Z8Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | sing | 1.51Å | 1.52Å | |
| C07 | N08 | sing | 1.46Å | 1.46Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C06 | C48 | doub | 1.34Å | 1.42Å | Aromatic |
| C06 | N05 | sing | 1.32Å | 1.39Å | Aromatic |
| C48 | S49 | sing | 1.76Å | 1.73Å | Aromatic |
| N05 | C04 | doub | 1.29Å | 1.36Å | Aromatic |
| C04 | S49 | sing | 1.71Å | 1.75Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.49Å | |
| N08 | C09 | sing | 1.46Å | 1.47Å | |
| N08 | C10 | sing | 1.35Å | 1.35Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| O11 | C10 | doub | 1.22Å | 1.24Å | |
| C10 | N12 | sing | 1.35Å | 1.34Å | |
| N12 | C13 | sing | 1.47Å | 1.46Å | |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C45 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C47 | C45 | sing | 1.53Å | 1.54Å | |
| C36 | O37 | sing | 1.34Å | 1.39Å | Aromatic |
| C36 | N35 | doub | 1.30Å | 1.35Å | Aromatic |
| C46 | C45 | sing | 1.53Å | 1.54Å | |
| C43 | C44 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | N16 | sing | 1.35Å | 1.33Å | |
| C14 | O15 | doub | 1.21Å | 1.24Å | |
| O37 | C33 | sing | 1.35Å | 1.37Å | Aromatic |
| N35 | C34 | sing | 1.35Å | 1.35Å | Aromatic |
| C39 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C38 | sing | 1.51Å | 1.51Å | |
| N16 | C17 | sing | 1.46Å | 1.46Å | |
| C38 | C17 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | doub | 1.34Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| O31 | C32 | sing | 1.45Å | 1.44Å | |
| O31 | C29 | sing | 1.35Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| N28 | C29 | sing | 1.35Å | 1.35Å | |
| N28 | C20 | sing | 1.47Å | 1.48Å | |
| C29 | O30 | doub | 1.22Å | 1.23Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | H1 | sing | 1.09Å | 1.10Å | |
| C32 | H2 | sing | 1.09Å | 1.10Å | |
| C36 | H3 | sing | 1.08Å | 1.08Å | |
| C34 | H4 | sing | 1.08Å | 1.08Å | |
| N28 | H5 | sing | 0.97Å | 1.00Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C38 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C44 | H21 | sing | 1.08Å | 1.08Å | |
| C43 | H22 | sing | 1.08Å | 1.08Å | |
| C42 | H23 | sing | 1.08Å | 1.08Å | |
| C41 | H24 | sing | 1.08Å | 1.08Å | |
| C40 | H25 | sing | 1.08Å | 1.08Å | |
| N16 | H26 | sing | 0.97Å | 1.00Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C45 | H28 | sing | 1.09Å | 1.10Å | |
| C47 | H29 | sing | 1.09Å | 1.10Å | |
| C47 | H30 | sing | 1.09Å | 1.10Å | |
| C47 | H31 | sing | 1.09Å | 1.10Å | |
| C46 | H32 | sing | 1.09Å | 1.10Å | |
| C46 | H33 | sing | 1.09Å | 1.10Å | |
| C46 | H34 | sing | 1.09Å | 1.10Å | |
| N12 | H35 | sing | 0.97Å | 1.00Å | |
| C09 | H36 | sing | 1.09Å | 1.10Å | |
| C09 | H37 | sing | 1.09Å | 1.10Å | |
| C09 | H38 | sing | 1.09Å | 1.10Å | |
| C07 | H39 | sing | 1.09Å | 1.10Å | |
| C07 | H40 | sing | 1.09Å | 1.10Å | |
| C48 | H41 | sing | 1.08Å | 1.08Å | |
| C02 | H42 | sing | 1.09Å | 1.10Å | |
| C03 | H43 | sing | 1.09Å | 1.10Å | |
| C03 | H44 | sing | 1.09Å | 1.10Å | |
| C03 | H45 | sing | 1.09Å | 1.10Å | |
