9ZK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O47 | C36 | doub | 1.22Å | 1.15Å | |
| C40 | C41 | doub | 1.38Å | 1.35Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.35Å | Aromatic |
| O05 | C04 | doub | 1.21Å | 1.16Å | |
| C38 | C46 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.51Å | 1.51Å | |
| C38 | N37 | sing | 1.47Å | 1.44Å | |
| N21 | C20 | sing | 1.47Å | 1.46Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C02 | O03 | sing | 1.45Å | 1.43Å | |
| C02 | C06 | sing | 1.53Å | 1.52Å | |
| C46 | C04 | sing | 1.51Å | 1.49Å | |
| C04 | O03 | sing | 1.34Å | 1.39Å | |
| C26 | C25 | sing | 1.52Å | 1.50Å | |
| C26 | C27 | sing | 1.51Å | 1.47Å | |
| C41 | C42 | sing | 1.39Å | 1.36Å | Aromatic |
| C24 | N23 | sing | 1.47Å | 1.43Å | |
| C17 | C16 | sing | 1.53Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | C22 | sing | 1.50Å | 1.53Å | |
| C16 | N15 | sing | 1.48Å | 1.45Å | |
| C36 | N37 | sing | 1.34Å | 1.40Å | |
| C36 | C25 | sing | 1.50Å | 1.44Å | |
| C39 | C45 | doub | 1.38Å | 1.34Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.51Å | |
| N23 | C22 | sing | 1.36Å | 1.42Å | |
| N23 | C25 | sing | 1.48Å | 1.43Å | |
| C22 | O48 | doub | 1.22Å | 1.17Å | |
| C07 | C06 | sing | 1.53Å | 1.50Å | |
| C07 | C08 | sing | 1.51Å | 1.51Å | |
| C28 | C27 | doub | 1.34Å | 1.35Å | Aromatic |
| C28 | N29 | sing | 1.37Å | 1.31Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C27 | C31 | sing | 1.47Å | 1.35Å | Aromatic |
| N15 | C14 | sing | 1.36Å | 1.43Å | |
| C42 | O43 | sing | 1.36Å | 1.40Å | |
| C42 | C44 | doub | 1.39Å | 1.38Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.36Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| N29 | C30 | sing | 1.38Å | 1.35Å | Aromatic |
| C09 | C08 | doub | 1.31Å | 1.30Å | |
| C09 | C11 | sing | 1.50Å | 1.51Å | |
| C14 | O49 | doub | 1.21Å | 1.17Å | |
| C14 | C12 | sing | 1.51Å | 1.51Å | |
| C31 | C30 | doub | 1.41Å | 1.33Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.49Å | |
| C30 | C35 | sing | 1.39Å | 1.37Å | Aromatic |
| C32 | C33 | doub | 1.37Å | 1.35Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.49Å | |
| C35 | C34 | doub | 1.38Å | 1.34Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.35Å | Aromatic |
| C40 | H1 | sing | 1.08Å | 1.08Å | |
| C41 | H2 | sing | 1.08Å | 1.08Å | |
| C35 | H3 | sing | 1.08Å | 1.08Å | |
| C34 | H4 | sing | 1.08Å | 1.08Å | |
| C33 | H5 | sing | 1.08Å | 1.08Å | |
| C32 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C38 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.10Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.10Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.10Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C10 | H31 | sing | 1.09Å | 1.10Å | |
| C10 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.08Å | 1.08Å | |
| N15 | H34 | sing | 0.98Å | 1.00Å | |
| C08 | H35 | sing | 1.08Å | 1.08Å | |
| C07 | H36 | sing | 1.09Å | 1.10Å | |
| C07 | H37 | sing | 1.09Å | 1.10Å | |
| C06 | H38 | sing | 1.09Å | 1.10Å | |
| C06 | H39 | sing | 1.09Å | 1.10Å | |
| C02 | H40 | sing | 1.09Å | 1.10Å | |
| C01 | H41 | sing | 1.09Å | 1.10Å | |
| C01 | H42 | sing | 1.09Å | 1.10Å | |
| C01 | H43 | sing | 1.09Å | 1.10Å | |
| C46 | H44 | sing | 1.09Å | 1.10Å | |
| C46 | H45 | sing | 1.09Å | 1.10Å | |
