6I2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C55 | doub | 1.37Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C55 | C54 | sing | 1.40Å | 1.40Å | Aromatic |
| O52 | C51 | doub | 1.21Å | 1.26Å | |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C50 | C51 | sing | 1.51Å | 1.53Å | |
| C50 | C49 | sing | 1.51Å | 1.53Å | |
| C54 | C49 | sing | 1.46Å | 1.47Å | Aromatic |
| C54 | C05 | doub | 1.41Å | 1.39Å | Aromatic |
| C51 | O53 | sing | 1.34Å | 1.25Å | |
| C49 | C07 | doub | 1.36Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.42Å | Aromatic |
| C05 | O06 | sing | 1.35Å | 1.33Å | Aromatic |
| C07 | O06 | sing | 1.35Å | 1.31Å | Aromatic |
| C07 | C08 | sing | 1.43Å | 1.54Å | |
| C08 | C09 | trip | 1.17Å | 1.20Å | |
| C09 | C10 | sing | 1.43Å | 1.55Å | |
| C10 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C48 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C48 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C15 | N16 | sing | 1.47Å | 1.48Å | |
| N16 | C17 | sing | 1.47Å | 1.48Å | |
| N16 | C47 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C47 | C46 | sing | 1.53Å | 1.53Å | |
| C18 | N19 | sing | 1.47Å | 1.45Å | |
| C46 | N19 | sing | 1.47Å | 1.46Å | |
| N19 | C20 | sing | 1.47Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.57Å | |
| C21 | N22 | sing | 1.47Å | 1.48Å | |
| N22 | C23 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.51Å | 1.55Å | |
| C45 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C43 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.43Å | 1.53Å | |
| C27 | C28 | trip | 1.17Å | 1.20Å | |
| C28 | C29 | sing | 1.43Å | 1.53Å | |
| O42 | C29 | sing | 1.35Å | 1.30Å | Aromatic |
| O42 | C41 | sing | 1.35Å | 1.33Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.41Å | Aromatic |
| O33 | C32 | doub | 1.21Å | 1.26Å | |
| C41 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C41 | C35 | sing | 1.41Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | C35 | sing | 1.46Å | 1.44Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.56Å | |
| C32 | O34 | sing | 1.34Å | 1.27Å | |
| C35 | C36 | doub | 1.40Å | 1.39Å | Aromatic |
| C39 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | C37 | sing | 1.37Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.51Å | 1.54Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.08Å | 1.08Å | |
| C04 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.08Å | 1.08Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.08Å | 1.08Å | |
| C40 | H29 | sing | 1.08Å | 1.08Å | |
| C43 | H30 | sing | 1.08Å | 1.08Å | |
| C44 | H31 | sing | 1.08Å | 1.08Å | |
| C45 | H32 | sing | 1.08Å | 1.08Å | |
| C46 | H33 | sing | 1.09Å | 1.10Å | |
| C46 | H34 | sing | 1.09Å | 1.10Å | |
| C47 | H35 | sing | 1.09Å | 1.10Å | |
| C47 | H36 | sing | 1.09Å | 1.10Å | |
| C48 | H37 | sing | 1.08Å | 1.08Å | |
| C50 | H38 | sing | 1.09Å | 1.10Å | |
| C50 | H39 | sing | 1.09Å | 1.10Å | |
| C55 | H40 | sing | 1.08Å | 1.08Å | |
| N22 | H43 | sing | 1.01Å | 1.00Å | |
