25.5° | 55.2° |
| C34 | C30 | C31 | H19 | 145.0° | 153.8° |
| C34 | C30 | C31 | H20 | 23.1° | 31.3° |
| C30 | C34 | H21 | H22 | 118.3° | 120.2° |
| C30 | C34 | H21 | N19 | 123.4° | 119.5° |
| C30 | C34 | H22 | N19 | 123.4° | 119.5° |
| C30 | N22 | C21 | H6 | 156.4° | 165.0° |
| N22 | C30 | C31 | H19 | 95.5° | 92.8° |
| N22 | C30 | C31 | H20 | 142.6° | 144.7° |
| N22 | C30 | C34 | H21 | 70.7° | 56.3° |
| N22 | C30 | C34 | H22 | 170.4° | 176.5° |
| N22 | C30 | C34 | N19 | 49.8° | 63.5° |
| N35 | C36 | N47 | O37 | 179.1° | 179.7° |
| N35 | C36 | O37 | C38 | 14.6° | 180.0° |
| N47 | C36 | O37 | C38 | 164.6° | 0.3° |
| C36 | O37 | C38 | C39 | 156.8° | 180.0° |
| C36 | O37 | C38 | H24 | 37.1° | 60.0° |
| C36 | O37 | C38 | H25 | 83.5° | 60.0° |
| C39 | C38 | O37 | H24 | 119.7° | 120.0° |
| C39 | C38 | O37 | H25 | 119.7° | 120.0° |
| C38 | C39 | C43 | C46 | 121.2° | 122.3° |
| C38 | C39 | C43 | N40 | 119.3° | 121.1° |
| C38 | C39 | C46 | N40 | 120.3° | 121.6° |
| C38 | C39 | N40 | C41 | 120.8° | 121.7° |
| C38 | C39 | C43 | C42 | 142.1° | 98.5° |
| C38 | C39 | N40 | C44 | 123.5° | 119.4° |
| C38 | C39 | C46 | C45 | 102.9° | 142.2° |
| C39 | C38 | H24 | H25 | 120.8° | 120.0° |
| C38 | C39 | C43 | H30 | 23.2° | 19.9° |
| C38 | C39 | C43 | H31 | 99.0° | 143.2° |
| C38 | C39 | C46 | H36 | 137.9° | 99.3° |
| C38 | C39 | C46 | H37 | 16.2° | 23.8° |
| O37 | C38 | C39 | C43 | 54.4° | 61.0° |
| O37 | C38 | C39 | C46 | 174.7° | 60.2° |
| O37 | C38 | C39 | N40 | 64.8° | 179.9° |
| O37 | C38 | H24 | H25 | 120.9° | 120.0° |
| C43 | C39 | C46 | N40 | 119.1° | 116.2° |
| C39 | C43 | C42 | C41 | 33.7° | 35.9° |
| C43 | C39 | N40 | C41 | 1.2° | 0.6° |
| C39 | C43 | C42 | H30 | 118.9° | 118.4° |
| C39 | C43 | C42 | H31 | 118.9° | 118.4° |
| C43 | C39 | N40 | C44 | 116.9° | 119.6° |
| C43 | C39 | C46 | C45 | 136.5° | 95.5° |
| C43 | C39 | C38 | H24 | 174.1° | 59.0° |
| C43 | C39 | C38 | H25 | 65.3° | 179.0° |
| C39 | C43 | C42 | H28 | 85.0° | 153.9° |
| C39 | C43 | C42 | H29 | 152.5° | 82.2° |
| C39 | C43 | H30 | H31 | 123.1° | 123.2° |
| C43 | C39 | C46 | H36 | 17.3° | 22.9° |
| C43 | C39 | C46 | H37 | 104.4° | 146.1° |
| C46 | C39 | N40 | C41 | 118.0° | 116.7° |
| C46 | C39 | C43 | C42 | 96.7° | 139.3° |
| C39 | C46 | C45 | C44 | 28.6° | 34.0° |