| N37 | H46 | sing | 0.97Å | 1.00Å | |
| N29 | H47 | sing | 0.97Å | 1.00Å | |
| C45 | H48 | sing | 1.08Å | 1.08Å | |
| O43 | H49 | sing | 0.97Å | 0.95Å | |
| N21 | H50 | sing | 1.01Å | 1.00Å | |
| N21 | H51 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O47 | C36 | N37 | 118.6° | 119.1° |
| O47 | C36 | C25 | 121.0° | 118.5° |
| C41 | C40 | C39 | 121.6° | 120.1° |
| C40 | C41 | C42 | 119.4° | 119.9° |
| C41 | C40 | H1 | 119.2° | 119.9° |
| C40 | C41 | H2 | 120.3° | 120.0° |
| C40 | C39 | C38 | 117.3° | 119.9° |
| C40 | C39 | C45 | 120.2° | 120.1° |
| C39 | C40 | H1 | 119.2° | 120.0° |
| O05 | C04 | C46 | 119.4° | 119.9° |
| O05 | C04 | O03 | 119.9° | 120.1° |
| C46 | C38 | C39 | 112.1° | 109.4° |
| C46 | C38 | N37 | 108.6° | 109.8° |
| C38 | C46 | C04 | 114.7° | 109.9° |
| C46 | C38 | H8 | 107.5° | 109.3° |
| C38 | C46 | H44 | 108.2° | 109.7° |
| C38 | C46 | H45 | 108.1° | 109.3° |
| C39 | C38 | N37 | 112.0° | 109.4° |
| C38 | C39 | C45 | 122.5° | 119.9° |
| C39 | C38 | H8 | 107.8° | 109.3° |
| C38 | N37 | C36 | 109.0° | 120.2° |
| N37 | C38 | H8 | 108.7° | 109.6° |
| C38 | N37 | H46 | 125.5° | 118.6° |
| N21 | C20 | C19 | 113.5° | 109.5° |
| N21 | C20 | H15 | 108.5° | 109.5° |
| N21 | C20 | H16 | 108.4° | 109.5° |
| C20 | N21 | H50 | 109.5° | 111.0° |
| C20 | N21 | H51 | 109.4° | 111.0° |
| C01 | C02 | O03 | 110.7° | 109.2° |
| C01 | C02 | C06 | 107.9° | 109.8° |
| C01 | C02 | H40 | 108.1° | 109.2° |
| C02 | C01 | H41 | 109.5° | 109.4° |
| C02 | C01 | H42 | 109.5° | 109.5° |
| C02 | C01 | H43 | 109.5° | 109.5° |
| O03 | C02 | C06 | 112.1° | 109.9° |
| C02 | O03 | C04 | 116.9° | 118.0° |
| O03 | C02 | H40 | 109.6° | 109.5° |
| C02 | C06 | C07 | 111.4° | 109.7° |
| C02 | C06 | H38 | 109.0° | 109.2° |
| C02 | C06 | H39 | 109.0° | 109.8° |
| C06 | C02 | H40 | 108.3° | 109.2° |
| C46 | C04 | O03 | 120.6° | 120.0° |
| C04 | C46 | H44 | 108.1° | 109.6° |
| C04 | C46 | H45 | 108.2° | 109.0° |
| C25 | C26 | C27 | 111.5° | 109.4° |
| C26 | C25 | C36 | 104.5° | 112.2° |
| C26 | C25 | N23 | 111.4° | 110.9° |
| C25 | C26 | H9 | 109.0° | 109.4° |
| C25 | C26 | H10 | 109.0° | 109.5° |
| C26 | C25 | H11 | 111.2° | 107.8° |
| C26 | C27 | C28 | 128.1° | 126.5° |
| C26 | C27 | C31 | 122.8° | 126.5° |
| C27 | C26 | H9 | 108.9° | 109.5° |
| C27 | C26 | H10 | 108.9° | 109.5° |
| C41 | C42 | O43 | 119.9° | 120.0° |
| C41 | C42 | C44 | 118.4° | 119.9° |
| C42 | C41 | H2 | 120.3° | 120.1° |
| C24 | N23 | C22 | 115.9° | 122.3° |
| C24 | N23 | C25 | 123.4° | 119.3° |
| N23 | C24 | H12 | 109.5° | 109.5° |
| N23 | C24 | H13 | 109.5° | 109.5° |
| N23 | C24 | H14 | 109.5° | 109.5° |
| C16 | C17 | C18 | 105.8° | 109.4° |
| C17 | C16 | C22 | 103.1° | 110.4° |
| C17 | C16 | N15 | 107.4° | 110.5° |
| C16 | C17 | H21 | 110.4° | 109.4° |
| C16 | C17 | H22 | 110.4° | 109.4° |
| C17 | C16 | H23 | 108.4° | 108.2° |
| C17 | C18 | C19 | 111.3° | 109.4° |
| C17 | C18 | H19 | 109.0° | 109.5° |
| C17 | C18 | H20 | 109.0° | 109.5° |
| C18 | C17 | H21 | 110.4° | 109.5° |
| C18 | C17 | H22 | 110.4° | 109.5° |
| C22 | C16 | N15 | 120.6° | 109.8° |
| C16 | C22 | N23 | 123.6° | 120.6° |
| C16 | C22 | O48 | 119.4° | 119.0° |
| C22 | C16 | H23 | 107.9° | 110.2° |
| C16 | N15 | C14 | 125.4° | 118.3° |
| N15 | C16 | H23 | 108.9° | 107.8° |
| C16 | N15 | H34 | 117.3° | 120.6° |