| O34 | H45 | sing | 0.97Å | 0.95Å | |
| O53 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C55 | 118.9° | 119.7° |
| C01 | C02 | C03 | 120.7° | 119.9° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C55 | C02 | C03 | 120.3° | 120.4° |
| C02 | C55 | C54 | 120.0° | 119.7° |
| C02 | C55 | H40 | 120.0° | 120.2° |
| C02 | C03 | C04 | 120.1° | 120.8° |
| C02 | C03 | H13 | 120.0° | 119.6° |
| C55 | C54 | C49 | 133.3° | 134.2° |
| C55 | C54 | C05 | 119.9° | 120.1° |
| C54 | C55 | H40 | 120.0° | 120.1° |
| O52 | C51 | C50 | 121.5° | 120.0° |
| O52 | C51 | O53 | 119.5° | 120.0° |
| C03 | C04 | C05 | 119.1° | 119.9° |
| C04 | C03 | H13 | 120.0° | 119.6° |
| C03 | C04 | H14 | 120.5° | 120.1° |
| C51 | C50 | C49 | 110.7° | 109.4° |
| C50 | C51 | O53 | 118.9° | 120.0° |
| C51 | C50 | H38 | 109.2° | 109.4° |
| C51 | C50 | H39 | 109.2° | 109.4° |
| C50 | C49 | C54 | 127.6° | 127.0° |
| C50 | C49 | C07 | 129.7° | 126.9° |
| C49 | C50 | H38 | 109.1° | 109.5° |
| C49 | C50 | H39 | 109.2° | 109.5° |
| C49 | C54 | C05 | 106.9° | 105.7° |
| C54 | C49 | C07 | 102.6° | 106.1° |
| C54 | C05 | C04 | 120.7° | 119.2° |
| C54 | C05 | O06 | 108.4° | 107.6° |
| C51 | O53 | H46 | 109.5° | 117.0° |
| C49 | C07 | O06 | 111.0° | 109.7° |
| C49 | C07 | C08 | 127.9° | 125.2° |
| C04 | C05 | O06 | 130.9° | 133.3° |
| C05 | C04 | H14 | 120.4° | 120.1° |
| C05 | O06 | C07 | 111.1° | 110.9° |
| O06 | C07 | C08 | 121.0° | 125.1° |
| C07 | C08 | C09 | 173.0° | 180.0° |
| C08 | C09 | C10 | 173.2° | 180.0° |
| C09 | C10 | C11 | 122.3° | 120.2° |
| C09 | C10 | C48 | 116.7° | 120.1° |
| C11 | C10 | C48 | 121.0° | 119.6° |
| C10 | C11 | C12 | 119.4° | 119.9° |
| C10 | C11 | H15 | 120.3° | 120.1° |
| C10 | C48 | C14 | 119.3° | 119.8° |
| C10 | C48 | H37 | 120.3° | 120.1° |
| C11 | C12 | C13 | 119.8° | 120.2° |
| C12 | C11 | H15 | 120.3° | 120.1° |
| C11 | C12 | H16 | 120.1° | 119.9° |
| C48 | C14 | C13 | 120.3° | 120.2° |
| C48 | C14 | C15 | 117.8° | 119.9° |
| C14 | C48 | H37 | 120.3° | 120.1° |
| C12 | C13 | C14 | 120.1° | 120.4° |
| C12 | C13 | H1 | 120.0° | 119.9° |
| C13 | C12 | H16 | 120.1° | 119.9° |
| C13 | C14 | C15 | 121.8° | 119.9° |
| C14 | C13 | H1 | 119.9° | 119.8° |
| C14 | C15 | N16 | 112.7° | 109.5° |
| C14 | C15 | H2 | 108.7° | 109.4° |
| C14 | C15 | H3 | 108.6° | 109.5° |
| C15 | N16 | C17 | 106.2° | 111.0° |
| C15 | N16 | C47 | 105.0° | 111.0° |
| N16 | C15 | H2 | 108.6° | 109.5° |
| N16 | C15 | H3 | 108.7° | 109.5° |
| C17 | N16 | C47 | 116.6° | 110.9° |
| N16 | C17 | C18 | 116.8° | 109.4° |
| N16 | C17 | H4 | 107.6° | 109.5° |
| N16 | C17 | H5 | 107.6° | 109.6° |
| N16 | C47 | C46 | 115.9° | 109.4° |
| N16 | C47 | H35 | 107.9° | 109.5° |
| N16 | C47 | H36 | 107.8° | 109.5° |
| C17 | C18 | N19 | 111.8° | 109.4° |
| C18 | C17 | H4 | 107.6° | 109.4° |
| C18 | C17 | H5 | 107.6° | 109.5° |
| C17 | C18 | H17 | 108.9° | 109.5° |
| C17 | C18 | H18 | 108.9° | 109.5° |
| C47 | C46 | N19 | 112.4° | 109.3° |
| C47 | C46 | H33 | 108.7° | 109.5° |
| C47 | C46 | H34 | 108.8° | 109.5° |