| C01 | H46 | sing | 1.09Å | 1.10Å | |
| C01 | H47 | sing | 1.09Å | 1.10Å | |
| C01 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | N08 | 110.9° | 109.4° |
| C07 | C06 | C48 | 122.8° | 122.7° |
| C07 | C06 | N05 | 122.2° | 122.7° |
| C06 | C07 | H39 | 109.1° | 109.5° |
| C06 | C07 | H40 | 109.1° | 109.5° |
| C07 | N08 | C09 | 115.2° | 120.0° |
| C07 | N08 | C10 | 122.2° | 120.0° |
| N08 | C07 | H39 | 109.1° | 109.5° |
| N08 | C07 | H40 | 109.1° | 109.5° |
| C03 | C02 | C04 | 106.0° | 109.4° |
| C03 | C02 | C01 | 112.9° | 109.5° |
| C03 | C02 | H42 | 108.2° | 109.4° |
| C02 | C03 | H43 | 109.5° | 109.5° |
| C02 | C03 | H44 | 109.5° | 109.5° |
| C02 | C03 | H45 | 109.5° | 109.4° |
| C48 | C06 | N05 | 115.0° | 114.5° |
| C06 | C48 | S49 | 107.2° | 107.9° |
| C06 | C48 | H41 | 126.4° | 126.1° |
| C06 | N05 | C04 | 114.2° | 117.1° |
| C48 | S49 | C04 | 93.9° | 90.3° |
| S49 | C48 | H41 | 126.4° | 126.0° |
| N05 | C04 | S49 | 109.7° | 110.2° |
| N05 | C04 | C02 | 133.3° | 124.9° |
| S49 | C04 | C02 | 116.9° | 125.0° |
| C04 | C02 | C01 | 112.7° | 109.5° |
| C04 | C02 | H42 | 108.7° | 109.5° |
| C09 | N08 | C10 | 122.5° | 120.0° |
| N08 | C09 | H36 | 109.5° | 109.5° |
| N08 | C09 | H37 | 109.5° | 109.5° |
| N08 | C09 | H38 | 109.4° | 109.5° |
| N08 | C10 | O11 | 120.4° | 120.0° |
| N08 | C10 | N12 | 119.1° | 120.0° |
| C01 | C02 | H42 | 108.2° | 109.5° |
| C02 | C01 | H46 | 109.5° | 109.5° |
| C02 | C01 | H47 | 109.4° | 109.5° |
| C02 | C01 | H48 | 109.5° | 109.5° |
| O11 | C10 | N12 | 120.5° | 120.0° |
| C10 | N12 | C13 | 120.4° | 120.0° |
| C10 | N12 | H35 | 119.8° | 120.0° |
| N12 | C13 | C45 | 114.6° | 109.5° |
| N12 | C13 | C14 | 112.3° | 109.5° |
| N12 | C13 | H27 | 105.7° | 109.5° |
| C13 | N12 | H35 | 119.8° | 120.0° |
| C42 | C41 | C40 | 119.5° | 120.0° |
| C41 | C42 | C43 | 120.3° | 119.9° |
| C41 | C42 | H23 | 119.9° | 120.1° |
| C42 | C41 | H24 | 120.2° | 119.9° |
| C41 | C40 | C39 | 120.2° | 120.0° |
| C40 | C41 | H24 | 120.2° | 120.0° |
| C41 | C40 | H25 | 119.9° | 120.0° |
| C42 | C43 | C44 | 120.2° | 120.0° |
| C42 | C43 | H22 | 119.9° | 120.0° |
| C43 | C42 | H23 | 119.9° | 120.0° |
| C40 | C39 | C44 | 120.2° | 120.0° |
| C40 | C39 | C38 | 120.1° | 120.0° |
| C39 | C40 | H25 | 119.9° | 120.0° |
| C45 | C13 | C14 | 113.1° | 109.5° |
| C13 | C45 | C47 | 110.9° | 109.5° |
| C13 | C45 | C46 | 112.9° | 109.4° |
| C45 | C13 | H27 | 104.9° | 109.5° |
| C13 | C45 | H28 | 106.9° | 109.5° |
| C13 | C14 | N16 | 110.2° | 120.0° |
| C13 | C14 | O15 | 123.7° | 120.0° |
| C14 | C13 | H27 | 105.2° | 109.5° |
| C47 | C45 | C46 | 112.0° | 109.5° |
| C47 | C45 | H28 | 106.9° | 109.5° |
| C45 | C47 | H29 | 109.5° | 109.5° |
| C45 | C47 | H30 | 109.5° | 109.5° |
| C45 | C47 | H31 | 109.5° | 109.4° |
| O37 | C36 | N35 | 110.9° | 108.8° |
| C36 | O37 | C33 | 106.4° | 107.7° |
| O37 | C36 | H3 | 124.5° | 125.6° |
| C36 | N35 | C34 | 105.3° | 108.7° |
| N35 | C36 | H3 | 124.6° | 125.6° |
| C46 | C45 | H28 | 106.9° | 109.5° |
| C45 | C46 | H32 | 109.5° | 109.5° |
| C45 | C46 | H33 | 109.5° | 109.5° |