| N37 | C36 | C25 | 120.4° | 122.3° |
| C36 | N37 | H46 | 125.5° | 121.2° |
| C36 | C25 | N23 | 104.8° | 110.5° |
| C36 | C25 | H11 | 112.1° | 107.9° |
| C39 | C45 | C44 | 119.4° | 120.0° |
| C39 | C45 | H48 | 120.3° | 120.0° |
| C10 | C09 | C08 | 117.2° | 120.1° |
| C10 | C09 | C11 | 118.7° | 120.0° |
| C09 | C10 | H30 | 109.5° | 109.4° |
| C09 | C10 | H31 | 109.5° | 109.5° |
| C09 | C10 | H32 | 109.5° | 109.5° |
| C22 | N23 | C25 | 120.7° | 118.4° |
| N23 | C22 | O48 | 117.0° | 120.3° |
| N23 | C25 | H11 | 112.3° | 107.3° |
| C06 | C07 | C08 | 112.7° | 109.5° |
| C06 | C07 | H36 | 108.6° | 108.9° |
| C06 | C07 | H37 | 108.6° | 109.6° |
| C07 | C06 | H38 | 109.0° | 109.4° |
| C07 | C06 | H39 | 109.0° | 109.3° |
| C07 | C08 | C09 | 122.3° | 120.8° |
| C07 | C08 | H35 | 118.8° | 119.7° |
| C08 | C07 | H36 | 108.7° | 109.1° |
| C08 | C07 | H37 | 108.7° | 110.0° |
| C27 | C28 | N29 | 107.0° | 110.0° |
| C28 | C27 | C31 | 109.1° | 106.9° |
| C27 | C28 | H7 | 126.5° | 125.0° |
| C28 | N29 | C30 | 108.8° | 109.9° |
| N29 | C28 | H7 | 126.5° | 125.1° |
| C28 | N29 | H47 | 125.6° | 125.1° |
| C20 | C19 | C18 | 112.0° | 109.5° |
| C19 | C20 | H15 | 108.5° | 109.4° |
| C19 | C20 | H16 | 108.5° | 109.5° |
| C20 | C19 | H17 | 108.9° | 109.4° |
| C20 | C19 | H18 | 108.8° | 109.4° |
| C27 | C31 | C30 | 106.3° | 106.1° |
| C27 | C31 | C32 | 132.6° | 134.0° |
| N15 | C14 | O49 | 123.1° | 123.0° |
| N15 | C14 | C12 | 116.7° | 118.2° |
| C14 | N15 | H34 | 117.3° | 121.0° |
| O43 | C42 | C44 | 121.7° | 120.1° |
| C42 | O43 | H49 | 109.5° | 114.0° |
| C42 | C44 | C45 | 121.0° | 120.0° |
| C42 | C44 | H33 | 119.5° | 120.0° |
| C45 | C44 | H33 | 119.5° | 120.0° |
| C44 | C45 | H48 | 120.3° | 120.0° |
| C18 | C19 | H17 | 108.8° | 109.5° |
| C18 | C19 | H18 | 108.8° | 109.5° |
| C19 | C18 | H19 | 109.0° | 109.5° |
| C19 | C18 | H20 | 109.0° | 109.5° |
| N29 | C30 | C31 | 108.7° | 107.1° |
| N29 | C30 | C35 | 131.6° | 133.5° |
| C30 | N29 | H47 | 125.6° | 125.0° |
| C08 | C09 | C11 | 124.2° | 119.9° |
| C09 | C08 | H35 | 118.8° | 119.5° |
| C09 | C11 | C12 | 111.2° | 112.2° |
| C09 | C11 | H28 | 109.0° | 108.7° |
| C09 | C11 | H29 | 109.0° | 109.2° |
| O49 | C14 | C12 | 120.2° | 118.8° |
| C14 | C12 | C13 | 108.0° | 109.4° |
| C14 | C12 | C11 | 110.0° | 109.1° |
| C14 | C12 | H27 | 109.5° | 108.7° |
| C30 | C31 | C32 | 121.0° | 119.9° |
| C31 | C30 | C35 | 119.7° | 119.4° |
| C31 | C32 | C33 | 119.0° | 119.7° |
| C31 | C32 | H6 | 120.5° | 120.1° |
| C13 | C12 | C11 | 110.0° | 111.5° |
| C12 | C13 | H24 | 109.5° | 109.5° |
| C12 | C13 | H25 | 109.5° | 109.5° |
| C12 | C13 | H26 | 109.5° | 109.5° |
| C13 | C12 | H27 | 109.6° | 108.7° |
| C30 | C35 | C34 | 120.1° | 119.8° |
| C30 | C35 | H3 | 119.9° | 120.2° |
| C32 | C33 | C34 | 120.5° | 120.6° |
| C32 | C33 | H5 | 119.7° | 119.7° |
| C33 | C32 | H6 | 120.5° | 120.2° |
| C11 | C12 | H27 | 109.7° | 109.3° |
| C12 | C11 | H28 | 109.0° | 108.9° |
| C12 | C11 | H29 | 109.1° | 109.4° |
| C35 | C34 | C33 | 119.7° | 120.7° |
| C34 | C35 | H3 | 119.9° | 120.1° |
| C35 | C34 | H4 | 120.2° | 119.7° |
| C33 | C34 | H4 | 120.2° | 119.7° |
| C34 | C33 | H5 | 119.7° | 119.8° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.5° |
| H12 | C24 | H14 | 109.4° | 109.4° |
| H13 | C24 | H14 | 109.5° | 109.4° |