| C46 | C47 | H35 | 107.8° | 109.5° |
| C46 | C47 | H36 | 107.8° | 109.5° |
| C18 | N19 | C46 | 110.4° | 110.9° |
| C18 | N19 | C20 | 110.2° | 111.0° |
| N19 | C18 | H17 | 108.9° | 109.5° |
| N19 | C18 | H18 | 108.9° | 109.5° |
| C46 | N19 | C20 | 108.4° | 111.0° |
| N19 | C46 | H33 | 108.7° | 109.5° |
| N19 | C46 | H34 | 108.7° | 109.4° |
| N19 | C20 | C21 | 107.7° | 109.5° |
| N19 | C20 | H6 | 109.9° | 109.5° |
| N19 | C20 | H7 | 109.9° | 109.4° |
| C20 | C21 | N22 | 109.9° | 109.5° |
| C21 | C20 | H6 | 109.9° | 109.5° |
| C21 | C20 | H7 | 109.9° | 109.5° |
| C20 | C21 | H8 | 109.4° | 109.4° |
| C20 | C21 | H9 | 109.4° | 109.4° |
| C21 | N22 | C23 | 107.1° | 111.0° |
| N22 | C21 | H8 | 109.4° | 109.5° |
| N22 | C21 | H9 | 109.4° | 109.5° |
| C21 | N22 | H43 | 110.1° | 111.0° |
| N22 | C23 | C24 | 110.4° | 109.5° |
| N22 | C23 | H19 | 109.3° | 109.5° |
| N22 | C23 | H20 | 109.3° | 109.4° |
| C23 | N22 | H43 | 110.0° | 111.0° |
| C23 | C24 | C45 | 122.0° | 119.9° |
| C23 | C24 | C25 | 118.0° | 119.9° |
| C24 | C23 | H19 | 109.3° | 109.5° |
| C24 | C23 | H20 | 109.2° | 109.4° |
| C24 | C45 | C44 | 119.9° | 120.3° |
| C45 | C24 | C25 | 120.0° | 120.2° |
| C24 | C45 | H32 | 120.1° | 119.8° |
| C45 | C44 | C43 | 120.5° | 120.2° |
| C45 | C44 | H31 | 119.7° | 119.9° |
| C44 | C45 | H32 | 120.1° | 119.9° |
| C24 | C25 | C26 | 119.8° | 119.9° |
| C24 | C25 | H21 | 120.1° | 120.1° |
| C44 | C43 | C26 | 118.6° | 119.8° |
| C44 | C43 | H30 | 120.7° | 120.1° |
| C43 | C44 | H31 | 119.8° | 119.9° |
| C25 | C26 | C43 | 121.3° | 119.6° |
| C25 | C26 | C27 | 115.0° | 120.2° |
| C26 | C25 | H21 | 120.1° | 120.0° |
| C43 | C26 | C27 | 123.7° | 120.2° |
| C26 | C43 | H30 | 120.7° | 120.1° |
| C26 | C27 | C28 | 172.0° | 180.0° |
| C27 | C28 | C29 | 175.8° | 180.0° |
| C28 | C29 | O42 | 124.2° | 125.2° |
| C28 | C29 | C30 | 125.0° | 125.1° |
| C29 | O42 | C41 | 110.5° | 110.9° |
| O42 | C29 | C30 | 110.8° | 109.7° |
| O42 | C41 | C40 | 130.8° | 133.2° |
| O42 | C41 | C35 | 108.9° | 107.6° |
| C29 | C30 | C31 | 128.4° | 127.0° |
| C29 | C30 | C35 | 103.7° | 106.1° |
| O33 | C32 | C31 | 119.1° | 120.0° |
| O33 | C32 | O34 | 119.8° | 120.0° |
| C40 | C41 | C35 | 120.4° | 119.2° |
| C41 | C40 | C39 | 118.8° | 119.8° |
| C41 | C40 | H29 | 120.6° | 120.1° |
| C41 | C35 | C30 | 106.2° | 105.7° |
| C41 | C35 | C36 | 120.6° | 120.1° |
| C40 | C39 | C37 | 120.5° | 120.8° |
| C40 | C39 | H28 | 119.7° | 119.6° |
| C39 | C40 | H29 | 120.6° | 120.1° |
| C31 | C30 | C35 | 128.0° | 127.0° |
| C30 | C31 | C32 | 110.6° | 109.5° |
| C30 | C31 | H22 | 109.2° | 109.5° |
| C30 | C31 | H23 | 109.2° | 109.5° |
| C30 | C35 | C36 | 133.2° | 134.2° |
| C31 | C32 | O34 | 121.1° | 120.0° |
| C32 | C31 | H22 | 109.2° | 109.5° |
| C32 | C31 | H23 | 109.2° | 109.4° |
| C32 | O34 | H45 | 109.5° | 117.0° |
| C35 | C36 | C37 | 119.3° | 119.7° |
| C35 | C36 | H24 | 120.3° | 120.2° |
| C39 | C37 | C36 | 120.5° | 120.4° |
| C39 | C37 | C38 | 121.3° | 119.8° |
| C37 | C39 | H28 | 119.8° | 119.7° |