| C45 | C46 | H34 | 109.4° | 109.5° |
| C43 | C44 | C39 | 119.6° | 120.0° |
| C43 | C44 | H21 | 120.2° | 120.0° |
| C44 | C43 | H22 | 119.9° | 120.0° |
| N16 | C14 | O15 | 126.1° | 120.0° |
| C14 | N16 | C17 | 129.0° | 120.0° |
| C14 | N16 | H26 | 115.5° | 120.0° |
| O37 | C33 | C34 | 106.3° | 107.2° |
| O37 | C33 | C32 | 127.9° | 126.4° |
| N35 | C34 | C33 | 111.1° | 107.6° |
| N35 | C34 | H4 | 124.5° | 126.2° |
| C44 | C39 | C38 | 119.8° | 120.0° |
| C39 | C44 | H21 | 120.2° | 120.0° |
| C39 | C38 | C17 | 107.1° | 109.5° |
| C39 | C38 | H19 | 110.1° | 109.5° |
| C39 | C38 | H20 | 110.1° | 109.5° |
| N16 | C17 | C38 | 109.3° | 109.5° |
| N16 | C17 | C18 | 115.2° | 109.5° |
| N16 | C17 | H18 | 107.3° | 109.5° |
| C17 | N16 | H26 | 115.5° | 120.0° |
| C38 | C17 | C18 | 111.7° | 109.5° |
| C38 | C17 | H18 | 106.4° | 109.5° |
| C17 | C38 | H19 | 110.1° | 109.4° |
| C17 | C38 | H20 | 110.1° | 109.5° |
| C34 | C33 | C32 | 125.8° | 126.4° |
| C33 | C34 | H4 | 124.4° | 126.2° |
| C33 | C32 | O31 | 112.6° | 109.5° |
| C33 | C32 | H1 | 108.7° | 109.4° |
| C33 | C32 | H2 | 108.7° | 109.5° |
| C17 | C18 | C19 | 108.0° | 109.5° |
| C17 | C18 | H16 | 109.9° | 109.5° |
| C17 | C18 | H17 | 109.8° | 109.5° |
| C18 | C17 | H18 | 106.5° | 109.5° |
| C32 | O31 | C29 | 122.3° | 117.0° |
| O31 | C32 | H1 | 108.7° | 109.5° |
| O31 | C32 | H2 | 108.7° | 109.5° |
| O31 | C29 | N28 | 118.0° | 120.0° |
| O31 | C29 | O30 | 118.0° | 120.1° |
| C18 | C19 | C20 | 114.1° | 109.5° |
| C18 | C19 | H14 | 108.3° | 109.4° |
| C18 | C19 | H15 | 108.3° | 109.5° |
| C19 | C18 | H16 | 109.8° | 109.5° |
| C19 | C18 | H17 | 109.8° | 109.5° |
| C29 | N28 | C20 | 128.7° | 119.9° |
| N28 | C29 | O30 | 124.0° | 120.0° |
| C29 | N28 | H5 | 115.7° | 120.0° |
| N28 | C20 | C19 | 114.1° | 109.4° |
| N28 | C20 | C21 | 113.3° | 109.4° |
| C20 | N28 | H5 | 115.6° | 120.0° |
| N28 | C20 | H6 | 108.0° | 109.5° |
| C19 | C20 | C21 | 106.1° | 109.5° |
| C19 | C20 | H6 | 107.4° | 109.5° |
| C20 | C19 | H14 | 108.3° | 109.5° |
| C20 | C19 | H15 | 108.3° | 109.5° |
| C20 | C21 | C22 | 114.4° | 109.5° |
| C21 | C20 | H6 | 107.4° | 109.5° |
| C20 | C21 | H7 | 108.2° | 109.5° |
| C20 | C21 | H8 | 108.2° | 109.4° |
| C24 | C23 | C22 | 120.1° | 120.0° |
| C23 | C24 | C25 | 119.7° | 120.0° |
| C23 | C24 | H12 | 120.1° | 120.0° |
| C24 | C23 | H13 | 119.9° | 120.0° |
| C23 | C22 | C21 | 121.8° | 120.0° |
| C23 | C22 | C27 | 119.8° | 120.0° |
| C22 | C23 | H13 | 119.9° | 120.0° |
| C24 | C25 | C26 | 120.6° | 120.0° |
| C24 | C25 | H11 | 119.7° | 120.0° |
| C25 | C24 | H12 | 120.1° | 120.0° |
| C21 | C22 | C27 | 118.4° | 120.0° |
| C22 | C21 | H7 | 108.2° | 109.5° |
| C22 | C21 | H8 | 108.2° | 109.5° |
| C22 | C27 | C26 | 120.2° | 120.0° |
| C22 | C27 | H9 | 119.9° | 119.9° |
| C25 | C26 | C27 | 119.6° | 120.0° |
| C25 | C26 | H10 | 120.2° | 120.0° |
| C26 | C25 | H11 | 119.7° | 120.0° |
| C26 | C27 | H9 | 119.9° | 120.0° |
| C27 | C26 | H10 | 120.2° | 120.0° |
| H1 | C32 | H2 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.4° |