| H15 | C20 | H16 | 109.5° | 109.4° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.6° |
| H21 | C17 | H22 | 109.4° | 109.5° |
| H24 | C13 | H25 | 109.5° | 109.4° |
| H24 | C13 | H26 | 109.4° | 109.4° |
| H25 | C13 | H26 | 109.4° | 109.5° |
| H28 | C11 | H29 | 109.5° | 108.5° |
| H30 | C10 | H31 | 109.4° | 109.4° |
| H30 | C10 | H32 | 109.5° | 109.5° |
| H31 | C10 | H32 | 109.5° | 109.5° |
| H36 | C07 | H37 | 109.5° | 109.7° |
| H38 | C06 | H39 | 109.5° | 109.4° |
| H41 | C01 | H42 | 109.4° | 109.5° |
| H41 | C01 | H43 | 109.5° | 109.5° |
| H42 | C01 | H43 | 109.5° | 109.5° |
| H44 | C46 | H45 | 109.5° | 109.3° |
| H50 | N21 | H51 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O47 | C36 | N37 | C38 | 0.5° | 3.3° |
| O47 | C36 | C25 | C26 | 102.7° | 150.7° |
| O47 | C36 | N37 | C25 | 179.8° | 179.5° |
| O47 | C36 | C25 | N23 | 14.6° | 84.9° |
| O47 | C36 | C25 | H11 | 136.7° | 32.0° |
| O47 | C36 | N37 | H46 | 179.6° | 176.0° |
| C41 | C40 | C39 | H1 | 180.0° | 179.7° |
| C41 | C40 | C39 | C38 | 179.9° | 180.0° |
| C40 | C41 | C42 | H2 | 180.0° | 179.9° |
| C41 | C40 | C39 | C45 | 0.0° | 0.1° |
| C40 | C41 | C42 | O43 | 179.8° | 180.0° |
| C40 | C41 | C42 | C44 | 0.1° | 0.0° |
| C40 | C39 | C38 | C46 | 150.4° | 99.9° |
| C40 | C39 | C38 | C45 | 180.0° | 179.9° |
| C40 | C39 | C38 | N37 | 87.2° | 139.8° |
| C39 | C40 | C41 | C42 | 0.1° | 0.0° |
| C40 | C39 | C45 | C44 | 0.1° | 0.0° |
| C39 | C40 | C41 | H2 | 180.0° | 180.0° |
| C40 | C39 | C38 | H8 | 32.3° | 19.8° |
| C40 | C39 | C45 | H48 | 179.9° | 180.0° |
| O05 | C04 | C46 | C38 | 9.9° | 72.3° |
| O05 | C04 | O03 | C02 | 148.2° | 1.1° |
| O05 | C04 | C46 | O03 | 179.5° | 179.4° |
| O05 | C04 | C46 | H44 | 130.7° | 48.4° |
| O05 | C04 | C46 | H45 | 110.8° | 168.0° |
| C46 | C38 | C39 | N37 | 122.4° | 120.3° |
| C46 | C38 | C39 | H8 | 118.1° | 119.7° |
| C46 | C38 | N37 | H8 | 116.7° | 120.1° |
| C38 | C46 | C04 | H44 | 120.8° | 120.7° |
| C38 | C46 | C04 | H45 | 120.7° | 119.7° |
| C38 | C46 | C04 | O03 | 170.5° | 108.3° |
| C46 | C38 | N37 | C36 | 46.2° | 162.9° |
| C46 | C38 | C39 | C45 | 29.5° | 80.0° |
| C38 | C46 | H44 | H45 | 117.6° | 119.8° |
| C46 | C38 | N37 | H46 | 133.7° | 16.4° |
| C39 | C38 | N37 | H8 | 119.0° | 119.8° |
| C39 | C38 | C46 | C04 | 23.6° | 62.7° |
| C39 | C38 | N37 | C36 | 170.6° | 77.0° |
| C38 | C39 | C45 | C44 | 179.8° | 179.9° |
| C38 | C39 | C40 | H1 | 0.1° | 0.3° |
| C39 | C38 | C46 | H44 | 97.2° | 176.6° |
| C39 | C38 | C46 | H45 | 144.3° | 56.8° |
| C39 | C38 | N37 | H46 | 9.4° | 103.7° |
| C38 | C39 | C45 | H48 | 0.2° | 0.1° |
| N37 | C38 | C46 | C04 | 147.9° | 57.3° |
| C38 | N37 | C36 | H46 | 180.0° | 179.3° |
| C38 | N37 | C36 | C25 | 179.7° | 177.2° |
| N37 | C38 | C39 | C45 | 92.9° | 40.3° |
| N37 | C38 | C46 | H44 | 27.1° | 63.3° |
| N37 | C38 | C46 | H45 | 91.4° | 176.9° |
| N21 | C20 | C19 | H15 | 120.6° | 120.0° |
| N21 | C20 | C19 | H16 | 120.6° | 120.1° |
| N21 | C20 | C19 | C18 | 103.8° | 180.0° |
| N21 | C20 | H15 | H16 | 118.2° | 120.0° |
| N21 | C20 | C19 | H17 | 16.6° | 60.0° |
| N21 | C20 | C19 | H18 | 135.8° | 60.0° |
| C20 | N21 | H50 | H51 | 120.0° | 124.0° |
| C01 | C02 | O03 | C06 | 120.6° | 120.5° |
| C01 | C02 | O03 | H40 | 119.2° | 119.6° |
| C01 | C02 | C06 | H40 | 116.8° | 119.7° |