| C36 | C37 | C38 | 118.2° | 119.8° |
| C37 | C36 | H24 | 120.4° | 120.1° |
| C37 | C38 | H25 | 109.5° | 109.4° |
| C37 | C38 | H26 | 109.5° | 109.4° |
| C37 | C38 | H27 | 109.4° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H10 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.4° | 109.5° |
| H22 | C31 | H23 | 109.5° | 109.4° |
| H25 | C38 | H26 | 109.4° | 109.5° |
| H25 | C38 | H27 | 109.5° | 109.5° |
| H26 | C38 | H27 | 109.5° | 109.5° |
| H33 | C46 | H34 | 109.5° | 109.5° |
| H35 | C47 | H36 | 109.5° | 109.5° |
| H38 | C50 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C55 | C03 | 179.4° | 179.7° |
| C01 | C02 | C55 | C54 | 179.8° | 179.7° |
| C01 | C02 | C03 | C04 | 179.8° | 180.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H12 | 120.0° | 120.1° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C01 | C02 | C03 | H13 | 0.2° | 0.0° |
| C01 | C02 | C55 | H40 | 0.2° | 0.0° |
| C02 | C55 | C54 | H40 | 180.0° | 179.7° |
| C55 | C02 | C03 | C04 | 0.4° | 0.3° |
| C02 | C55 | C54 | C49 | 179.6° | 179.9° |
| C02 | C55 | C54 | C05 | 0.2° | 0.6° |
| C55 | C02 | C01 | H10 | 89.7° | 90.0° |
| C55 | C02 | C01 | H11 | 150.3° | 150.0° |
| C55 | C02 | C01 | H12 | 30.3° | 30.0° |
| C55 | C02 | C03 | H13 | 179.6° | 179.7° |
| C03 | C02 | C55 | C54 | 0.4° | 0.6° |
| C02 | C03 | C04 | H13 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | C02 | C01 | H10 | 89.7° | 89.7° |
| C03 | C02 | C01 | H11 | 30.3° | 30.3° |
| C03 | C02 | C01 | H12 | 150.3° | 150.3° |
| C02 | C03 | C04 | H14 | 179.8° | 180.0° |
| C03 | C02 | C55 | H40 | 179.6° | 179.7° |
| C55 | C54 | C49 | C50 | 1.0° | 0.5° |
| C55 | C54 | C49 | C05 | 179.9° | 179.6° |
| C55 | C54 | C49 | C07 | 179.9° | 179.6° |
| C55 | C54 | C05 | C04 | 0.1° | 0.3° |
| C55 | C54 | C05 | O06 | 179.9° | 179.7° |
| O52 | C51 | C50 | O53 | 178.7° | 180.0° |
| O52 | C51 | C50 | C49 | 121.7° | 0.0° |
| O52 | C51 | C50 | H38 | 118.1° | 120.0° |
| O52 | C51 | C50 | H39 | 1.6° | 120.0° |
| O52 | C51 | O53 | H46 | 0.0° | 0.1° |
| C03 | C04 | C05 | C54 | 0.2° | 0.0° |
| C03 | C04 | C05 | H14 | 180.0° | 179.9° |
| C03 | C04 | C05 | O06 | 179.9° | 180.0° |
| C51 | C50 | C49 | H38 | 120.2° | 119.9° |
| C51 | C50 | C49 | H39 | 120.2° | 120.0° |
| C51 | C50 | C49 | C54 | 73.5° | 90.1° |
| C51 | C50 | C49 | C07 | 105.1° | 90.1° |
| C51 | C50 | H38 | H39 | 119.5° | 120.0° |
| C50 | C51 | O53 | H46 | 178.7° | 180.0° |
| C50 | C49 | C54 | C07 | 178.9° | 179.9° |
| C50 | C49 | C54 | C05 | 179.1° | 179.9° |
| C49 | C50 | C51 | O53 | 56.9° | 180.0° |
| C50 | C49 | C07 | O06 | 179.2° | 179.9° |
| C50 | C49 | C07 | C08 | 0.9° | 0.1° |
| C49 | C50 | H38 | H39 | 119.4° | 120.1° |
| C49 | C54 | C05 | C04 | 179.7° | 179.9° |
| C49 | C54 | C05 | O06 | 0.0° | 0.0° |
| C54 | C49 | C07 | O06 | 0.3° | 0.0° |
| C54 | C49 | C07 | C08 | 179.8° | 180.0° |
| C54 | C49 | C50 | H38 | 166.3° | 29.9° |
| C54 | C49 | C50 | H39 | 46.6° | 150.0° |
| C49 | C54 | C55 | H40 | 0.4° | 0.2° |
| C05 | C54 | C49 | C07 | 0.2° | 0.0° |