| H16 | C18 | H17 | 109.4° | 109.4° |
| H19 | C38 | H20 | 109.5° | 109.4° |
| H29 | C47 | H30 | 109.5° | 109.4° |
| H29 | C47 | H31 | 109.4° | 109.5° |
| H30 | C47 | H31 | 109.4° | 109.5° |
| H32 | C46 | H33 | 109.5° | 109.5° |
| H32 | C46 | H34 | 109.5° | 109.5° |
| H33 | C46 | H34 | 109.5° | 109.4° |
| H36 | C09 | H37 | 109.5° | 109.4° |
| H36 | C09 | H38 | 109.5° | 109.5° |
| H37 | C09 | H38 | 109.5° | 109.5° |
| H39 | C07 | H40 | 109.5° | 109.5° |
| H43 | C03 | H44 | 109.5° | 109.5° |
| H43 | C03 | H45 | 109.4° | 109.5° |
| H44 | C03 | H45 | 109.5° | 109.5° |
| H46 | C01 | H47 | 109.5° | 109.5° |
| H46 | C01 | H48 | 109.5° | 109.5° |
| H47 | C01 | H48 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | N08 | H39 | 120.2° | 120.0° |
| C06 | C07 | N08 | H40 | 120.2° | 120.0° |
| C07 | C06 | C48 | N05 | 179.9° | 179.8° |
| C07 | C06 | C48 | S49 | 179.9° | 180.0° |
| C07 | C06 | N05 | C04 | 179.4° | 180.0° |
| C06 | C07 | N08 | C09 | 114.2° | 90.0° |
| C06 | C07 | N08 | C10 | 66.6° | 90.0° |
| C06 | C07 | H39 | H40 | 119.3° | 120.0° |
| C07 | C06 | C48 | H41 | 0.1° | 0.0° |
| N08 | C07 | C06 | C48 | 86.6° | 95.0° |
| N08 | C07 | C06 | N05 | 93.5° | 84.8° |
| C07 | N08 | C09 | C10 | 179.2° | 180.0° |
| C07 | N08 | C10 | O11 | 97.4° | 0.0° |
| C07 | N08 | C10 | N12 | 82.8° | 180.0° |
| C07 | N08 | C09 | H36 | 180.0° | 90.0° |
| C07 | N08 | C09 | H37 | 60.0° | 29.9° |
| C07 | N08 | C09 | H38 | 60.0° | 150.0° |
| N08 | C07 | H39 | H40 | 119.4° | 120.0° |
| C03 | C02 | C04 | N05 | 109.7° | 120.0° |
| C03 | C02 | C04 | S49 | 68.2° | 59.9° |
| C03 | C02 | C04 | C01 | 123.9° | 120.0° |
| C03 | C02 | C04 | H42 | 116.2° | 119.9° |
| C03 | C02 | C01 | H42 | 119.7° | 120.0° |
| C02 | C03 | H43 | H44 | 120.0° | 120.0° |
| C02 | C03 | H43 | H45 | 120.0° | 120.0° |
| C02 | C03 | H44 | H45 | 120.0° | 120.0° |
| C03 | C02 | C01 | H46 | 180.0° | 180.0° |
| C03 | C02 | C01 | H47 | 60.0° | 60.0° |
| C03 | C02 | C01 | H48 | 60.0° | 60.0° |
| C06 | C48 | S49 | H41 | 180.0° | 180.0° |
| C48 | C06 | N05 | C04 | 0.7° | 0.2° |
| C06 | C48 | S49 | C04 | 0.3° | 0.1° |
| C48 | C06 | C07 | H39 | 33.6° | 25.0° |
| C48 | C06 | C07 | H40 | 153.2° | 145.0° |
| N05 | C06 | C48 | S49 | 0.2° | 0.2° |
| C06 | N05 | C04 | S49 | 0.9° | 0.1° |
| C06 | N05 | C04 | C02 | 178.9° | 180.0° |
| N05 | C06 | C07 | H39 | 146.3° | 155.2° |
| N05 | C06 | C07 | H40 | 26.7° | 35.2° |
| N05 | C06 | C48 | H41 | 179.8° | 179.8° |
| C48 | S49 | C04 | N05 | 0.6° | 0.0° |
| C48 | S49 | C04 | C02 | 179.0° | 179.9° |
| N05 | C04 | S49 | C02 | 178.4° | 180.0° |
| N05 | C04 | C02 | C01 | 126.4° | 120.0° |
| N05 | C04 | C02 | H42 | 6.5° | 0.1° |
| S49 | C04 | C02 | C01 | 55.7° | 60.0° |
| C04 | S49 | C48 | H41 | 179.7° | 179.8° |
| S49 | C04 | C02 | H42 | 175.6° | 179.9° |
| C04 | C02 | C01 | H42 | 120.3° | 120.1° |
| C04 | C02 | C03 | H43 | 180.0° | 60.0° |
| C04 | C02 | C03 | H44 | 60.0° | 60.0° |
| C04 | C02 | C03 | H45 | 60.0° | 179.9° |
| C04 | C02 | C01 | H46 | 59.9° | 60.0° |
| C04 | C02 | C01 | H47 | 180.0° | 179.9° |