| C01 | C02 | O03 | C04 | 166.1° | 83.6° |
| C01 | C02 | C06 | C07 | 41.7° | 82.1° |
| C01 | C02 | C06 | H38 | 78.6° | 158.0° |
| C01 | C02 | C06 | H39 | 162.0° | 38.1° |
| C02 | C01 | H41 | H42 | 120.0° | 120.0° |
| C02 | C01 | H41 | H43 | 120.0° | 120.0° |
| C02 | C01 | H42 | H43 | 120.0° | 120.0° |
| O03 | C02 | C06 | H40 | 121.0° | 120.2° |
| C02 | O03 | C04 | C46 | 31.3° | 178.3° |
| O03 | C02 | C06 | C07 | 163.9° | 157.7° |
| O03 | C02 | C06 | H38 | 43.6° | 37.9° |
| O03 | C02 | C06 | H39 | 75.8° | 82.0° |
| O03 | C02 | C01 | H41 | 180.0° | 60.0° |
| O03 | C02 | C01 | H42 | 60.0° | 180.0° |
| O03 | C02 | C01 | H43 | 60.0° | 60.0° |
| C06 | C02 | O03 | C04 | 73.4° | 155.9° |
| C02 | C06 | C07 | H38 | 120.3° | 119.7° |
| C02 | C06 | C07 | H39 | 120.3° | 120.5° |
| C02 | C06 | C07 | C08 | 156.6° | 66.8° |
| C02 | C06 | C07 | H36 | 82.9° | 174.0° |
| C02 | C06 | C07 | H37 | 36.1° | 54.0° |
| C02 | C06 | H38 | H39 | 119.1° | 120.2° |
| C06 | C02 | C01 | H41 | 57.0° | 60.5° |
| C06 | C02 | C01 | H42 | 177.0° | 59.5° |
| C06 | C02 | C01 | H43 | 63.0° | 179.5° |
| C04 | C46 | C38 | H8 | 94.7° | 177.6° |
| C04 | C46 | H44 | H45 | 117.6° | 119.4° |
| C04 | O03 | C02 | H40 | 46.8° | 36.0° |
| O03 | C04 | C46 | H44 | 49.8° | 131.0° |
| O03 | C04 | C46 | H45 | 68.7° | 11.4° |
| C25 | C26 | C27 | H9 | 120.3° | 120.0° |
| C25 | C26 | C27 | H10 | 120.3° | 120.0° |
| C26 | C25 | N23 | C24 | 131.4° | 115.6° |
| C26 | C25 | C36 | N37 | 77.1° | 28.8° |
| C26 | C25 | C36 | N23 | 117.3° | 124.4° |
| C26 | C25 | C36 | H11 | 120.6° | 118.7° |
| C26 | C25 | N23 | C22 | 47.6° | 64.0° |
| C26 | C25 | N23 | H11 | 125.5° | 117.5° |
| C25 | C26 | C27 | C28 | 130.7° | 95.1° |
| C25 | C26 | C27 | C31 | 49.5° | 84.4° |
| C25 | C26 | H9 | H10 | 119.1° | 120.0° |
| C27 | C26 | C25 | C36 | 140.9° | 173.8° |
| C27 | C26 | C25 | N23 | 106.5° | 62.1° |
| C26 | C27 | C28 | C31 | 179.8° | 179.5° |
| C26 | C27 | C28 | N29 | 179.7° | 179.9° |
| C26 | C27 | C31 | C30 | 179.4° | 179.5° |
| C26 | C27 | C31 | C32 | 0.7° | 0.2° |
| C26 | C27 | C28 | H7 | 0.3° | 0.4° |
| C27 | C26 | H9 | H10 | 119.0° | 120.1° |
| C27 | C26 | C25 | H11 | 19.7° | 55.0° |
| C41 | C42 | O43 | C44 | 179.8° | 179.9° |
| C41 | C42 | C44 | C45 | 0.0° | 0.0° |
| C42 | C41 | C40 | H1 | 179.9° | 179.7° |
| C41 | C42 | C44 | H33 | 180.0° | 180.0° |
| C41 | C42 | O43 | H49 | 180.0° | 90.0° |
| C24 | N23 | C22 | C16 | 0.9° | 15.5° |
| C24 | N23 | C25 | C36 | 18.9° | 119.3° |
| C24 | N23 | C22 | C25 | 179.1° | 179.6° |
| C24 | N23 | C22 | O48 | 179.8° | 166.2° |
| C24 | N23 | C25 | H11 | 103.0° | 1.9° |
| N23 | C24 | H12 | H13 | 120.0° | 120.0° |
| N23 | C24 | H12 | H14 | 120.0° | 120.0° |
| N23 | C24 | H13 | H14 | 120.0° | 120.1° |
| C16 | C17 | C18 | H21 | 119.4° | 119.9° |
| C16 | C17 | C18 | H22 | 119.5° | 119.9° |
| C17 | C16 | C22 | N15 | 119.6° | 122.0° |
| C17 | C16 | C22 | H23 | 114.5° | 119.5° |
| C17 | C16 | N15 | H23 | 117.2° | 118.1° |
| C17 | C16 | C22 | N23 | 171.7° | 97.4° |
| C17 | C16 | C22 | O48 | 7.6° | 84.3° |
| C17 | C16 | N15 | C14 | 142.1° | 52.0° |
| C16 | C17 | C18 | C19 | 150.2° | 180.0° |
| C16 | C17 | C18 | H19 | 89.5° | 60.1° |
| C16 | C17 | C18 | H20 | 29.9° | 60.0° |
| C16 | C17 | H21 | H22 | 121.7° | 119.9° |
| C17 | C16 | N15 | H34 | 37.9° | 129.6° |