| C46 | C39 | N40 | C44 | 2.4° | 2.2° |
| C39 | C46 | C45 | H36 | 119.2° | 118.4° |
| C39 | C46 | C45 | H37 | 119.2° | 118.3° |
| C46 | C39 | C38 | H24 | 65.6° | 179.8° |
| C46 | C39 | C38 | H25 | 55.0° | 59.8° |
| C46 | C39 | C43 | H30 | 144.4° | 102.3° |
| C46 | C39 | C43 | H31 | 22.2° | 20.9° |
| C39 | C46 | C45 | H34 | 90.3° | 152.8° |
| C39 | C46 | C45 | H35 | 147.5° | 83.7° |
| C39 | C46 | H36 | H37 | 122.5° | 123.0° |
| C39 | N40 | C41 | C42 | 20.8° | 23.9° |
| C39 | N40 | C41 | C44 | 117.1° | 118.1° |
| N40 | C39 | C43 | C42 | 22.8° | 22.6° |
| C39 | N40 | C44 | C45 | 20.8° | 24.2° |
| N40 | C39 | C46 | C45 | 17.4° | 20.6° |
| N40 | C39 | C38 | H24 | 54.9° | 59.9° |
| N40 | C39 | C38 | H25 | 175.5° | 60.1° |
| C39 | N40 | C41 | H26 | 98.6° | 142.7° |
| C39 | N40 | C41 | H27 | 140.2° | 95.0° |
| N40 | C39 | C43 | H30 | 96.1° | 141.0° |
| N40 | C39 | C43 | H31 | 141.7° | 95.7° |
| C39 | N40 | C44 | H32 | 98.5° | 143.7° |
| C39 | N40 | C44 | H33 | 140.1° | 94.1° |
| N40 | C39 | C46 | H36 | 101.8° | 139.1° |
| N40 | C39 | C46 | H37 | 136.5° | 97.8° |
| C42 | C41 | N40 | H26 | 119.4° | 118.8° |
| C42 | C41 | N40 | H27 | 119.4° | 118.8° |
| C41 | C42 | C43 | H28 | 118.8° | 118.1° |
| C41 | C42 | C43 | H29 | 118.7° | 118.1° |
| C42 | C41 | N40 | C44 | 96.3° | 141.9° |
| C42 | C41 | H26 | H27 | 121.9° | 122.2° |
| C41 | C42 | H28 | H29 | 123.6° | 123.8° |
| C41 | C42 | C43 | H30 | 85.2° | 154.2° |
| C41 | C42 | C43 | H31 | 152.7° | 82.5° |
| N40 | C41 | C42 | C43 | 34.1° | 37.1° |
| C41 | N40 | C44 | C45 | 137.5° | 94.0° |
| N40 | C41 | H26 | H27 | 121.9° | 122.3° |
| N40 | C41 | C42 | H28 | 84.6° | 155.2° |
| N40 | C41 | C42 | H29 | 152.9° | 81.0° |
| C41 | N40 | C44 | H32 | 18.2° | 25.5° |
| C41 | N40 | C44 | H33 | 103.2° | 147.8° |
| C43 | C42 | C41 | H26 | 85.2° | 155.9° |
| C43 | C42 | C41 | H27 | 153.5° | 81.8° |
| C43 | C42 | H28 | H29 | 123.6° | 123.9° |
| C42 | C43 | H30 | H31 | 123.1° | 123.2° |
| C45 | C44 | N40 | H32 | 119.3° | 119.5° |
| C45 | C44 | N40 | H33 | 119.3° | 118.3° |
| C44 | C45 | C46 | H34 | 118.9° | 118.8° |
| C44 | C45 | C46 | H35 | 118.9° | 117.7° |
| C45 | C44 | H32 | H33 | 122.1° | 122.3° |
| C44 | C45 | H34 | H35 | 123.1° | 123.9° |
| C44 | C45 | C46 | H36 | 90.6° | 152.4° |
| C44 | C45 | C46 | H37 | 147.8° | 84.4° |