| C04 | C02 | C01 | H48 | 60.1° | 60.0° |
| C09 | N08 | C10 | O11 | 81.7° | 179.9° |
| C09 | N08 | C10 | N12 | 98.1° | 0.0° |
| N08 | C09 | H36 | H37 | 120.0° | 119.9° |
| N08 | C09 | H36 | H38 | 120.0° | 120.1° |
| N08 | C09 | H37 | H38 | 120.0° | 120.0° |
| C09 | N08 | C07 | H39 | 125.6° | 150.0° |
| C09 | N08 | C07 | H40 | 6.0° | 29.9° |
| N08 | C10 | O11 | N12 | 179.8° | 179.9° |
| N08 | C10 | N12 | C13 | 82.9° | 180.0° |
| N08 | C10 | N12 | H35 | 97.0° | 0.0° |
| C10 | N08 | C09 | H36 | 0.8° | 90.0° |
| C10 | N08 | C09 | H37 | 119.2° | 150.0° |
| C10 | N08 | C09 | H38 | 120.8° | 30.0° |
| C10 | N08 | C07 | H39 | 53.6° | 30.0° |
| C10 | N08 | C07 | H40 | 173.2° | 150.0° |
| C01 | C02 | C03 | H43 | 56.2° | 180.0° |
| C01 | C02 | C03 | H44 | 176.2° | 60.0° |
| C01 | C02 | C03 | H45 | 63.8° | 60.0° |
| C02 | C01 | H46 | H47 | 120.0° | 120.0° |
| C02 | C01 | H46 | H48 | 120.0° | 120.0° |
| C02 | C01 | H47 | H48 | 120.0° | 120.0° |
| O11 | C10 | N12 | C13 | 96.8° | 0.0° |
| O11 | C10 | N12 | H35 | 83.2° | 179.9° |
| C10 | N12 | C13 | H35 | 180.0° | 180.0° |
| C10 | N12 | C13 | C45 | 137.0° | 85.0° |
| C10 | N12 | C13 | C14 | 92.2° | 155.0° |
| C10 | N12 | C13 | H27 | 22.0° | 35.0° |
| N12 | C13 | C45 | C14 | 130.5° | 120.0° |
| N12 | C13 | C45 | H27 | 115.4° | 120.0° |
| N12 | C13 | C14 | H27 | 114.5° | 120.0° |
| N12 | C13 | C45 | C47 | 85.2° | 65.3° |
| N12 | C13 | C45 | C46 | 41.4° | 174.7° |
| N12 | C13 | C14 | N16 | 104.7° | 152.4° |
| N12 | C13 | C14 | O15 | 73.3° | 27.7° |
| N12 | C13 | C45 | H28 | 158.7° | 54.7° |
| C42 | C41 | C40 | H24 | 180.0° | 179.7° |
| C41 | C42 | C43 | H23 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 0.0° | 0.6° |
| C41 | C42 | C43 | C44 | 0.1° | 0.0° |
| C41 | C42 | C43 | H22 | 179.9° | 179.9° |
| C42 | C41 | C40 | H25 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.1° | 0.3° |
| C41 | C40 | C39 | H25 | 180.0° | 179.4° |
| C41 | C40 | C39 | C44 | 0.2° | 0.6° |
| C41 | C40 | C39 | C38 | 179.1° | 179.7° |
| C40 | C41 | C42 | H23 | 179.9° | 179.7° |
| C42 | C43 | C44 | H22 | 180.0° | 179.9° |
| C42 | C43 | C44 | C39 | 0.0° | 0.0° |
| C42 | C43 | C44 | H21 | 180.0° | 179.9° |
| C43 | C42 | C41 | H24 | 179.9° | 180.0° |
| C40 | C39 | C44 | C43 | 0.2° | 0.3° |
| C40 | C39 | C44 | C38 | 179.2° | 179.7° |
| C40 | C39 | C38 | C17 | 80.3° | 90.3° |
| C40 | C39 | C38 | H19 | 160.1° | 149.7° |
| C40 | C39 | C38 | H20 | 39.4° | 29.8° |
| C40 | C39 | C44 | H21 | 179.9° | 179.8° |
| C39 | C40 | C41 | H24 | 180.0° | 179.7° |
| C45 | C13 | C14 | H27 | 113.9° | 120.0° |
| C13 | C45 | C47 | C46 | 127.2° | 120.0° |
| C13 | C45 | C47 | H28 | 116.1° | 120.1° |
| C13 | C45 | C46 | H28 | 117.2° | 120.0° |
| C45 | C13 | C14 | N16 | 123.7° | 87.6° |
| C45 | C13 | C14 | O15 | 58.3° | 92.3° |
| C13 | C45 | C47 | H29 | 180.0° | 60.0° |
| C13 | C45 | C47 | H30 | 60.0° | 179.9° |
| C13 | C45 | C47 | H31 | 60.0° | 60.0° |
| C13 | C45 | C46 | H32 | 180.0° | 53.9° |
| C13 | C45 | C46 | H33 | 60.0° | 173.9° |
| C13 | C45 | C46 | H34 | 60.0° | 66.1° |