| C18 | C17 | C16 | C22 | 89.5° | 175.0° |
| C18 | C17 | C16 | N15 | 38.8° | 63.4° |
| C17 | C18 | C19 | C20 | 46.7° | 180.0° |
| C17 | C18 | C19 | H19 | 120.3° | 120.0° |
| C17 | C18 | C19 | H20 | 120.3° | 119.9° |
| C17 | C18 | C19 | H17 | 73.7° | 60.0° |
| C17 | C18 | C19 | H18 | 167.0° | 60.0° |
| C17 | C18 | H19 | H20 | 119.1° | 120.0° |
| C18 | C17 | H21 | H22 | 121.7° | 120.1° |
| C18 | C17 | C16 | H23 | 156.3° | 54.4° |
| C22 | C16 | N15 | H23 | 125.4° | 120.0° |
| C16 | C22 | N23 | O48 | 179.3° | 178.3° |
| C16 | C22 | N23 | C25 | 178.2° | 164.1° |
| C22 | C16 | N15 | C14 | 24.7° | 69.9° |
| C22 | C16 | C17 | H21 | 29.9° | 55.0° |
| C22 | C16 | C17 | H22 | 151.1° | 65.0° |
| C22 | C16 | N15 | H34 | 155.3° | 108.5° |
| N15 | C16 | C22 | N23 | 68.8° | 140.6° |
| N15 | C16 | C22 | O48 | 112.0° | 37.8° |
| C16 | N15 | C14 | H34 | 180.0° | 178.4° |
| C16 | N15 | C14 | O49 | 0.0° | 10.0° |
| C16 | N15 | C14 | C12 | 180.0° | 169.4° |
| N15 | C16 | C17 | H21 | 158.2° | 176.6° |
| N15 | C16 | C17 | H22 | 80.6° | 56.6° |
| N37 | C36 | C25 | N23 | 165.6° | 95.6° |
| C36 | N37 | C38 | H8 | 70.4° | 42.8° |
| N37 | C36 | C25 | H11 | 43.5° | 147.4° |
| C36 | C25 | N23 | C22 | 160.1° | 61.1° |
| C36 | C25 | N23 | H11 | 122.0° | 117.4° |
| C36 | C25 | C26 | H9 | 20.6° | 66.3° |
| C36 | C25 | C26 | H10 | 98.8° | 53.7° |
| C25 | C36 | N37 | H46 | 0.2° | 3.4° |
| C39 | C45 | C44 | C42 | 0.1° | 0.0° |
| C39 | C45 | C44 | H48 | 180.0° | 180.0° |
| C45 | C39 | C40 | H1 | 180.0° | 179.7° |
| C45 | C39 | C38 | H8 | 147.6° | 160.3° |
| C39 | C45 | C44 | H33 | 179.9° | 180.0° |
| C10 | C09 | C08 | C07 | 0.1° | 1.1° |
| C10 | C09 | C08 | C11 | 179.9° | 178.8° |
| C10 | C09 | C11 | C12 | 38.1° | 107.5° |
| C10 | C09 | C11 | H28 | 82.1° | 132.0° |
| C10 | C09 | C11 | H29 | 158.4° | 13.9° |
| C09 | C10 | H30 | H31 | 120.0° | 119.9° |
| C09 | C10 | H30 | H32 | 120.0° | 120.0° |
| C09 | C10 | H31 | H32 | 120.0° | 120.1° |
| C10 | C09 | C08 | H35 | 179.9° | 179.4° |
| C22 | N23 | C25 | H11 | 77.9° | 178.4° |
| C22 | N23 | C24 | H12 | 180.0° | 0.0° |
| C22 | N23 | C24 | H13 | 60.0° | 120.1° |
| C22 | N23 | C24 | H14 | 60.0° | 119.9° |
| N23 | C22 | C16 | H23 | 57.2° | 22.1° |
| C25 | N23 | C22 | O48 | 1.1° | 14.2° |
| N23 | C25 | C26 | H9 | 133.2° | 57.9° |
| N23 | C25 | C26 | H10 | 13.8° | 177.9° |
| C25 | N23 | C24 | H12 | 0.9° | 179.7° |
| C25 | N23 | C24 | H13 | 120.9° | 60.3° |
| C25 | N23 | C24 | H14 | 119.1° | 59.7° |
| O48 | C22 | C16 | H23 | 122.1° | 156.3° |
| C06 | C07 | C08 | H36 | 120.5° | 119.1° |
| C06 | C07 | C08 | H37 | 120.5° | 120.5° |
| C06 | C07 | C08 | C09 | 126.0° | 171.4° |
| C06 | C07 | C08 | H35 | 53.9° | 8.1° |
| C06 | C07 | H36 | H37 | 118.5° | 119.9° |
| C07 | C06 | H38 | H39 | 119.1° | 119.7° |
| C07 | C06 | C02 | H40 | 75.1° | 37.6° |
| C07 | C08 | C09 | H35 | 180.0° | 179.5° |
| C07 | C08 | C09 | C11 | 179.8° | 180.0° |
| C08 | C07 | H36 | H37 | 118.6° | 120.6° |
| C08 | C07 | C06 | H38 | 36.3° | 52.9° |
| C08 | C07 | C06 | H39 | 83.1° | 172.6° |
| C27 | C28 | N29 | H7 | 180.0° | 179.5° |
| C27 | C28 | N29 | C30 | 0.2° | 0.9° |
| C28 | C27 | C31 | C30 | 0.5° | 0.0° |
| C28 | C27 | C31 | C32 | 179.5° | 179.4° |
| C28 | C27 | C26 | H9 | 109.0° | 24.9° |
| C28 | C27 | C26 | H10 | 10.4° | 144.9° |
| C27 | C28 | N29 | H47 | 179.8° | 180.0° |