| C54 | C05 | C04 | O06 | 179.7° | 180.0° |
| C54 | C05 | O06 | C07 | 0.2° | 0.0° |
| C54 | C05 | C04 | H14 | 179.9° | 180.0° |
| C05 | C54 | C55 | H40 | 179.7° | 179.7° |
| O53 | C51 | C50 | H38 | 63.2° | 60.0° |
| O53 | C51 | C50 | H39 | 177.1° | 60.0° |
| C49 | C07 | O06 | C05 | 0.3° | 0.0° |
| C49 | C07 | O06 | C08 | 179.9° | 179.9° |
| C49 | C07 | C08 | C09 | 171.2° | 85.0° |
| C07 | C49 | C50 | H38 | 15.1° | 150.0° |
| C07 | C49 | C50 | H39 | 134.8° | 29.9° |
| C04 | C05 | O06 | C07 | 179.9° | 179.9° |
| C05 | C04 | C03 | H13 | 179.7° | 180.0° |
| C05 | O06 | C07 | C08 | 179.8° | 179.9° |
| O06 | C05 | C04 | H14 | 0.1° | 0.1° |
| O06 | C07 | C08 | C09 | 8.9° | 95.1° |
| C07 | C08 | C09 | C10 | 8.7° | 85.9° |
| C08 | C09 | C10 | C11 | 171.1° | 1.0° |
| C08 | C09 | C10 | C48 | 9.2° | 179.3° |
| C09 | C10 | C11 | C48 | 179.7° | 179.7° |
| C09 | C10 | C11 | C12 | 179.8° | 179.8° |
| C09 | C10 | C48 | C14 | 179.4° | 179.7° |
| C09 | C10 | C11 | H15 | 0.3° | 0.4° |
| C09 | C10 | C48 | H37 | 0.6° | 0.2° |
| C10 | C11 | C12 | H15 | 180.0° | 179.9° |
| C11 | C10 | C48 | C14 | 0.3° | 0.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | H16 | 180.0° | 180.0° |
| C11 | C10 | C48 | H37 | 179.7° | 179.9° |
| C48 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C48 | C14 | H37 | 180.0° | 179.9° |
| C10 | C48 | C14 | C13 | 0.8° | 0.0° |
| C10 | C48 | C14 | C15 | 179.8° | 180.0° |
| C48 | C10 | C11 | H15 | 179.9° | 179.9° |
| C11 | C12 | C13 | H16 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.4° | 0.1° |
| C11 | C12 | C13 | H1 | 179.6° | 180.0° |
| C48 | C14 | C13 | C12 | 0.8° | 0.0° |
| C48 | C14 | C13 | C15 | 179.0° | 180.0° |
| C48 | C14 | C15 | N16 | 176.2° | 90.0° |
| C48 | C14 | C13 | H1 | 179.2° | 180.0° |
| C48 | C14 | C15 | H2 | 55.8° | 30.0° |
| C48 | C14 | C15 | H3 | 63.3° | 150.0° |
| C12 | C13 | C14 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 179.8° | 180.0° |
| C13 | C12 | C11 | H15 | 180.0° | 179.9° |
| C13 | C14 | C15 | N16 | 4.8° | 90.0° |
| C13 | C14 | C15 | H2 | 125.2° | 150.1° |
| C13 | C14 | C15 | H3 | 115.7° | 30.1° |
| C14 | C13 | C12 | H16 | 179.6° | 180.0° |
| C13 | C14 | C48 | H37 | 179.2° | 179.9° |
| C14 | C15 | N16 | H2 | 120.5° | 120.0° |
| C14 | C15 | N16 | H3 | 120.4° | 120.0° |
| C14 | C15 | N16 | C17 | 121.8° | 170.0° |
| C14 | C15 | N16 | C47 | 114.2° | 66.2° |
| C15 | C14 | C13 | H1 | 0.2° | 0.0° |
| C14 | C15 | H2 | H3 | 118.5° | 120.0° |
| C15 | C14 | C48 | H37 | 0.2° | 0.0° |
| C15 | N16 | C17 | C47 | 116.5° | 123.9° |
| C15 | N16 | C17 | C18 | 145.3° | 176.8° |
| C15 | N16 | C47 | C46 | 146.5° | 176.8° |
| N16 | C15 | H2 | H3 | 118.6° | 120.0° |
| C15 | N16 | C17 | H4 | 93.7° | 63.3° |
| C15 | N16 | C17 | H5 | 24.2° | 56.8° |
| C15 | N16 | C47 | H35 | 25.5° | 56.8° |
| C15 | N16 | C47 | H36 | 92.6° | 63.2° |
| N16 | C17 | C18 | H4 | 121.0° | 119.9° |
| N16 | C17 | C18 | H5 | 121.1° | 120.1° |
| C17 | N16 | C47 | C46 | 29.3° | 59.3° |
| N16 | C17 | C18 | N19 | 43.2° | 58.3° |