| C45 | C13 | N12 | H35 | 43.0° | 95.0° |
| C14 | C13 | C45 | C47 | 144.3° | 54.6° |
| C14 | C13 | C45 | C46 | 89.0° | 65.3° |
| C13 | C14 | N16 | O15 | 177.9° | 180.0° |
| C13 | C14 | N16 | C17 | 131.2° | 175.7° |
| C13 | C14 | N16 | H26 | 48.8° | 4.3° |
| C14 | C13 | C45 | H28 | 28.2° | 174.7° |
| C14 | C13 | N12 | H35 | 87.8° | 25.0° |
| C47 | C45 | C46 | H28 | 116.7° | 120.0° |
| C47 | C45 | C13 | H27 | 30.2° | 174.7° |
| C45 | C47 | H29 | H30 | 120.0° | 120.0° |
| C45 | C47 | H29 | H31 | 120.0° | 120.0° |
| C45 | C47 | H30 | H31 | 120.0° | 120.0° |
| C47 | C45 | C46 | H32 | 53.9° | 173.8° |
| C47 | C45 | C46 | H33 | 66.1° | 66.1° |
| C47 | C45 | C46 | H34 | 173.9° | 53.8° |
| O37 | C36 | N35 | H3 | 180.0° | 179.9° |
| O37 | C36 | N35 | C34 | 0.6° | 0.1° |
| C36 | O37 | C33 | C34 | 0.5° | 0.0° |
| C36 | O37 | C33 | C32 | 179.9° | 179.7° |
| N35 | C36 | O37 | C33 | 0.7° | 0.0° |
| C36 | N35 | C34 | C33 | 0.2° | 0.1° |
| C36 | N35 | C34 | H4 | 179.8° | 179.8° |
| C46 | C45 | C13 | H27 | 156.9° | 54.7° |
| C46 | C45 | C47 | H29 | 52.8° | 59.9° |
| C46 | C45 | C47 | H30 | 172.8° | 60.0° |
| C46 | C45 | C47 | H31 | 67.2° | 180.0° |
| C45 | C46 | H32 | H33 | 120.0° | 120.0° |
| C45 | C46 | H32 | H34 | 120.0° | 120.0° |
| C45 | C46 | H33 | H34 | 120.0° | 120.0° |
| C43 | C44 | C39 | H21 | 180.0° | 179.9° |
| C43 | C44 | C39 | C38 | 179.1° | 180.0° |
| C44 | C43 | C42 | H23 | 179.9° | 180.0° |
| C14 | N16 | C17 | H26 | 180.0° | 180.0° |
| C14 | N16 | C17 | C38 | 150.7° | 85.0° |
| C14 | N16 | C17 | C18 | 24.0° | 155.0° |
| C14 | N16 | C17 | H18 | 94.3° | 35.0° |
| N16 | C14 | C13 | H27 | 9.8° | 32.4° |
| O15 | C14 | N16 | C17 | 50.9° | 4.3° |
| O15 | C14 | N16 | H26 | 129.2° | 175.7° |
| O15 | C14 | C13 | H27 | 172.2° | 147.7° |
| O37 | C33 | C34 | N35 | 0.2° | 0.0° |
| O37 | C33 | C34 | C32 | 179.6° | 179.7° |
| O37 | C33 | C32 | O31 | 59.6° | 89.7° |
| O37 | C33 | C32 | H1 | 60.9° | 150.3° |
| O37 | C33 | C32 | H2 | 180.0° | 30.3° |
| C33 | O37 | C36 | H3 | 179.3° | 180.0° |
| O37 | C33 | C34 | H4 | 179.8° | 179.8° |
| N35 | C34 | C33 | H4 | 180.0° | 179.8° |
| N35 | C34 | C33 | C32 | 179.8° | 179.7° |
| C34 | N35 | C36 | H3 | 179.5° | 180.0° |
| C44 | C39 | C38 | C17 | 98.9° | 90.0° |
| C44 | C39 | C38 | H19 | 20.7° | 30.0° |
| C44 | C39 | C38 | H20 | 141.4° | 150.0° |
| C39 | C44 | C43 | H22 | 180.0° | 179.9° |
| C44 | C39 | C40 | H25 | 179.8° | 180.0° |
| C39 | C38 | C17 | N16 | 61.4° | 65.0° |
| C39 | C38 | C17 | H19 | 119.6° | 120.0° |
| C39 | C38 | C17 | H20 | 119.7° | 120.1° |
| C39 | C38 | C17 | C18 | 170.0° | 175.0° |
| C39 | C38 | C17 | H18 | 54.1° | 55.0° |
| C39 | C38 | H19 | H20 | 121.1° | 120.0° |
| C38 | C39 | C44 | H21 | 0.9° | 0.0° |
| C38 | C39 | C40 | H25 | 0.9° | 0.3° |
| N16 | C17 | C38 | C18 | 128.6° | 120.0° |
| N16 | C17 | C38 | H18 | 115.5° | 120.0° |
| N16 | C17 | C18 | H18 | 118.7° | 120.0° |
| N16 | C17 | C18 | C19 | 138.6° | 65.0° |
| N16 | C17 | C18 | H16 | 101.6° | 55.0° |
| N16 | C17 | C18 | H17 | 18.8° | 174.9° |
| N16 | C17 | C38 | H19 | 179.0° | 55.0° |