| N29 | C28 | C27 | C31 | 0.2° | 0.5° |
| C28 | N29 | C30 | H47 | 180.0° | 179.0° |
| C28 | N29 | C30 | C31 | 0.5° | 0.9° |
| C28 | N29 | C30 | C35 | 179.6° | 179.7° |
| C20 | C19 | C18 | H17 | 120.4° | 120.0° |
| C20 | C19 | C18 | H18 | 120.4° | 120.0° |
| C19 | C20 | H15 | H16 | 118.2° | 120.0° |
| C20 | C19 | H17 | H18 | 118.9° | 120.0° |
| C20 | C19 | C18 | H19 | 73.6° | 60.0° |
| C20 | C19 | C18 | H20 | 166.9° | 60.1° |
| C19 | C20 | N21 | H50 | 180.0° | 56.0° |
| C19 | C20 | N21 | H51 | 60.0° | 180.0° |
| C27 | C31 | C30 | N29 | 0.6° | 0.5° |
| C27 | C31 | C30 | C32 | 180.0° | 179.5° |
| C27 | C31 | C30 | C35 | 179.5° | 180.0° |
| C27 | C31 | C32 | C33 | 179.6° | 179.5° |
| C27 | C31 | C32 | H6 | 0.4° | 0.5° |
| C31 | C27 | C28 | H7 | 179.9° | 180.0° |
| C31 | C27 | C26 | H9 | 70.8° | 155.7° |
| C31 | C27 | C26 | H10 | 169.8° | 35.6° |
| N15 | C14 | O49 | C12 | 180.0° | 179.4° |
| N15 | C14 | C12 | C13 | 23.0° | 99.0° |
| N15 | C14 | C12 | C11 | 143.1° | 138.8° |
| C14 | N15 | C16 | H23 | 100.8° | 170.1° |
| N15 | C14 | C12 | H27 | 96.3° | 19.6° |
| O43 | C42 | C44 | C45 | 179.9° | 180.0° |
| O43 | C42 | C41 | H2 | 0.2° | 0.0° |
| O43 | C42 | C44 | H33 | 0.1° | 0.1° |
| C42 | C44 | C45 | H33 | 180.0° | 179.9° |
| C44 | C42 | C41 | H2 | 180.0° | 179.9° |
| C42 | C44 | C45 | H48 | 179.9° | 179.9° |
| C44 | C42 | O43 | H49 | 0.1° | 90.1° |
| C18 | C19 | C20 | H15 | 135.6° | 60.0° |
| C18 | C19 | C20 | H16 | 16.8° | 59.9° |
| C18 | C19 | H17 | H18 | 118.8° | 120.1° |
| C19 | C18 | H19 | H20 | 119.2° | 120.0° |
| C19 | C18 | C17 | H21 | 30.8° | 60.0° |
| C19 | C18 | C17 | H22 | 90.3° | 60.1° |
| N29 | C30 | C31 | C35 | 179.9° | 179.5° |
| N29 | C30 | C31 | C32 | 179.3° | 180.0° |
| N29 | C30 | C35 | C34 | 179.6° | 179.9° |
| N29 | C30 | C35 | H3 | 0.4° | 0.4° |
| C30 | N29 | C28 | H7 | 179.8° | 179.6° |
| C08 | C09 | C11 | C12 | 142.0° | 73.6° |
| C08 | C09 | C11 | H28 | 97.8° | 46.8° |
| C08 | C09 | C11 | H29 | 21.7° | 165.0° |
| C08 | C09 | C10 | H30 | 180.0° | 0.0° |
| C08 | C09 | C10 | H31 | 60.0° | 120.0° |
| C08 | C09 | C10 | H32 | 60.0° | 120.0° |
| C09 | C08 | C07 | H36 | 5.6° | 69.5° |
| C09 | C08 | C07 | H37 | 113.5° | 50.9° |
| C09 | C11 | C12 | C14 | 28.7° | 103.7° |
| C09 | C11 | C12 | C13 | 90.1° | 17.2° |
| C09 | C11 | C12 | H28 | 120.3° | 120.3° |
| C09 | C11 | C12 | H29 | 120.3° | 121.3° |
| C09 | C11 | C12 | H27 | 149.2° | 137.4° |
| C09 | C11 | H28 | H29 | 119.2° | 118.6° |
| C11 | C09 | C10 | H30 | 0.1° | 178.8° |
| C11 | C09 | C10 | H31 | 120.1° | 58.9° |
| C11 | C09 | C10 | H32 | 119.9° | 61.2° |
| C11 | C09 | C08 | H35 | 0.2° | 0.5° |
| O49 | C14 | C12 | C13 | 156.9° | 81.6° |
| O49 | C14 | C12 | C11 | 36.8° | 40.6° |
| O49 | C14 | C12 | H27 | 83.8° | 159.9° |
| O49 | C14 | N15 | H34 | 180.0° | 168.3° |
| C14 | C12 | C13 | C11 | 120.0° | 120.8° |
| C14 | C12 | C13 | H27 | 119.2° | 118.6° |
| C14 | C12 | C11 | H27 | 120.5° | 118.8° |
| C14 | C12 | C13 | H24 | 180.0° | 60.0° |
| C14 | C12 | C13 | H25 | 60.0° | 180.0° |
| C14 | C12 | C13 | H26 | 60.0° | 60.0° |
| C14 | C12 | C11 | H28 | 149.0° | 16.6° |
| C14 | C12 | C11 | H29 | 91.5° | 135.0° |
| C12 | C14 | N15 | H34 | 0.0° | 12.2° |
| C30 | C31 | C32 | C33 | 0.4° | 0.2° |
| C31 | C30 | C35 | C34 | 0.2° | 0.6° |
| C31 | C30 | C35 | H3 | 179.8° | 179.7° |