| C17 | N16 | C15 | H2 | 1.4° | 50.0° |
| C17 | N16 | C15 | H3 | 117.7° | 70.0° |
| N16 | C17 | H4 | H5 | 116.6° | 120.1° |
| N16 | C17 | C18 | H17 | 77.1° | 61.6° |
| N16 | C17 | C18 | H18 | 163.5° | 178.4° |
| C17 | N16 | C47 | H35 | 91.6° | 179.3° |
| C17 | N16 | C47 | H36 | 150.3° | 60.7° |
| C47 | N16 | C17 | C18 | 28.8° | 59.3° |
| N16 | C47 | C46 | H35 | 120.9° | 120.0° |
| N16 | C47 | C46 | H36 | 120.9° | 120.0° |
| N16 | C47 | C46 | N19 | 44.8° | 58.4° |
| C47 | N16 | C15 | H2 | 125.4° | 173.8° |
| C47 | N16 | C15 | H3 | 6.3° | 53.8° |
| C47 | N16 | C17 | H4 | 149.9° | 60.6° |
| C47 | N16 | C17 | H5 | 92.3° | 179.3° |
| N16 | C47 | C46 | H33 | 165.3° | 178.3° |
| N16 | C47 | C46 | H34 | 75.6° | 61.5° |
| N16 | C47 | H35 | H36 | 117.1° | 120.1° |
| C17 | C18 | N19 | H17 | 120.4° | 119.9° |
| C17 | C18 | N19 | H18 | 120.3° | 120.0° |
| C17 | C18 | N19 | C46 | 58.1° | 59.3° |
| C17 | C18 | N19 | C20 | 177.8° | 176.8° |
| C18 | C17 | H4 | H5 | 116.7° | 120.0° |
| C17 | C18 | H17 | H18 | 119.0° | 120.0° |
| C47 | C46 | N19 | C18 | 59.4° | 59.3° |
| C47 | C46 | N19 | H33 | 120.4° | 120.0° |
| C47 | C46 | N19 | H34 | 120.5° | 119.9° |
| C47 | C46 | N19 | C20 | 179.9° | 176.8° |
| C47 | C46 | H33 | H34 | 118.7° | 120.1° |
| C46 | C47 | H35 | H36 | 117.1° | 120.0° |
| C18 | N19 | C46 | C20 | 120.8° | 123.9° |
| C18 | N19 | C20 | C21 | 156.1° | 170.0° |
| N19 | C18 | C17 | H4 | 164.3° | 61.6° |
| N19 | C18 | C17 | H5 | 77.9° | 178.4° |
| C18 | N19 | C20 | H6 | 36.3° | 50.0° |
| C18 | N19 | C20 | H7 | 84.2° | 70.0° |
| N19 | C18 | H17 | H18 | 118.9° | 120.1° |
| C18 | N19 | C46 | H33 | 179.8° | 179.3° |
| C18 | N19 | C46 | H34 | 61.1° | 60.7° |
| C46 | N19 | C20 | C21 | 35.2° | 66.2° |
| C46 | N19 | C20 | H6 | 84.6° | 173.8° |
| C46 | N19 | C20 | H7 | 154.9° | 53.8° |
| C46 | N19 | C18 | H17 | 62.3° | 60.6° |
| C46 | N19 | C18 | H18 | 178.4° | 179.3° |
| N19 | C46 | H33 | H34 | 118.7° | 120.0° |
| N19 | C46 | C47 | H35 | 76.1° | 178.3° |
| N19 | C46 | C47 | H36 | 165.8° | 61.6° |
| N19 | C20 | C21 | H6 | 119.7° | 120.0° |
| N19 | C20 | C21 | H7 | 119.7° | 120.0° |
| N19 | C20 | C21 | N22 | 135.6° | 180.0° |
| N19 | C20 | H6 | H7 | 120.8° | 120.0° |
| N19 | C20 | C21 | H8 | 104.3° | 60.0° |
| N19 | C20 | C21 | H9 | 15.6° | 60.0° |
| C20 | N19 | C18 | H17 | 57.4° | 63.3° |
| C20 | N19 | C18 | H18 | 61.9° | 56.8° |
| C20 | N19 | C46 | H33 | 59.4° | 56.8° |
| C20 | N19 | C46 | H34 | 59.7° | 63.2° |
| C20 | C21 | N22 | H8 | 120.0° | 120.0° |
| C20 | C21 | N22 | H9 | 120.1° | 119.9° |
| C20 | C21 | N22 | C23 | 64.2° | 180.0° |
| C21 | C20 | H6 | H7 | 120.8° | 120.0° |
| C20 | C21 | H8 | H9 | 119.8° | 120.0° |
| C20 | C21 | N22 | H43 | 176.2° | 56.1° |
| C21 | N22 | C23 | H43 | 119.6° | 123.9° |
| C21 | N22 | C23 | C24 | 172.7° | 180.0° |
| N22 | C21 | C20 | H6 | 15.9° | 60.0° |
| N22 | C21 | C20 | H7 | 104.6° | 60.0° |
| N22 | C21 | H8 | H9 | 119.8° | 120.1° |
| C21 | N22 | C23 | H19 | 67.1° | 60.0° |
| C21 | N22 | C23 | H20 | 52.6° | 60.1° |