| N16 | C17 | C38 | H20 | 58.2° | 174.9° |
| C38 | C17 | C18 | H18 | 115.8° | 120.0° |
| C38 | C17 | C18 | C19 | 96.0° | 175.0° |
| C38 | C17 | C18 | H16 | 23.8° | 65.0° |
| C38 | C17 | C18 | H17 | 144.2° | 54.9° |
| C17 | C38 | H19 | H20 | 121.1° | 120.0° |
| C38 | C17 | N16 | H26 | 29.3° | 95.0° |
| C34 | C33 | C32 | O31 | 120.9° | 89.9° |
| C34 | C33 | C32 | H1 | 118.6° | 30.0° |
| C34 | C33 | C32 | H2 | 0.4° | 150.0° |
| C33 | C32 | O31 | H1 | 120.5° | 120.0° |
| C33 | C32 | O31 | H2 | 120.5° | 120.0° |
| C33 | C32 | O31 | C29 | 145.7° | 180.0° |
| C33 | C32 | H1 | H2 | 118.5° | 120.0° |
| C32 | C33 | C34 | H4 | 0.2° | 0.1° |
| C17 | C18 | C19 | H16 | 119.8° | 120.1° |
| C17 | C18 | C19 | H17 | 119.8° | 120.0° |
| C17 | C18 | C19 | C20 | 65.2° | 180.0° |
| C17 | C18 | C19 | H14 | 55.4° | 60.0° |
| C17 | C18 | C19 | H15 | 174.1° | 59.9° |
| C17 | C18 | H16 | H17 | 120.7° | 120.0° |
| C18 | C17 | C38 | H19 | 50.4° | 65.0° |
| C18 | C17 | C38 | H20 | 70.4° | 54.9° |
| C18 | C17 | N16 | H26 | 156.0° | 25.0° |
| C32 | O31 | C29 | N28 | 151.9° | 179.7° |
| C32 | O31 | C29 | O30 | 28.8° | 0.0° |
| O31 | C32 | H1 | H2 | 118.6° | 120.0° |
| O31 | C29 | N28 | O30 | 179.2° | 179.7° |
| O31 | C29 | N28 | C20 | 177.4° | 179.7° |
| C29 | O31 | C32 | H1 | 93.8° | 60.0° |
| C29 | O31 | C32 | H2 | 25.3° | 60.0° |
| O31 | C29 | N28 | H5 | 2.6° | 0.2° |
| C18 | C19 | C20 | N28 | 81.4° | 65.0° |
| C18 | C19 | C20 | H14 | 120.7° | 120.0° |
| C18 | C19 | C20 | H15 | 120.7° | 120.1° |
| C18 | C19 | C20 | C21 | 153.0° | 175.0° |
| C18 | C19 | C20 | H6 | 38.4° | 54.9° |
| C18 | C19 | H14 | H15 | 117.9° | 119.9° |
| C19 | C18 | H16 | H17 | 120.7° | 120.0° |
| C19 | C18 | C17 | H18 | 19.8° | 55.0° |
| C29 | N28 | C20 | H5 | 180.0° | 179.9° |
| C29 | N28 | C20 | C19 | 58.6° | 155.0° |
| C29 | N28 | C20 | C21 | 63.1° | 85.1° |
| C29 | N28 | C20 | H6 | 178.0° | 35.0° |
| C20 | N28 | C29 | O30 | 3.4° | 0.0° |
| N28 | C20 | C19 | C21 | 125.6° | 119.9° |
| N28 | C20 | C19 | H6 | 119.7° | 120.0° |
| N28 | C20 | C21 | H6 | 119.3° | 120.0° |
| N28 | C20 | C21 | C22 | 59.3° | 65.0° |
| N28 | C20 | C21 | H7 | 61.4° | 55.0° |
| N28 | C20 | C21 | H8 | 180.0° | 175.0° |
| N28 | C20 | C19 | H14 | 39.3° | 175.0° |
| N28 | C20 | C19 | H15 | 157.9° | 55.0° |
| O30 | C29 | N28 | H5 | 176.6° | 180.0° |
| C19 | C20 | C21 | H6 | 114.6° | 120.1° |
| C19 | C20 | C21 | C22 | 174.7° | 175.0° |
| C19 | C20 | N28 | H5 | 121.4° | 24.9° |
| C19 | C20 | C21 | H7 | 64.6° | 65.0° |
| C19 | C20 | C21 | H8 | 53.9° | 55.0° |
| C20 | C19 | H14 | H15 | 117.9° | 120.0° |
| C20 | C19 | C18 | H16 | 174.9° | 60.0° |
| C20 | C19 | C18 | H17 | 54.5° | 59.9° |
| C20 | C21 | C22 | C23 | 8.9° | 90.3° |
| C20 | C21 | C22 | H7 | 120.7° | 120.0° |
| C20 | C21 | C22 | H8 | 120.7° | 120.0° |
| C20 | C21 | C22 | C27 | 171.5° | 90.0° |
| C21 | C20 | N28 | H5 | 116.9° | 95.0° |
| C20 | C21 | H7 | H8 | 117.8° | 120.0° |
| C21 | C20 | C19 | H14 | 86.3° | 55.0° |
| C21 | C20 | C19 | H15 | 32.3° | 64.9° |
| C24 | C23 | C22 | H13 | 180.0° | 179.4° |