| C30 | C31 | C32 | H6 | 179.6° | 179.8° |
| C31 | C30 | N29 | H47 | 179.4° | 179.9° |
| C32 | C31 | C30 | C35 | 0.5° | 0.5° |
| C31 | C32 | C33 | H6 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C31 | C32 | C33 | H5 | 180.0° | 180.0° |
| C13 | C12 | C11 | H27 | 120.7° | 120.2° |
| C12 | C13 | H24 | H25 | 120.0° | 120.0° |
| C12 | C13 | H24 | H26 | 120.0° | 120.0° |
| C12 | C13 | H25 | H26 | 120.0° | 120.1° |
| C13 | C12 | C11 | H28 | 30.2° | 137.6° |
| C13 | C12 | C11 | H29 | 149.7° | 104.1° |
| C30 | C35 | C34 | H3 | 180.0° | 179.7° |
| C30 | C35 | C34 | C33 | 0.2° | 0.3° |
| C30 | C35 | C34 | H4 | 179.8° | 179.7° |
| C35 | C30 | N29 | H47 | 0.4° | 0.7° |
| C32 | C33 | C34 | C35 | 0.3° | 0.0° |
| C32 | C33 | C34 | H5 | 180.0° | 179.9° |
| C32 | C33 | C34 | H4 | 179.7° | 180.0° |
| C11 | C12 | C13 | H24 | 60.0° | 60.8° |
| C11 | C12 | C13 | H25 | 180.0° | 59.2° |
| C11 | C12 | C13 | H26 | 60.0° | 179.2° |
| C12 | C11 | H28 | H29 | 119.2° | 119.0° |
| C35 | C34 | C33 | H4 | 180.0° | 180.0° |
| C35 | C34 | C33 | H5 | 179.7° | 179.9° |
| C33 | C34 | C35 | H3 | 179.8° | 180.0° |
| C34 | C33 | C32 | H6 | 180.0° | 180.0° |
| H1 | C40 | C41 | H2 | 0.0° | 0.3° |
| H3 | C35 | C34 | H4 | 0.2° | 0.0° |
| H4 | C34 | C33 | H5 | 0.3° | 0.0° |
| H5 | C33 | C32 | H6 | 0.0° | 0.0° |
| H7 | C28 | N29 | H47 | 0.3° | 0.6° |
| H8 | C38 | C46 | H44 | 144.5° | 57.0° |
| H8 | C38 | C46 | H45 | 26.1° | 62.9° |
| H8 | C38 | N37 | H46 | 109.6° | 136.5° |
| H9 | C26 | C25 | H11 | 100.6° | 175.0° |
| H10 | C26 | C25 | H11 | 140.0° | 65.0° |
| H12 | C24 | H13 | H14 | 120.0° | 119.9° |
| H15 | C20 | C19 | H17 | 104.0° | 60.0° |
| H15 | C20 | C19 | H18 | 15.2° | 180.0° |
| H15 | C20 | N21 | H50 | 59.4° | 64.0° |
| H15 | C20 | N21 | H51 | 60.6° | 60.1° |
| H16 | C20 | C19 | H17 | 137.2° | 180.0° |
| H16 | C20 | C19 | H18 | 103.6° | 60.1° |
| H16 | C20 | N21 | H50 | 59.4° | 176.0° |
| H16 | C20 | N21 | H51 | 179.4° | 59.9° |
| H17 | C19 | C18 | H19 | 166.0° | 180.0° |
| H17 | C19 | C18 | H20 | 46.6° | 59.9° |
| H18 | C19 | C18 | H19 | 46.8° | 59.9° |
| H18 | C19 | C18 | H20 | 72.7° | 180.0° |
| H19 | C18 | C17 | H21 | 151.1° | 180.0° |
| H19 | C18 | C17 | H22 | 29.9° | 59.9° |
| H20 | C18 | C17 | H21 | 89.5° | 59.9° |
| H20 | C18 | C17 | H22 | 149.4° | 180.0° |
| H21 | C17 | C16 | H23 | 84.2° | 65.6° |
| H22 | C17 | C16 | H23 | 36.9° | 174.4° |
| H23 | C16 | N15 | H34 | 79.2° | 11.5° |
| H24 | C13 | H25 | H26 | 119.9° | 120.0° |
| H24 | C13 | C12 | H27 | 60.8° | 178.6° |
| H25 | C13 | C12 | H27 | 59.2° | 61.5° |
| H26 | C13 | C12 | H27 | 179.2° | 58.6° |
| H27 | C12 | C11 | H28 | 90.5° | 102.2° |
| H27 | C12 | C11 | H29 | 29.0° | 16.2° |
| H30 | C10 | H31 | H32 | 120.0° | 120.0° |
| H33 | C44 | C45 | H48 | 0.1° | 0.0° |
| H35 | C08 | C07 | H36 | 174.4° | 111.0° |
| H35 | C08 | C07 | H37 | 66.5° | 128.6° |
| H36 | C07 | C06 | H38 | 156.8° | 66.3° |
| H36 | C07 | C06 | H39 | 37.4° | 53.5° |
| H37 | C07 | C06 | H38 | 84.2° | 173.7° |
| H37 | C07 | C06 | H39 | 156.4° | 66.6° |
| H38 | C06 | C02 | H40 | 164.6° | 82.3° |
| H39 | C06 | C02 | H40 | 45.1° | 157.8° |
| H40 | C02 | C01 | H41 | 59.9° | 179.8° |
| H40 | C02 | C01 | H42 | 60.1° | 60.2° |
| H40 | C02 | C01 | H43 | 180.0° | 59.8° |
| H41 | C01 | H42 | H43 | 120.0° | 120.0° |