| N22 | C23 | C24 | H19 | 120.2° | 120.1° |
| N22 | C23 | C24 | H20 | 120.2° | 119.9° |
| N22 | C23 | C24 | C45 | 34.0° | 90.3° |
| N22 | C23 | C24 | C25 | 146.5° | 89.9° |
| C23 | N22 | C21 | H8 | 55.8° | 60.1° |
| C23 | N22 | C21 | H9 | 175.7° | 60.0° |
| N22 | C23 | H19 | H20 | 119.6° | 120.0° |
| C23 | C24 | C45 | C25 | 179.5° | 179.8° |
| C23 | C24 | C45 | C44 | 179.7° | 179.7° |
| C23 | C24 | C25 | C26 | 179.7° | 180.0° |
| C24 | C23 | H19 | H20 | 119.6° | 120.0° |
| C23 | C24 | C25 | H21 | 0.3° | 0.0° |
| C23 | C24 | C45 | H32 | 0.3° | 0.2° |
| C24 | C23 | N22 | H43 | 53.1° | 56.1° |
| C24 | C45 | C44 | H32 | 180.0° | 179.9° |
| C24 | C45 | C44 | C43 | 0.1° | 0.6° |
| C45 | C24 | C25 | C26 | 0.2° | 0.2° |
| C45 | C24 | C23 | H19 | 86.1° | 29.8° |
| C45 | C24 | C23 | H20 | 154.2° | 149.8° |
| C45 | C24 | C25 | H21 | 179.8° | 179.8° |
| C24 | C45 | C44 | H31 | 179.9° | 179.8° |
| C44 | C45 | C24 | C25 | 0.3° | 0.1° |
| C45 | C44 | C43 | H31 | 180.0° | 179.1° |
| C45 | C44 | C43 | C26 | 0.1° | 0.8° |
| C45 | C44 | C43 | H30 | 179.9° | 179.2° |
| C24 | C25 | C26 | H21 | 180.0° | 180.0° |
| C24 | C25 | C26 | C43 | 0.0° | 0.0° |
| C24 | C25 | C26 | C27 | 179.7° | 179.5° |
| C25 | C24 | C23 | H19 | 93.3° | 150.0° |
| C25 | C24 | C23 | H20 | 26.3° | 30.0° |
| C25 | C24 | C45 | H32 | 179.8° | 180.0° |
| C44 | C43 | C26 | C25 | 0.2° | 0.5° |
| C44 | C43 | C26 | H30 | 180.0° | 180.0° |
| C44 | C43 | C26 | C27 | 179.8° | 180.0° |
| C43 | C44 | C45 | H32 | 179.9° | 179.5° |
| C25 | C26 | C43 | C27 | 179.6° | 179.5° |
| C25 | C26 | C27 | C28 | 5.8° | 118.9° |
| C25 | C26 | C43 | H30 | 179.8° | 179.5° |
| C43 | C26 | C27 | C28 | 174.5° | 60.6° |
| C43 | C26 | C25 | H21 | 180.0° | 180.0° |
| C26 | C43 | C44 | H31 | 179.9° | 180.0° |
| C26 | C27 | C28 | C29 | 9.0° | 149.2° |
| C27 | C26 | C25 | H21 | 0.3° | 0.5° |
| C27 | C26 | C43 | H30 | 0.2° | 0.0° |
| C27 | C28 | C29 | O42 | 13.1° | 88.4° |
| C27 | C28 | C29 | C30 | 167.6° | 91.4° |
| C28 | C29 | O42 | C30 | 179.5° | 179.7° |
| C28 | C29 | O42 | C41 | 179.8° | 179.8° |
| C28 | C29 | C30 | C31 | 1.5° | 0.0° |
| C28 | C29 | C30 | C35 | 180.0° | 179.9° |
| C29 | O42 | C41 | C40 | 180.0° | 180.0° |
| C29 | O42 | C41 | C35 | 0.0° | 0.5° |
| O42 | C29 | C30 | C31 | 179.0° | 179.7° |
| O42 | C29 | C30 | C35 | 0.5° | 0.3° |
| C41 | O42 | C29 | C30 | 0.3° | 0.5° |
| O42 | C41 | C40 | C35 | 179.9° | 179.5° |
| O42 | C41 | C40 | C39 | 179.6° | 179.6° |
| O42 | C41 | C35 | C30 | 0.3° | 0.3° |
| O42 | C41 | C35 | C36 | 179.8° | 179.7° |
| O42 | C41 | C40 | H29 | 0.3° | 0.5° |
| C29 | C30 | C35 | C41 | 0.5° | 0.0° |
| C29 | C30 | C31 | C35 | 178.2° | 179.9° |
| C29 | C30 | C31 | C32 | 103.1° | 90.0° |
| C29 | C30 | C35 | C36 | 179.7° | 179.9° |
| C29 | C30 | C31 | H22 | 136.7° | 150.0° |
| C29 | C30 | C31 | H23 | 17.1° | 30.0° |
| O33 | C32 | C31 | C30 | 60.4° | 0.0° |
| O33 | C32 | C31 | O34 | 179.3° | 179.9° |
| O33 | C32 | C31 | H22 | 179.5° | 120.0° |
| O33 | C32 | C31 | H23 | 59.8° | 120.1° |