| C23 | C24 | C25 | H12 | 180.0° | 179.6° |
| C24 | C23 | C22 | C21 | 179.5° | 179.7° |
| C24 | C23 | C22 | C27 | 0.1° | 0.6° |
| C23 | C24 | C25 | C26 | 0.3° | 0.4° |
| C23 | C24 | C25 | H11 | 179.7° | 179.7° |
| C22 | C23 | C24 | C25 | 0.3° | 0.6° |
| C23 | C22 | C21 | C27 | 179.5° | 179.7° |
| C23 | C22 | C27 | C26 | 0.2° | 0.3° |
| C23 | C22 | C21 | H7 | 111.8° | 149.7° |
| C23 | C22 | C21 | H8 | 129.7° | 29.7° |
| C23 | C22 | C27 | H9 | 179.8° | 179.7° |
| C22 | C23 | C24 | H12 | 179.7° | 179.8° |
| C24 | C25 | C26 | H11 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.1° |
| C24 | C25 | C26 | H10 | 180.0° | 180.0° |
| C25 | C24 | C23 | H13 | 179.7° | 179.9° |
| C21 | C22 | C27 | C26 | 179.7° | 180.0° |
| C22 | C21 | C20 | H6 | 60.0° | 55.0° |
| C22 | C21 | H7 | H8 | 117.7° | 120.0° |
| C21 | C22 | C27 | H9 | 0.3° | 0.0° |
| C21 | C22 | C23 | H13 | 0.5° | 0.3° |
| C22 | C27 | C26 | C25 | 0.2° | 0.1° |
| C22 | C27 | C26 | H9 | 180.0° | 179.9° |
| C27 | C22 | C21 | H7 | 67.7° | 30.0° |
| C27 | C22 | C21 | H8 | 50.8° | 150.0° |
| C22 | C27 | C26 | H10 | 179.8° | 180.0° |
| C27 | C22 | C23 | H13 | 179.9° | 180.0° |
| C25 | C26 | C27 | H10 | 180.0° | 179.9° |
| C25 | C26 | C27 | H9 | 179.8° | 180.0° |
| C26 | C25 | C24 | H12 | 179.7° | 180.0° |
| C27 | C26 | C25 | H11 | 179.9° | 180.0° |
| H5 | N28 | C20 | H6 | 2.0° | 145.0° |
| H6 | C20 | C21 | H7 | 179.3° | 175.0° |
| H6 | C20 | C21 | H8 | 60.7° | 65.0° |
| H6 | C20 | C19 | H14 | 159.0° | 65.0° |
| H6 | C20 | C19 | H15 | 82.3° | 175.0° |
| H9 | C27 | C26 | H10 | 0.2° | 0.1° |
| H10 | C26 | C25 | H11 | 0.0° | 0.1° |
| H11 | C25 | C24 | H12 | 0.3° | 0.1° |
| H12 | C24 | C23 | H13 | 0.3° | 0.3° |
| H14 | C19 | C18 | H16 | 64.4° | 180.0° |
| H14 | C19 | C18 | H17 | 175.2° | 60.1° |
| H15 | C19 | C18 | H16 | 54.3° | 60.1° |
| H15 | C19 | C18 | H17 | 66.1° | 180.0° |
| H16 | C18 | C17 | H18 | 139.6° | 175.0° |
| H17 | C18 | C17 | H18 | 100.0° | 65.0° |
| H18 | C17 | C38 | H19 | 65.5° | 175.0° |
| H18 | C17 | C38 | H20 | 173.8° | 65.0° |
| H18 | C17 | N16 | H26 | 85.7° | 145.0° |
| H21 | C44 | C43 | H22 | 0.0° | 0.0° |
| H22 | C43 | C42 | H23 | 0.1° | 0.1° |
| H23 | C42 | C41 | H24 | 0.1° | 0.0° |
| H24 | C41 | C40 | H25 | 0.0° | 0.3° |
| H27 | C13 | C45 | H28 | 85.9° | 65.3° |
| H27 | C13 | N12 | H35 | 158.0° | 145.0° |
| H28 | C45 | C47 | H29 | 63.9° | 179.9° |
| H28 | C45 | C47 | H30 | 56.1° | 60.0° |
| H28 | C45 | C47 | H31 | 176.1° | 60.0° |
| H28 | C45 | C46 | H32 | 62.8° | 66.2° |
| H28 | C45 | C46 | H33 | 177.2° | 53.9° |
| H28 | C45 | C46 | H34 | 57.2° | 173.8° |
| H29 | C47 | H30 | H31 | 119.9° | 120.0° |
| H32 | C46 | H33 | H34 | 120.0° | 120.0° |
| H36 | C09 | H37 | H38 | 120.0° | 120.0° |
| H42 | C02 | C03 | H43 | 63.5° | 60.0° |
| H42 | C02 | C03 | H44 | 56.5° | 180.0° |
| H42 | C02 | C03 | H45 | 176.5° | 60.1° |
| H42 | C02 | C01 | H46 | 60.3° | 60.0° |
| H42 | C02 | C01 | H47 | 59.7° | 60.0° |
| H42 | C02 | C01 | H48 | 179.7° | 180.0° |
| H43 | C03 | H44 | H45 | 119.9° | 120.0° |
| H46 | C01 | H47 | H48 | 120.0° | 120.0° |