| N40 | C44 | C45 | C46 | 30.6° | 36.2° |
| C44 | N40 | C41 | H26 | 144.3° | 99.3° |
| C44 | N40 | C41 | H27 | 23.0° | 23.1° |
| N40 | C44 | H32 | H33 | 122.1° | 121.5° |
| N40 | C44 | C45 | H34 | 88.4° | 155.8° |
| N40 | C44 | C45 | H35 | 149.5° | 80.4° |
| C46 | C45 | C44 | H32 | 88.7° | 156.5° |
| C46 | C45 | C44 | H33 | 149.9° | 81.2° |
| C46 | C45 | H34 | H35 | 123.2° | 122.8° |
| C45 | C46 | H36 | H37 | 122.4° | 123.2° |
| N19 | C20 | H4 | H5 | 117.7° | 120.3° |
| N19 | C20 | C21 | H6 | 176.3° | 172.0° |
| C20 | N19 | C34 | H21 | 95.0° | 64.6° |
| C20 | N19 | C34 | H22 | 146.1° | 175.1° |
| H2 | C17 | C21 | H6 | 20.1° | 29.7° |
| H2 | C17 | C31 | H19 | 3.2° | 0.0° |
| H2 | C17 | C31 | H20 | 118.7° | 122.5° |
| H3 | C17 | C21 | H6 | 101.7° | 92.7° |
| H3 | C17 | C31 | H19 | 124.9° | 122.4° |
| H3 | C17 | C31 | H20 | 3.0° | 0.0° |
| H4 | C20 | C21 | H6 | 62.9° | 52.2° |
| H4 | C20 | N19 | C34 | 146.1° | 175.0° |
| H5 | C20 | C21 | H6 | 55.6° | 68.1° |
| H5 | C20 | N19 | C34 | 95.4° | 64.7° |
| H7 | C24 | C25 | H16 | 173.3° | 180.0° |
| H7 | C24 | C25 | H17 | 52.4° | 60.1° |
| H8 | C24 | C25 | H16 | 66.5° | 60.0° |
| H8 | C24 | C25 | H17 | 172.7° | 179.9° |
| H9 | C03 | C04 | H10 | 0.1° | 0.0° |
| H10 | C04 | C05 | H11 | 0.7° | 0.1° |
| H12 | C07 | C08 | H13 | 0.7° | 0.3° |
| H13 | C08 | C09 | H14 | 2.0° | 0.1° |
| H18 | C30 | C31 | H19 | 24.2° | 29.7° |
| H18 | C30 | C31 | H20 | 97.7° | 92.8° |
| H18 | C30 | C34 | H21 | 55.7° | 68.2° |
| H18 | C30 | C34 | H22 | 63.3° | 52.0° |
| H18 | C30 | C34 | N19 | 176.2° | 172.0° |
| H21 | C34 | H22 | N19 | 118.3° | 120.3° |
| H26 | C41 | C42 | H28 | 156.0° | 86.0° |
| H26 | C41 | C42 | H29 | 33.5° | 37.8° |
| H27 | C41 | C42 | H28 | 34.7° | 36.3° |
| H27 | C41 | C42 | H29 | 87.8° | 160.1° |
| H28 | C42 | C43 | H30 | 156.1° | 87.7° |
| H28 | C42 | C43 | H31 | 33.9° | 35.6° |
| H29 | C42 | C43 | H30 | 33.6° | 36.2° |
| H29 | C42 | C43 | H31 | 88.6° | 159.4° |
| H32 | C44 | C45 | H34 | 152.4° | 84.0° |
| H32 | C44 | C45 | H35 | 30.2° | 39.9° |
| H33 | C44 | C45 | H34 | 30.9° | 38.4° |
| H33 | C44 | C45 | H35 | 91.2° | 162.2° |
| H34 | C45 | C46 | H36 | 150.5° | 88.8° |
| H34 | C45 | C46 | H37 | 28.9° | 34.4° |
| H35 | C45 | C46 | H36 | 28.3° | 34.7° |
| H35 | C45 | C46 | H37 | 93.3° | 158.0° |