| O33 | C32 | O34 | H45 | 0.0° | 0.1° |
| C41 | C40 | C39 | H29 | 180.0° | 179.9° |
| C40 | C41 | C35 | C30 | 179.7° | 179.9° |
| C40 | C41 | C35 | C36 | 0.2° | 0.0° |
| C41 | C40 | C39 | C37 | 0.4° | 0.1° |
| C41 | C40 | C39 | H28 | 179.6° | 180.0° |
| C35 | C41 | C40 | C39 | 0.4° | 0.1° |
| C41 | C35 | C30 | C31 | 179.0° | 180.0° |
| C41 | C35 | C30 | C36 | 179.8° | 179.9° |
| C41 | C35 | C36 | C37 | 0.1° | 0.0° |
| C41 | C35 | C36 | H24 | 179.9° | 180.0° |
| C35 | C41 | C40 | H29 | 179.6° | 180.0° |
| C40 | C39 | C37 | H28 | 180.0° | 179.9° |
| C40 | C39 | C37 | C36 | 0.1° | 0.1° |
| C40 | C39 | C37 | C38 | 179.7° | 180.0° |
| C30 | C31 | C32 | H22 | 120.1° | 120.0° |
| C30 | C31 | C32 | H23 | 120.2° | 120.0° |
| C30 | C31 | C32 | O34 | 118.9° | 179.9° |
| C31 | C30 | C35 | C36 | 1.2° | 0.1° |
| C30 | C31 | H22 | H23 | 119.5° | 120.0° |
| C35 | C30 | C31 | C32 | 75.1° | 90.1° |
| C30 | C35 | C36 | C37 | 179.9° | 179.9° |
| C35 | C30 | C31 | H22 | 45.1° | 29.9° |
| C35 | C30 | C31 | H23 | 164.8° | 149.9° |
| C30 | C35 | C36 | H24 | 0.1° | 0.1° |
| C32 | C31 | H22 | H23 | 119.5° | 120.0° |
| C31 | C32 | O34 | H45 | 179.3° | 180.0° |
| O34 | C32 | C31 | H22 | 1.2° | 59.9° |
| O34 | C32 | C31 | H23 | 120.9° | 60.0° |
| C35 | C36 | C37 | C39 | 0.1° | 0.0° |
| C35 | C36 | C37 | H24 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 179.9° | 180.0° |
| C39 | C37 | C36 | C38 | 179.8° | 180.0° |
| C39 | C37 | C36 | H24 | 179.9° | 180.0° |
| C39 | C37 | C38 | H25 | 89.9° | 90.0° |
| C39 | C37 | C38 | H26 | 150.1° | 30.0° |
| C39 | C37 | C38 | H27 | 30.1° | 150.0° |
| C37 | C39 | C40 | H29 | 179.6° | 180.0° |
| C36 | C37 | C38 | H25 | 89.9° | 90.1° |
| C36 | C37 | C38 | H26 | 30.1° | 150.0° |
| C36 | C37 | C38 | H27 | 150.1° | 30.0° |
| C36 | C37 | C39 | H28 | 179.9° | 180.0° |
| C38 | C37 | C36 | H24 | 0.0° | 0.0° |
| C37 | C38 | H25 | H26 | 120.0° | 119.9° |
| C37 | C38 | H25 | H27 | 120.0° | 120.0° |
| C37 | C38 | H26 | H27 | 120.0° | 120.0° |
| C38 | C37 | C39 | H28 | 0.3° | 0.0° |
| H1 | C13 | C12 | H16 | 0.4° | 0.1° |
| H4 | C17 | C18 | H17 | 43.9° | 178.5° |
| H4 | C17 | C18 | H18 | 75.4° | 58.4° |
| H5 | C17 | C18 | H17 | 161.8° | 58.5° |
| H5 | C17 | C18 | H18 | 42.5° | 61.6° |
| H6 | C20 | C21 | H8 | 135.9° | 60.0° |
| H6 | C20 | C21 | H9 | 104.2° | 180.0° |
| H7 | C20 | C21 | H8 | 15.4° | 180.0° |
| H7 | C20 | C21 | H9 | 135.3° | 59.9° |
| H8 | C21 | N22 | H43 | 63.8° | 176.0° |
| H9 | C21 | N22 | H43 | 56.1° | 63.9° |
| H10 | C01 | H11 | H12 | 120.0° | 120.0° |
| H13 | C03 | C04 | H14 | 0.3° | 0.1° |
| H15 | C11 | C12 | H16 | 0.0° | 0.1° |
| H19 | C23 | N22 | H43 | 173.3° | 63.9° |
| H20 | C23 | N22 | H43 | 67.0° | 176.0° |
| H25 | C38 | H26 | H27 | 120.0° | 120.1° |
| H28 | C39 | C40 | H29 | 0.3° | 0.1° |
| H30 | C43 | C44 | H31 | 0.1° | 0.0° |
| H31 | C44 | C45 | H32 | 0.1° | 0.3° |
| H33 | C46 | C47 | H35 | 44.3° | 61.7° |
| H33 | C46 | C47 | H36 | 73.8° | 58.4° |
| H34 | C46 | C47 | H35 | 163.5° | 58.4° |
| H34 | C46 | C47 | H36 | 45.3° | 178.5° |
